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  • Geosciences  (120)
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  • 1
    Electronic Resource
    Electronic Resource
    Springer
    Mathematical geology 6 (1974), S. 291-310 
    ISSN: 1573-8868
    Keywords: data processing ; general geology
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Mathematics
    Notes: Abstract Many sets of data in the natural sciences have a hierarchical structure that is either inherent in the data or that is imposed on them during collection. These data structures can be defined using mathematical set-theory notation. If data from two or more computer-processable files are accessed simultaneously, the application of operations of set union and intersection leads to emergence of certain criteria which must be adhered to when managing data files using a generalized, database management system. One of the situations in which these principles come into play is illustrated by the merging of two computer-processable files of geotechnical data, the data for both files having been derived from the same source but structured differently.
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  • 2
    Publication Date: 2015-10-17
    Description: A bstract The crystal structure of faheyite, ideally Mn 2+ Fe 3+ 2 [Be 2 (PO 4 ) 4 ](H 2 O) 6 , trigonal, a 9.404(7), c 15.920(11) Å, V 1219(2) Å 3 , Z = 3, space group P 3 1 21, has been solved and refined to an R 1 index of 4.4% with single-crystal X-ray diffraction data collected from a twinned fiber. There are two P sites that are tetrahedrally coordinated by O atoms with 〈 P –O〉 distances of 1.52 and 1.54 Å, respectively, one Be site tetrahedrally coordinated by O atoms with a 〈 Be –O〉 distance of 1.63 Å, one Mn site occupied by Mn 2+ coordinated by four O atoms and two (H 2 O) groups with a 〈 Mn –O〉 distance of 2.22 Å, and one Fe site occupied by Fe 3+ coordinated by four O atoms and two (H 2 O) groups with a 〈 Fe –O〉 distance of 2.01 Å. Each vertex of the Be tetrahedron is shared with a vertex of a neighboring P tetrahedron, and two vertices of each P tetrahedron are shared with neighboring Be tetrahedra to form a corner-sharing [Be(PO 4 ) 2 ] chain, with P tetrahedra flanking the Be tetrahedra of the central spine in the sequence - P (1)/ P (1)- Be - P (2)/ P (2)- Be -. Faheyite has a chiral structure, with the [Be(PO 4 ) 2 ] chain twisting about the c -axis in a clockwise direction for the refined P 3 1 21 enantiomer. The Mn octahedron lies along the 3 1 screw axis within the core region of the [Be(PO 4 ) 2 ] chain, forming [MnBe 2 (PO 4 ) 4 ] spires that are wrapped by Fe octahedra that share vertices with P tetrahedra. The crystal structures of fransoletite and parafransoletite also contain beryllophosphate chains topologically identical to that found in faheyite, although the [Be(PO 4 )(PO 3 OH)] chain in fransoletite and parafransoletite is straight, whereas the [Be(PO 4 ) 2 ] chain in faheyite forms a helix about the central c -axis.
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  • 3
    Publication Date: 2016-09-16
    Description: Fontarnauite was discovered in cores recovered from the Kütahya-Emet 2 and 188 (named here as Doğanlar) boreholes drilled in the Emet borate basin near the village of Doğanlar, Kütahya Province, Western Anatolia, Turkey. The Emet (or Emet-Hisarcık) basin is one of the Neogene basins in western Turkey bearing a borate-rich unit intercalated with Miocene sediments. Fontarnauite is most commonly associated with probertite, glauberite, and celestine and occurs as isolated colorless to light-brown prismatic crystals or as clusters of crystals less than 5 mm long. Fontarnauite is brittle, with a Mohs hardness of 21/2–3, and perfect {010} cleavage. D calc = 2.533 g/cm 3 . The new mineral is optically biaxial (–), α 1.517(2), β 1.539(2), 1.543(2) (590 nm); 2 V meas = 46(1)°; 2 V calc = 46°; X ^ a 95.0° (β obtuse); Y // b , Z ^ c 81.9° (β acute). Dispersion is r 〉 v , medium to weak. The chemical composition (electron microprobe; B and H from the crystal-structure refinement) is as follows: SO 3 17.75, B 2 O 3 38.66, CaO 2.26, SrO 18.98, Na 2 O 12.65, K 2 O 1.70, H 2 O 10.01, total 102.01 wt.%. The empirical formula (based on 15 O atoms per formula unit) is (Na 1.84 K 0.16 ) 2.00 (Sr 0.82 Ca 0.18 ) 1.00 S 1.00 B 5 H 5 O 15 ; the endmember formula is Na 2 Sr(SO 4 ) [B 5 O 8 (OH)](H 2 O) 2 based on the crystal-structure refinement. Single-crystal X-ray studies gave the space group P 2 1 /c, a 6.458(2), b 22.299(7), c 8.571(2) Å, β 103.047(13)°, V 1202.5(1.0) Å 3 , Z = 4. Structure refinement ( R 1 = 2.9%) revealed that two BO 4 tetrahedra and three BO 3 triangles share vertices to form B 5 O 10 (OH) units that link to other B 5 O 10 (OH) units along [100] and [001] to give a [B 5 O 8 (OH)] sheet parallel to (010). Within the central cavities of opposing sheets are the H 2 O groups, SO 4 tetrahedra, and Na (1) sites; the Sr and Na (2) sites occupy the interstices of a given sheet. The region of the structure where opposing cusps of neighboring sheets approach each other is dominated by weaker H-bonding associated with the OH and H 2 O groups, in accord with the observed perfect {010} cleavage. The strongest lines in the powder X-ray diffraction pattern, obtained after profile fitting using the Le Bail method, are as follows [ d in Å ( I ) ( hkl )]: 11.1498 (100)(020), 3.3948 (8)(061), 3.3389 (20)(042), 3.1993, 3.1990 (10)(160, 1 42), 3.0458(10)(052), 3.0250(7)(220), 2.7500 (10)( 2 22,142), 2.3999 (8)(260), 2.2300, 2.2284(7)(0 10 0,222), 1.9241, 1.9237(7)(311, 2 24). The holotype is deposited in the mineralogy collection of the Royal Ontario Museum, 100 Queen's Park, Toronto, Ontario M5S 2C6, Canada, accession number M56745.
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  • 4
    Publication Date: 2012-12-06
    Description: Laurentianite, [NbO(H 2 O)] 3 (Si 2 O 7 ) 2 [Na(H 2 O) 2 ] 3 , is a new mineral discovered in siderite-dominant pods in an altered syenite at the Poudrette quarry, Mont Saint-Hilaire, Quebec. Crystals are colorless, acicular, euhedral, and elongate along [001] with average dimensions of 0.012 x 0.012 x 0.25 mm. The mineral generally occurs in loose, randomly oriented groupings (‘nests’) of crystals. Associated minerals include quartz, pyrite, franconite, rutile, lepidochrocite, and an unidentified Fe-bearing mineral. Laurentianite is transparent to translucent with a vitreous luster and is non-fluorescent under long-, medium-, and short-wave radiation. The Mohs hardness could not be measured owing to the small size of the crystals. No partings or cleavages were observed, although crystals do exhibit a splintery fracture. The calculated density is 2.464 g/cm 3 . Laurentianite is nonpleochroic and uniaxial negative, with 1.612(2) and 1.604(2). The average of 12 analyses from several crystals is: Na 2 O 8.88 (4.54–12.80), K 2 O 0.26 (0.14–0.44), CaO 0.22 (0.10–0.43), TiO 2 0.58 (0.31–0.83), Nb 2 O 5 43.64 (36.43–49.90), SiO 2 26.87 (22.81–29.07), and H 2 O (calc.) 17.93, total 98.38 wt.% on the basis of 26 anions, corresponding to [(Nb 0.99 Ti 0.01 ) 1.00 O(H 2 O)] 3 (Si 2.00 O 7 ) 2 [(Na 0.86 0.10 K 0.02 Ca 0.01 ) 0.99 (H 2 O) 2 ] 3 or, ideally, [NbO(H 2 O)] 3 (Si 2 O 7 ) 2 [Na(H 2 O) 2 ] 3 . The presence of H 2 O in laurentianite is inferred from Raman spectroscopy and results from refinement of the crystal structure. The mineral crystallizes in space group P 3 (#143) with a 9.937(1), c 7.004(1) Å, V 599.0(1) Å 3 , and Z = 1. The strongest six lines on the X-ray powder-diffraction pattern [ d in Å (I) ( hkl )] are: 8.608 (100) (010), 7.005 (19) (001), 4.312 (25) (020), 3.675 (25) (201, 021), 3.260 (31) (120, 210), and 2.870 (20) (030). The crystal structure of laurentianite, refined to R = 2.78% for 2347 reflections ( F o 〉 4 F o ) contains one Na , two Nb , and four Si sites. The two Nb sites are coordinated in distorted Nb O 5 (H 2 O) octahedra, with four equatorial bonds of typical Nb–O bond distances (~2 Å) and two highly asymmetric ones (one long, ~2.5 Å and one short, ~1.8 Å). Each site is each only partially occupied (~50%) and because of the short distance between them (~0.7 Å), they are not simultaneously occupied. A novel cation-anion coordination scheme involving the apical oxygens, Nb, and disordered H 2 O groups is developed: when one of the Nb sites is occupied, the other is vacant, resulting in one of the apical O sites being occupied by O 2– and the other by H 2 O. The opposite situation occurs when the occupancy and vacancy of the Nb sites are reversed, leading to both apical O sites having an equal, mixed (O 2– /H 2 O) composition. A minor charge understaturation at both apical O sites is remedied by each of these O sites receiving a single H-bond from one of the H 2 O groups associated with the Na cation. The crystal structure of laurentianite is based on five-membered pinwheels of composition [Nb 3 Si 2 O 17 (H 2 O) 3 ] –11 , consisting of three Nb O 5 (H 2 O) octahedra linked to two SiO 4 tetrahedra. Individual Nb–Si pinwheels are attached to form a layer composed of 18-membered rings of composition [Nb 6 Si 12 O 54 (H 2 O) 6 ] 30– perpendicular to [001]. The crystal structure is also layered along [001], with a silicate layer composed of (Si 2 O 7 ) dimers and a layer of isolated Nb O 5 (H 2 O) octahedra. Sodium atoms are positioned within the silicate layer, occupying sites that almost directly overly the Nb sites but are displaced ~ z + 1/2. Laurentianite is a late-stage mineral intergrown with lepidocrocite, both of which overgrow franconite and quartz. The mineral is believed to have precipitated from a late-stage aqueous fluid enriched in Na, Si, and Nb, possibly arising through the breakdown of franconite, sodalite, and quartz.
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  • 5
    Publication Date: 2012-06-01
    Description: Krásnoite is a new mineral (IMA2011-040) from the Huber open pit, Krásno ore district, Czech Republic and the Silver Coin mine, Nevada, USA. Krásnoite is the fluorophosphate analogue of perhamite. Krásnoite occurs as compact to finely crystalline aggregates, balls and rosette-like clusters up to 1 mm across. Individual crystals are platy, show a hexagonal outline and can reach 0.1 mm on edge at Krásno and 0.4 mm at Silver Coin. At both localities, krásnoite occurs very late in phosphaterich paragenetic sequences. Krásnoite crystals are partly transparent with a typically pearly lustre, but can also appear greasy (Krásno) or dull (Silver Coin). The streak is white and the hardness is 5 on the Mohs scale. Crystals are brittle, have an irregular fracture, one imperfect cleavage on {001} and are not fluorescent under SW and LW ultraviolet light. Penetration twinning ⊥ {001} is common. The density for both Krásno and Silver Coin material is 2.48(4) g cm−3, measured by the sink–float method in an aqueous solution of sodium polytungstate. The calculated density is 2.476 g cm−3 (Krásno). Krásnoite crystals are uniaxial (+), with ω = 1.548(2) and ϵ = 1.549(2) (Krásno) and ω = 1.541(1) and ϵ = 1.543(1) (Silver Coin). The simplified formula of krásnoite is: Ca3Al7.7Si3P4O23.5(OH)12.1F2·8H2O. Krásnoite is trigonal, space group P3İm1, with a = 6.9956(4), c = 20.200(2) Å, V = 856.09(9) Å3 and Z = 3. Raman and infrared spectroscopy, coupled with magic-angle spinning nuclear magnetic resonance (MAS–NMR) spectrometry, confirmed the presence of PO3F, PO4, SiO4, H2O and OH in the crystal structure of krásnoite.
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  • 6
    Publication Date: 2012-02-01
    Description: Davidlloydite, ideally Zn3(AsO4)2(H2O)4, is a new supergene mineral from the Tsumeb mine, Otjikoto (Oshikoto) region, Namibia. It occurs as elongated prisms (~10:1 length-to-width ratio) that are flattened on {010}, and up to 100 × 20 × 10 µm in size. The crystals occur as aggregates (up to 500 µm across) of subparallel to slightly diverging prisms lying partly on and partly embedded in fine-grained calcioandyrobertsite. Crystals are prismatic along [001] and flattened on {010}, and show the forms {010} dominant and {100} subsidiary. Davidlloydite is colourless with a white streak and a vitreous lustre; it does not fluoresce under ultraviolet light. The cleavage is distinct on {010}, and no parting or twinning was observed. The Mohs hardness is 3–4. Davidlloydite is brittle with an irregular to hackly fracture. The calculated density is 3.661 g cm -3. Optical properties were measured with a Bloss spindle stage for the wavelength 590 nm using a gel filter. The indices of refraction are a = 1.671, ß = 1.687, ? = 1.695, all ±0.002; the calculated birefringence is 0.024; 2Vobs = 65.4(6)°, 2Vcalc = 70°; the dispersion is r 〈 v, weak; pleochroism was not observed. Davidlloydite is triclinic, space group P1I, with a = 5.9756(4), b = 7.6002(5), c = 5.4471(4) Å, a = 84.2892(9), ß = 90.4920(9), ? = 87.9958(9)°, V = 245.99(5) Å3, Z = 1 and a:b:c = 0.7861:1:0.7167. The seven strongest lines in the X-ray powder diffraction pattern [listed as d (Å), I, (hkl)] are as follows: 4.620, 100, (011, 1I10); 7.526, 71, (010); 2.974, 49, (200, 022I); 3.253, 40, (021, 120); 2.701, 39, (2I10, 002, 1I2I1); 5.409, 37, (001); 2.810, 37, (210). Chemical analysis by electron microprobe gave As2O5 43.03, ZnO 37.95, CuO 5.65, H2O(calc) 13.27, sum 99.90 wt.%. The H2O content and the valence state of As were determined by crystal structure analysis. On the basis of 12 anions with H2O = 4 a.p.f.u., the empirical formula is (Zn2.53Cu0.39)S2.92As2.03O8(H2O)4.The crystal structure of davidlloydite was solved by direct methods and refined to an R1 index of 1.51% based on 1422 unique observed reflections collected on a three-circle rotating-anode (MoKa radiation) diffractometer equipped with multilayer optics and an APEX-II detector. In the structure of davidlloydite, sheets of corner-sharing (As5+O4) and (ZnO4) tetrahedra are linked by ZnO2(H2O)4 octahedra. The structure is related to that of parahopeite.
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  • 7
    Publication Date: 2012-02-01
    Description: Carlosbarbosaite, ideally (UO2)2Nb2O6(OH)2·2H2O, is a new mineral which occurs as a late cavity filling in albite in the Jaguaraçu pegmatite, Jaguaraçu municipality, Minas Gerais, Brazil. The name honours Carlos do Prado Barbosa (1917–2003). Carlosbarbosaite forms long flattened lath-like crystals with a very simple orthorhombic morphology. The crystals are elongated along [001] and flattened on (100); they are up to 120 µm long and 2–5 µm thick. The colour is cream to pale yellow, the streak yellowish white and the lustre vitreous. The mineral is transparent (as individual crystals) to translucent (massive). It is not fluorescent under either long-wave or short-wave ultraviolet radiation. Carlosbarbosaite is biaxial(+) with a = 1.760(5), ß = 1.775(5), ? = 1.795(5), 2Vmeas. = 70(1)°, 2Vcalc. = 83°. The orientation is X ? a, Y ? b, Z ? c. Pleochroism is weak, in yellowish green shades, which are most intense in the Z direction. Two samples were analysed. For sample 1, the composition is: UO3 54.52, CaO 2.07, Ce2O3 0.33, Nd2O3 0.49, Nb2O5 14.11, Ta2O5 15.25, TiO2 2.20, SiO2 2.14, Fe2O3 1.08, Al2O3 0.73, H2O (calc.) 11.49, total 104.41 wt.%; the empirical formula is (?0.68Ca0.28Nd0.02Ce0.02)?=1.00[U1.44?0.56O2.88(H2O)1.12](Nb0.80Ta0.52Si0.27Ti0.21Al0.11Fe0.10)?=2.01 O4.72(OH)3.20(H2O)2.08. For sample 2, the composition is: UO3 41.83, CaO 2.10, Ce2O3 0.31, Nd2O3 1.12, Nb2O5 14.64, Ta2O5 16.34, TiO2 0.95, SiO2 3.55, Fe2O3 0.89, Al2O3 0.71, H2O (calc.) 14.99, total 97.43 wt.%; the empirical formula is (?0.67Ca0.27Nd0.05Ce0.01)?=1.00[U1.04?0.96O2.08(H2O)1.92] (Nb0.79Ta0.53Si0.42Ti0.08Al0.10Fe0.08)?=2.00O4.00(OH)3.96(H2O)2.04. The ideal endmember formula is (UO2)2Nb2O6(OH)2·2H2O. Calculated densities are 4.713 g cm-3 (sample 1) and 4.172 g cm-3 (sample 2). Infrared spectra show that both (OH) and H2O are present. The strongest eight X-ray powder-diffraction lines [listed as d in Å(I)(hkl)] are: 8.405(8)(110), 7.081(10)(200), 4.201(9)(220), 3.333(6)(202), 3.053(8)(022), 2.931(7)(420), 2.803(6)(222) and 2.589(5)(040,402). The crystal structure was solved using single-crystal X-ray diffraction (R = 0.037) which gave the following data: orthorhombic, Cmcm, a = 14.150(6), b = 10.395(4), c = 7.529(3) Å, V = 1107(1) Å3, Z = 4. The crystal structure contains a single U site with an appreciable deficiency in electron scattering, which is populated by U atoms and vacancies. The U site is surrounded by seven O atoms in a pentagonal bipyramidal arrangement. The Nb site is coordinated by four O atoms and two OH groups in an octahedral arrangement. The half-occupied tunnel Ca site is coordinated by four O atoms and four H2O groups. Octahedrally coordinated Nb polyhedra share edges and corners to form Nb2O6(OH)2 double chains, and edge-sharing pentagonal bipyramidal U polyhedra form UO5 chains. The Nb2O6(OH)2 and UO5 chains share edges to form an open U–Nb–F framework with tunnels along [001] that contain Ca(H2O)4 clusters. Carlosbarbosaite is closely related to a family of synthetic U–Nb–O framework tunnel structures, it differs in that is has an (OH)-bearing framework and Ca(H2O)4 tunnel occupant. The structure of carlosbarbosaite resembles that of holfertite.
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  • 8
    Publication Date: 2012-02-01
    Description: Carlosbarbosaite, ideally (UO2)2Nb2O6(OH)2·2H2O, is a new mineral which occurs as a late cavity filling in albite in the Jaguaraçu pegmatite, Jaguaraçu municipality, Minas Gerais, Brazil. The name honours Carlos do Prado Barbosa (1917–2003). Carlosbarbosaite forms long flattened lath-like crystals with a very simple orthorhombic morphology. The crystals are elongated along [001] and flattened on (100); they are up to 120 µm long and 2–5 µm thick. The colour is cream to pale yellow, the streak yellowish white and the lustre vitreous. The mineral is transparent (as individual crystals) to translucent (massive). It is not fluorescent under either long-wave or short-wave ultraviolet radiation. Carlosbarbosaite is biaxial(+) with a = 1.760(5), ß = 1.775(5), ? = 1.795(5), 2Vmeas. = 70(1)°, 2Vcalc. = 83°. The orientation is X ? a, Y ? b, Z ? c. Pleochroism is weak, in yellowish green shades, which are most intense in the Z direction. Two samples were analysed. For sample 1, the composition is: UO3 54.52, CaO 2.07, Ce2O3 0.33, Nd2O3 0.49, Nb2O5 14.11, Ta2O5 15.25, TiO2 2.20, SiO2 2.14, Fe2O3 1.08, Al2O3 0.73, H2O (calc.) 11.49, total 104.41 wt.%; the empirical formula is (?0.68Ca0.28Nd0.02Ce0.02)?=1.00[U1.44?0.56O2.88(H2O)1.12](Nb0.80Ta0.52Si0.27Ti0.21Al0.11Fe0.10)?=2.01 O4.72(OH)3.20(H2O)2.08. For sample 2, the composition is: UO3 41.83, CaO 2.10, Ce2O3 0.31, Nd2O3 1.12, Nb2O5 14.64, Ta2O5 16.34, TiO2 0.95, SiO2 3.55, Fe2O3 0.89, Al2O3 0.71, H2O (calc.) 14.99, total 97.43 wt.%; the empirical formula is (?0.67Ca0.27Nd0.05Ce0.01)?=1.00[U1.04?0.96O2.08(H2O)1.92] (Nb0.79Ta0.53Si0.42Ti0.08Al0.10Fe0.08)?=2.00O4.00(OH)3.96(H2O)2.04. The ideal endmember formula is (UO2)2Nb2O6(OH)2·2H2O. Calculated densities are 4.713 g cm-3 (sample 1) and 4.172 g cm-3 (sample 2). Infrared spectra show that both (OH) and H2O are present. The strongest eight X-ray powder-diffraction lines [listed as d in Å(I)(hkl)] are: 8.405(8)(110), 7.081(10)(200), 4.201(9)(220), 3.333(6)(202), 3.053(8)(022), 2.931(7)(420), 2.803(6)(222) and 2.589(5)(040,402). The crystal structure was solved using single-crystal X-ray diffraction (R = 0.037) which gave the following data: orthorhombic, Cmcm, a = 14.150(6), b = 10.395(4), c = 7.529(3) Å, V = 1107(1) Å3, Z = 4. The crystal structure contains a single U site with an appreciable deficiency in electron scattering, which is populated by U atoms and vacancies. The U site is surrounded by seven O atoms in a pentagonal bipyramidal arrangement. The Nb site is coordinated by four O atoms and two OH groups in an octahedral arrangement. The half-occupied tunnel Ca site is coordinated by four O atoms and four H2O groups. Octahedrally coordinated Nb polyhedra share edges and corners to form Nb2O6(OH)2 double chains, and edge-sharing pentagonal bipyramidal U polyhedra form UO5 chains. The Nb2O6(OH)2 and UO5 chains share edges to form an open U–Nb–F framework with tunnels along [001] that contain Ca(H2O)4 clusters. Carlosbarbosaite is closely related to a family of synthetic U–Nb–O framework tunnel structures, it differs in that is has an (OH)-bearing framework and Ca(H2O)4 tunnel occupant. The structure of carlosbarbosaite resembles that of holfertite.
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  • 9
    Publication Date: 2012-02-01
    Description: Davidlloydite, ideally Zn3(AsO4)2(H2O)4, is a new supergene mineral from the Tsumeb mine, Otjikoto (Oshikoto) region, Namibia. It occurs as elongated prisms (~10:1 length-to-width ratio) that are flattened on {010}, and up to 100 × 20 × 10 µm in size. The crystals occur as aggregates (up to 500 µm across) of subparallel to slightly diverging prisms lying partly on and partly embedded in fine-grained calcioandyrobertsite. Crystals are prismatic along [001] and flattened on {010}, and show the forms {010} dominant and {100} subsidiary. Davidlloydite is colourless with a white streak and a vitreous lustre; it does not fluoresce under ultraviolet light. The cleavage is distinct on {010}, and no parting or twinning was observed. The Mohs hardness is 3–4. Davidlloydite is brittle with an irregular to hackly fracture. The calculated density is 3.661 g cm -3. Optical properties were measured with a Bloss spindle stage for the wavelength 590 nm using a gel filter. The indices of refraction are a = 1.671, ß = 1.687, ? = 1.695, all ±0.002; the calculated birefringence is 0.024; 2Vobs = 65.4(6)°, 2Vcalc = 70°; the dispersion is r 〈 v, weak; pleochroism was not observed. Davidlloydite is triclinic, space group P1I, with a = 5.9756(4), b = 7.6002(5), c = 5.4471(4) Å, a = 84.2892(9), ß = 90.4920(9), ? = 87.9958(9)°, V = 245.99(5) Å3, Z = 1 and a:b:c = 0.7861:1:0.7167. The seven strongest lines in the X-ray powder diffraction pattern [listed as d (Å), I, (hkl)] are as follows: 4.620, 100, (011, 1I10); 7.526, 71, (010); 2.974, 49, (200, 022I); 3.253, 40, (021, 120); 2.701, 39, (2I10, 002, 1I2I1); 5.409, 37, (001); 2.810, 37, (210). Chemical analysis by electron microprobe gave As2O5 43.03, ZnO 37.95, CuO 5.65, H2O(calc) 13.27, sum 99.90 wt.%. The H2O content and the valence state of As were determined by crystal structure analysis. On the basis of 12 anions with H2O = 4 a.p.f.u., the empirical formula is (Zn2.53Cu0.39)S2.92As2.03O8(H2O)4.The crystal structure of davidlloydite was solved by direct methods and refined to an R1 index of 1.51% based on 1422 unique observed reflections collected on a three-circle rotating-anode (MoKa radiation) diffractometer equipped with multilayer optics and an APEX-II detector. In the structure of davidlloydite, sheets of corner-sharing (As5+O4) and (ZnO4) tetrahedra are linked by ZnO2(H2O)4 octahedra. The structure is related to that of parahopeite.
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  • 10
    Publication Date: 2012-02-01
    Description: Carlosbarbosaite, ideally (UO2)2Nb2O6(OH)2·2H2O, is a new mineral which occurs as a late cavity filling in albite in the Jaguaraçu pegmatite, Jaguaraçu municipality, Minas Gerais, Brazil. The name honours Carlos do Prado Barbosa (1917–2003). Carlosbarbosaite forms long flattened lath-like crystals with a very simple orthorhombic morphology. The crystals are elongated along [001] and flattened on (100); they are up to 120 µm long and 2–5 µm thick. The colour is cream to pale yellow, the streak yellowish white and the lustre vitreous. The mineral is transparent (as individual crystals) to translucent (massive). It is not fluorescent under either long-wave or short-wave ultraviolet radiation. Carlosbarbosaite is biaxial(+) with a = 1.760(5), ß = 1.775(5), ? = 1.795(5), 2Vmeas. = 70(1)°, 2Vcalc. = 83°. The orientation is X ? a, Y ? b, Z ? c. Pleochroism is weak, in yellowish green shades, which are most intense in the Z direction. Two samples were analysed. For sample 1, the composition is: UO3 54.52, CaO 2.07, Ce2O3 0.33, Nd2O3 0.49, Nb2O5 14.11, Ta2O5 15.25, TiO2 2.20, SiO2 2.14, Fe2O3 1.08, Al2O3 0.73, H2O (calc.) 11.49, total 104.41 wt.%; the empirical formula is (?0.68Ca0.28Nd0.02Ce0.02)?=1.00[U1.44?0.56O2.88(H2O)1.12](Nb0.80Ta0.52Si0.27Ti0.21Al0.11Fe0.10)?=2.01 O4.72(OH)3.20(H2O)2.08. For sample 2, the composition is: UO3 41.83, CaO 2.10, Ce2O3 0.31, Nd2O3 1.12, Nb2O5 14.64, Ta2O5 16.34, TiO2 0.95, SiO2 3.55, Fe2O3 0.89, Al2O3 0.71, H2O (calc.) 14.99, total 97.43 wt.%; the empirical formula is (?0.67Ca0.27Nd0.05Ce0.01)?=1.00[U1.04?0.96O2.08(H2O)1.92] (Nb0.79Ta0.53Si0.42Ti0.08Al0.10Fe0.08)?=2.00O4.00(OH)3.96(H2O)2.04. The ideal endmember formula is (UO2)2Nb2O6(OH)2·2H2O. Calculated densities are 4.713 g cm-3 (sample 1) and 4.172 g cm-3 (sample 2). Infrared spectra show that both (OH) and H2O are present. The strongest eight X-ray powder-diffraction lines [listed as d in Å(I)(hkl)] are: 8.405(8)(110), 7.081(10)(200), 4.201(9)(220), 3.333(6)(202), 3.053(8)(022), 2.931(7)(420), 2.803(6)(222) and 2.589(5)(040,402). The crystal structure was solved using single-crystal X-ray diffraction (R = 0.037) which gave the following data: orthorhombic, Cmcm, a = 14.150(6), b = 10.395(4), c = 7.529(3) Å, V = 1107(1) Å3, Z = 4. The crystal structure contains a single U site with an appreciable deficiency in electron scattering, which is populated by U atoms and vacancies. The U site is surrounded by seven O atoms in a pentagonal bipyramidal arrangement. The Nb site is coordinated by four O atoms and two OH groups in an octahedral arrangement. The half-occupied tunnel Ca site is coordinated by four O atoms and four H2O groups. Octahedrally coordinated Nb polyhedra share edges and corners to form Nb2O6(OH)2 double chains, and edge-sharing pentagonal bipyramidal U polyhedra form UO5 chains. The Nb2O6(OH)2 and UO5 chains share edges to form an open U–Nb–F framework with tunnels along [001] that contain Ca(H2O)4 clusters. Carlosbarbosaite is closely related to a family of synthetic U–Nb–O framework tunnel structures, it differs in that is has an (OH)-bearing framework and Ca(H2O)4 tunnel occupant. The structure of carlosbarbosaite resembles that of holfertite.
    Print ISSN: 0026-461X
    Electronic ISSN: 1471-8022
    Topics: Geosciences
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