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  • 1
    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.
    Print ISSN: 0008-4476
    Topics: Geosciences
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  • 2
    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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  • 3
    Publication Date: 2016-02-27
    Description: Motivation: The recently released Oxford Nanopore MinION sequencing platform presents many innovative features opening up potential for a range of applications not previously possible. Among these features, the ability to sequence in real-time provides a unique opportunity for many time-critical applications. While many software packages have been developed to analyze its data, there is still a lack of toolkits that support the streaming and real-time analysis of MinION sequencing data. Results: We developed npReader, an open-source software package to facilitate real-time analysis of MinION sequencing data. npReader can simultaneously extract sequence reads and stream them to downstream analysis pipelines while the samples are being sequenced on the MinION device. It provides a command line interface for easy integration into a bioinformatics work flow, as well as a graphical user interface which concurrently displays the statistics of the run. It also provides an application programming interface for development of streaming algorithms in order to fully utilize the extent of nanopore sequencing potential. Availability and implementation: npReader is written in Java and is freely available at https://github.com/mdcao/npReader . Contact: m.cao1@uq.edu.au or l.coin@imb.uq.edu.au
    Print ISSN: 1367-4803
    Electronic ISSN: 1460-2059
    Topics: Biology , Computer Science , Medicine
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  • 4
    Publication Date: 2015-03-12
    Description: The new mineral species barlowite, ideally Cu 4 FBr(OH) 6 , has been found at the Great Australia mine, Cloncurry, Queensland, Australia. It is the Br and F analogue of claringbullite. Barlowite forms thin blue, platy, hexagonal crystals up to 0.5 mm wide in a cuprite-quartz-goethite matrix associated with gerhardtite and brochantite. Crystals are transparent to translucent with a vitreous lustre. The streak is sky blue. The Mohs hardness is 2–2.5. The tenacity is brittle, the fracture is irregular and there is one perfect cleavage on {001}. Density could not be measured; the mineral sinks in the heaviest liquid available, diluted Clerici solution ( D 3.8 g/cm 3 ). The density calculated from the empirical formula is 4.21 g/cm 3 . Crystals are readily soluble in cold dilute HCl. The mineral is optically non-pleochroic and uniaxial (–). The following optical constants measured in white light vary slightly suggesting a small variation in the proportions of F, Cl and Br: 1.840(4)–1.845(4) and 1.833(4)–1.840(4). The empirical formula, calculated on the basis of 18 oxygen atoms and H 2 O calculated to achieve 8 anions and charge balance, is Cu 4.00 F 1.11 Br 0.95 Cl 0.09 (OH) 5.85 . Barlowite is hexagonal, space group P 6 3 / mmc , a = 6.6786(2), c = 9.2744(3) Å, V = 358.251(19) Å 3 , Z = 2. The five strongest lines in the powder X-ray diffraction pattern are [ d (Å)( I )( hkl )]: 5.790(100)(010); 2.889(40)(020); 2.707(55)(112); 2.452(40)(022); 1.668(30)(220).
    Print ISSN: 0026-461X
    Electronic ISSN: 1471-8022
    Topics: Geosciences
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  • 5
    Publication Date: 2015-03-26
    Description: A bstract The crystal structure of mammothite, Pb 6 Cu 4 AlSbO 2 (SO 4 ) 2 Cl 4 (OH) 16 , is monoclinic in acentric space group C 2, with a 18.959(4), b 7.3398(19), c 11.363(3) Å, β 112.428(9){ring}, V 1461.6(1.0) Å 3 , and Z = 2. It has been refined to an R index of 0.019 on the basis of 3878 observed reflections. There are three crystallographically distinct Pb sites with two different co-ordinations: [Pb1O 8 Cl 1 ] is a mono-capped square antiprism polyhedron, while [Pb21O 7 Cl 2 ] and [Pb22O 7 Cl 2 ] are tri-capped trigonal prisms. Both Cu 2+ sites have distorted [4 + 2] octahedral coordination due to the Jahn-Teller effect. The Al and Sb sites are regular-octahedral co-ordination with oxygen atoms. The [SO 4 ] tetrahedron is quite distorted, with S–O bond lengths varying from 1.45 to 1.52 Å and subtended O–S–O angles varying from 106 to 113{ring}. In the structure there are eight (OH) – anions. All eight H atoms pfu were located, and it is these structure sites that reduce the symmetry from centric to acentric. Although mammothite is classified as a framework structure, it has a distinct layering. There are two layer types in the mammothite structure that parallel (001). There are three octahedrally coordinated sites; two are occupied by Cu atoms and one by an Al atom, in the octahedral layer. The tetragonal dipyramids [CuØ 6 ] are linked forming ‘olivine-like’ chains parallel to the b -axis. The second layer, termed the cross-linked layer, has three [PbØ 9 ] polyhedra with shared edges forming chains parallel to the b -axis, like the [CuØ 6 ] tetragonal dipyramids. These chains are cross-linked by edge-sharing [SbO 6 ] octahedra and decorated with [SO 4 ] groups. The H atoms are in ‘holes’ within both layers.
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  • 6
    Publication Date: 2019
    Description: 〈p〉The margins to evolving orogenic belts experience near layer-parallel contraction that can evolve into fold–thrust belts. Developing cross-section-scale understanding of these systems necessitates structural interpretation. However, over the past several decades a false distinction has arisen between some forms of so-called fault-related folding and buckle folding. We investigate the origins of this confusion and seek to develop unified approaches for interpreting fold–thrust belts that incorporate deformation arising both from the amplification of buckling instabilities and from localized shear failures (thrust faults). Discussions are illustrated using short case studies from the Bolivian Subandean chain (Incahuasi anticline), the Canadian Cordillera (Livingstone anticlinorium) and Subalpine chains of France and Switzerland. Only fault–bend folding is purely fault-related and other forms, such as fault-propagation and detachment folds, all involve components of buckling. Better integration of understanding of buckling processes, the geometries and structural evolutions that they generate may help to understand how deformation is distributed within fold–thrust belts. It may also reduce the current biases engendered by adopting a narrow range of idealized geometries when constructing cross-sections and evaluating structural evolution in these systems.〈/p〉
    Print ISSN: 0375-6440
    Electronic ISSN: 2041-4927
    Topics: Geosciences
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  • 7
    Publication Date: 2019
    Description: 〈p〉Where primary porosity and permeability of a rock are unfavourable for hydrocarbon production, fractures can improve reservoir potential by enhancing permeability. Higher fracture intensity may create a better-connected fracture network, improving fractured-reservoir quality. Investigations into the controls on fracture intensity commonly conclude that either structural or lithological factors have the greatest influence on fracture abundance. We use the Swift Reservoir Anticline in northwestern Montana to investigate how fracture intensity varies throughout the structure and determine that although structural factors do influence fracture intensity, lithology is the main control at outcrop.〈/p〉 〈p〉The Swift Reservoir Anticline exposes bedding surfaces of the Mississippian Castle Reef Formation dolomite. Field data indicates that fracture intensity is highest in the fold forelimb, decreasing into the backlimb except in outcrops of coarse dolomite where fracture intensity is low, regardless of structural position. Field fracture intensity correlates with whole-rock quartz, kaolinite and porosity percentages. We suggest porosity and composition influence bulk-rock mechanical properties, which, in turn, control the fracture intensity at outcrop. Fracture intensity has a stronger relationship with lithological than structural factors, therefore we suggest that the key to predicting fracture intensity in the subsurface here is understanding how lithology varies spatially.〈/p〉
    Print ISSN: 0375-6440
    Electronic ISSN: 2041-4927
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  • 8
    Publication Date: 2017-06-02
    Description: Zoned crystals of carbocernaite occur in hydrothermally reworked burbankite-fluorapatite-bearing calcite carbonatite at Bear Lodge, Wyoming. The mineral is paragenetically associated with pyrite, strontianite, barite, ancylite-(Ce), and late-stage calcite, and is interpreted to have precipitated from sulfate-bearing fluids derived from an external source and enriched in Na, Ca, Sr, Ba, and rare-earth elements (REE) through dissolution of the primary calcite and burbankite. The crystals of carbocernaite show a complex juxtaposition of core-rim, sectoral, and oscillatory zoning patterns arising from significant variations in the content of all major cations, which can be expressed by the empirical formula (Ca 0.43–0.91 Sr 0.40–0.69 REE 0.18–0.59 Na 0.18–0.53 Ba 0–0.08 ) 1.96–2.00 (CO 3 ) 2 . Interelement correlations indicate that the examined crystals can be viewed as a solid solution between two hypothetical end-members, CaSr(CO 3 ) 2 and NaREE(CO 3 ) 2 , with the most Na-REE-rich areas in pyramidal (morphologically speaking) growth sectors representing a probable new mineral species. Although the Bear Lodge carbocernaite is consistently enriched in light REE relative to heavy REE and Y (chondrite-normalized La/Er = 500–4200), the pyramidal sectors exhibit a greater degree of fractionation between these two groups of elements relative to their associated prismatic sectors. A sample approaching the solid-solution midline [(Ca 0.57 Na 0.42 ) 0.99 (Sr 0.50 REE 0.47 Ba 0.01 ) 0.98 (CO 3 ) 2 ] was studied by single-crystal X-ray diffraction and shown to have a monoclinic symmetry [space group P 11 m , a = 6.434(4), b = 7.266(5), c = 5.220(3) Å, = 89.979(17)°, Z = 2] as opposed to the orthorhombic symmetry (space group Pb 2 1 m ) proposed in earlier studies. The symmetry reduction is due to partial cation order in sevenfold-coordinated sites occupied predominantly by Ca and Na, and in tenfold-coordinated sites hosting Sr, REE, and Ba. The ordering also causes splitting of carbonate vibrational modes at 690–740 and 1080–1100 cm –1 in Raman spectra. Using Raman micro-spectroscopy, carbocernaite can be readily distinguished from burbankite- and ancylite-group carbonates characterized by similar energy-dispersive spectra.
    Print ISSN: 0003-004X
    Electronic ISSN: 1945-3027
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  • 9
    Publication Date: 2017-07-13
    Description: Hydroxylgugiaite, ideally (Ca 3 1 ) 4 (Si 3.5 Be 2.5 ) 6 O 11 (OH) 3 , is a new mineral species from two localities in the Larvik plutonic complex in Porsgrunn, Telemark, Norway, and one locality in Ilímaussaq, Greenland. Hydroxylgugiaite crystals occur as squat dipyramids {111} (30 x 50 μm) or as elongate tetragonal prisms. The crystals are translucent, white to pale grey in color, with a white streak and vitreous luster. It is brittle, with no apparent cleavage. Hydroxylgugiaite is uniaxial positive with = 1.622 ± 0.002 and = 1.632 ± 0.002. There is no pleochroism and birefringence is low. The average of eight analyses of a single grain of type material (oxide wt.%) gave Na 2 O 2.04, CaO 32.90, FeO 0.22, MnO 0.74, BeO 13.47 (LA-ICP-MS), Al 2 O 3 0.74, SiO 2 44.06, F 1.74, H 2 O (assuming 3 OH + F) 4.93, Total (–0.73 O = F) 100.10. Potassium, strontium, and magnesium were measured but not detected. The calculated density is 2.79 g cm –3 . The empirical formula on the basis of 14 anions including 3 OH – + F – is: (Ca 2.76 Na 0.31 Mn 0.05 Fe 0.01 ) 3.13 (Si 3.45 Be 2.53 Al 0.07 ) 6.05 O 11 [(OH) 2.57 F 0.43 ] 3 . The formula from crystal-structure analysis of the Saga specimen is: (Ca 3.02 0.98 ) 4 (Si 1.79 Be 0.21 ) 2 (Be 2.29 Si 1.71 ) 4 O 11 (OH) 3 . Combined structural and chemical data gives the following formula for the Nakkaalaaq specimen: (Ca 2.88 0.98 Na 0.12 Mn 0.02 ) 4 (Si 1.80 Be 0.17 Al 0.03 ) 2 (Be 2.32 Si 1.68 ) 4 O 11 [(OH) 2.70 F 0.30 ] 3 ; with simplified formula (Ca,) 4 (Si,Be) 2 (Be,Si) 4 O 11 (OH) 3 . The crystal structure of hydroxylgugiaite is tetragonal in acentric space group P 2 1 / m , with a 7.4151(2), b 7.4151, c 4.9652(1) Å, V 272.9(1) Å 3 , and Z = 1. It has been refined to an R index of 0.028 on the basis of 342 observed reflections and a correction for the {110} twin law. It is an H-bearing member of the melilite group. The structure has two distinct layers. The one crystallographically distinct Ca site with eight-fold coordination is a square antiprism polyhedron. The Ca polyhedra are in a layer with the H atoms. A second layer consists of corner-sharing Si/Be atoms in tetrahedral coordination with O. One H atom is bonded to an apical O atom that is not shared by two tetrahedra. This H atom is present only when there is a Ca -site vacancy. The other H atom is loosely bonded to the same O atom but at a different site. The IR spectrum supports this H-bonding scheme. Additional hydroxylgugiaite data is given for the other localities.
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  • 10
    Publication Date: 2017-05-02
    Description: Rowleyite, $$[\mathrm{Na}{({\mathrm{NH}}_{4},\mathrm{K})}_{9}{\mathrm{Cl}}_{4}]{[{\mathrm{V}}_{2}^{5+,4+}(\mathrm{P},\mathrm{As}){\mathrm{O}}_{8}]}_{6}\cdot n[{\mathrm{H}}_{2}\mathrm{O},\mathrm{Na},{\mathrm{NH}}_{4},\mathrm{K},\mathrm{Cl}]$$ , is a new mineral species from the Rowley mine, Maricopa County, Arizona, U.S.A. It was found in an unusual low-temperature, apparently post-mining suite of phases that include various vanadates, phosphates, oxalates, and chlorides, some containing $${\mathrm{NH}}_{4}^{+}$$ . Other secondary minerals found in association with rowleyite are antipinite, fluorite, mimetite, mottramite, quartz, salammoniac, struvite, vanadinite, willemite, wulfenite, and several other potentially new minerals. Analyzed 13 C values for the antipinite in association with rowleyite are consistent with a bat guano source. Crystals of rowleyite are very dark brownish green (appearing black) truncated octahedra up to about 50 μm in diameter. The streak is brownish green, the luster is vitreous, very thin fragments are transparent. The Mohs hardness is about 2, the tenacity is brittle, fracture is irregular, there is no cleavage, and the measured density is 2.23(2) g/cm 3 . Rowleyite is optically isotropic with n = 1.715(5). Electron microprobe analyses yielded the empirical formula $${[{({\mathrm{NH}}_{4})}_{8.81}{\mathrm{Na}}_{3.54}{\mathrm{K}}_{2.58})}_{\Sigma 14.93}{\mathrm{Cl}}_{6.29}{({\mathrm{H}}_{2}\mathrm{O})}_{16}][{({\mathrm{V}}_{9.36}^{5+}{\mathrm{V}}_{2.64}^{4+})}_{\Sigma 12}{({\mathrm{P}}_{5.28}{\mathrm{As}}_{0.72}^{5+})}_{\Sigma 6}{\mathrm{O}}_{48}]$$ . Raman and infrared spectroscopy confirmed the presence of NH 4 and H 2 O. Rowleyite is cubic, $$Fd\overline{3}m$$ , with a = 31.704(14) Å, V = 31867(42) Å 3 , and Z = 16. The crystal structure of rowleyite ( R 1 = 0.040 for 1218 F o 〉 4 F reflections) contains [V 4 O 16 ] 12+ polyoxovanadate units that link to one another via shared vertices with [(P,As)O 4 ] 3– tetrahedra to form a 3D framework possessing large interconnected channels. The channels contain a 3D ordered [Na(NH 4 ,K) 9 Cl 4 ] 6+ salt net, which apparently served as a template for the formation of the framework. In that respect, rowleyite can be considered a salt-inclusion solid (SIS). The rowleyite framework is among the most porous known.
    Print ISSN: 0003-004X
    Electronic ISSN: 1945-3027
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