scholarly journals Brattforsite, Mn19(AsO3)12Cl2, a new arsenite mineral related to magnussonite, from Brattforsgruvan, Nordmark, Värmland, Sweden

2021 ◽  
Author(s):  
Dan Holtstam ◽  
Cristian Biagioni ◽  
Ulf Hålenius
Keyword(s):  
Three Dimensional ◽  
Structural Data ◽  
Type Specimen ◽  
Structural Topology ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Calculated Density ◽  
X Ray ◽  
Cell Parameters ◽  
Density Values

AbstractBrattforsite is an approved mineral (IMA2019-127), with ideal formula Mn19(AsO3)12Cl2. Associated minerals in the type specimen from the Brattfors mine, Nordmark (Värmland, Sweden) include jacobsite, alleghanyite, phlogopite, calcite and dolomite. Brattforsite, forming subhedral, mostly equant crystals up to 0.5 mm across, is orange to reddish-brown with a white streak, and translucent with a resinous to vitreous lustre. The fracture is uneven to subconchoidal, and no cleavage is observed. It is very weakly pleochroic in yellow, optically biaxial (–) with 2V = 44(5)° and has calculated mean refractive index of 1.981. Measured and calculated density values are 4.49(1) and 4.54(1) g·cm− 3, respectively. Chemical analyses yields (in wt%): MgO 0.62, CaO 1.26, MnO 48.66, FeO 0.13, As2O3 46.72, Cl 2.61, H2Ocalc 0.07, O ≡ Cl –0.59, sum 99.49, corresponding to the empirical formula (Mn17.67Ca0.58Mg0.40Fe0.05)∑18.70As12.17O35.90Cl1.90(OH)0.20, based on 38 (O + Cl + OH) atoms per formula unit. The five strongest Bragg peaks in the powder X-ray diffraction pattern are [d (Å), I (%), (hkl)]: 2.843,100, ($$ \overline{4} $$ 4 - 44); 2.828, 99, (444); 1.731, 32, (880); 2.448, 28, (800); 1.739, 25, (088). Brattforsite is monoclinic and pseudotetragonal, space group I2/a, with unit-cell parameters a = 19.5806(7), b = 19.5763(7), c = 19.7595(7) Å, β = 90.393(3)°, V = 7573.9(5) Å3 and Z = 8. The crystal structure was solved and refined to an R1 index of 3.4 % for 7445 reflections [Fo > 4σ(Fo)]. Brattforsite has the same overall structural topology as magnussonite (i.e., the species can be considered as homeotypic), but with 12 independent tetrahedrally coordinated As sites and 21 Mn sites with varying (4–8) coordination. The Mn-centered polyhedra, bonded through edge- and face-sharing, give rise to a three-dimensional framework. The (AsO3)3− groups are bonded to this framework through corner- and edge-sharing. Spectroscopic measurements (optical absorption, Raman, FTIR) carried out support the interpretation of the compositional and structural data.

Compressibility of β-As4S4: an in situ high-pressure single-crystal X-ray study

2012 ◽  
Vol 76 (4) ◽  
pp. 963-973 ◽  
Author(s):  
G. O. Lepore ◽  
T. Boffa Ballaran ◽  
F. Nestola ◽  
L. Bindi ◽  
D. Pasqual ◽  
...  
Keyword(s):  
Pressure Range ◽  
Substantial Reduction ◽  
Structural Data ◽  
Unit Cell ◽  
Van Der Waals Interactions ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
Intermolecular Distances

AbstractAmbient temperature X-ray diffraction data were collected at different pressures from two crystals of β-As4S4, which were made by heating realgar under vacuum at 295ºC for 24 h. These data were used to calculate the unit-cell parameters at pressures up to 6.86 GPa. Above 2.86 GPa, it was only possible to make an approximate measurement of the unit-cell parameters. As expected for a crystal structure that contains molecular units held together by weak van der Waals interactions, β-As4S4 has an exceptionally high compressibility. The compressibility data were fitted to a third-order Birch–Murnaghan equation of state with a resulting volume V0 = 808.2(2) Å3, bulk modulus K0 = 10.9(2) GPa and K' = 8.9(3). These values are extremely close to those reported for the low-temperature polymorph of As4S4, realgar, which contains the same As4S4 cage-molecule. Structural analysis showed that the unit-cell contraction is due mainly to the reduction in intermolecular distances, which causes a substantial reduction in the unit-cell volume (∼21% at 6.86 GPa). The cage-like As4S4 molecules are only slightly affected. No phase transitions occur in the pressure range investigated.Micro-Raman spectra, collected across the entire pressure range, show that the peaks associated with As–As stretching have the greatest pressure dependence; the S–As–S bending frequency and the As–S stretching have a much weaker dependence or no variation at all as the pressure increases; this is in excellent agreement with the structural data.

Arrheniusite-(Ce), CaMg[(Ce7Y3)Ca5](SiO4)3(Si3B3O18)(AsO4)(BO3)F11, a New Member of the Vicanite Group, from the Östanmossa Mine, Norberg, Sweden

2021 ◽  
Author(s):  
Dan Holtstam ◽  
Luca Bindi ◽  
Paola Bonazzi ◽  
Hans-Jürgen Förster ◽  
Ulf B. Andersson
Keyword(s):  
Structure Refinement ◽  
New Mineral ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Calculated Density ◽  
Epma Data ◽  
X Ray ◽  
Cell Parameters ◽  
Greenish Yellow ◽  
The Ideal

ABSTRACT Arrheniusite-(Ce) is a new mineral (IMA 2019-086) from the Östanmossa mine, one of the Bastnäs-type deposits in the Bergslagen ore region, Sweden. It occurs in a metasomatic F-rich skarn, associated with dolomite, tremolite, talc, magnetite, calcite, pyrite, dollaseite-(Ce), parisite-(Ce), bastnäsite-(Ce), fluorbritholite-(Ce), and gadolinite-(Nd). Arrheniusite-(Ce) forms anhedral, greenish-yellow translucent grains, exceptionally up to 0.8 mm in diameter. It is optically uniaxial (–), with ω = 1.750(5), ε = 1.725(5), and non-pleochroic in thin section. The calculated density is 4.78(1) g/cm3. Arrheniusite-(Ce) is trigonal, space group R3m, with unit-cell parameters a = 10.8082(3) Å, c = 27.5196(9) Å, and V = 2784.07(14) Å3 for Z = 3. The crystal structure was refined from X-ray diffraction data to R1 = 3.85% for 2286 observed reflections [Fo > 4σ(Fo)]. The empirical formula for the fragment used for the structural study, based on EPMA data and results from the structure refinement, is: (Ca0.65As3+0.35)Σ1(Mg0.57Fe2+0.30As5+0.10Al0.03)Σ1[(Ce2.24Nd2.13La0.86Gd0.74Sm0.71Pr0.37)Σ7.05(Y2.76Dy0.26Er0.11Tb0.08Tm0.01Ho0.04Yb0.01)Σ3.27Ca4.14]Σ14.46(SiO4)3[(Si3.26B2.74)Σ6O17.31F0.69][(As5+0.65Si0.22P0.13)Σ1O4](B0.77O3)F11; the ideal formula obtained is CaMg[(Ce7Y3)Ca5](SiO4)3(Si3B3O18)(AsO4)(BO3)F11. Arrheniusite-(Ce) belongs to the vicanite group of minerals and is distinct from other isostructural members mainly by having a Mg-dominant, octahedrally coordinated site (M6); it can be considered a Mg-As analog to hundholmenite-(Y). The threefold coordinated T5 site is partly occupied by B, like in laptevite-(Ce) and vicanite-(Ce). The mineral name honors C.A. Arrhenius (1757–1824), a Swedish officer and chemist, who first discovered gadolinite-(Y) from the famous Ytterby pegmatite quarry.

Kummerite, Mn2+Fe3+Al(PO4)2(OH)2·8H2O, a new laueite-group mineral from the Hagendorf Süd pegmatite, Bavaria, with ordering of Al and Fe3+

2016 ◽  
Vol 80 (7) ◽  
pp. 1243-1254 ◽  
Author(s):  
I. E. Grey ◽  
E. Keck ◽  
W. G. Mumme ◽  
A. Pring ◽  
C. M. Macrae ◽  
...  
Keyword(s):  
Electron Microprobe ◽  
Empirical Formula ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Calculated Density ◽  
Group Mineral ◽  
X Ray ◽  
Cell Parameters ◽  
Octahedral Sites ◽  
Phosphate Mineral

AbstractKummerite, ideally Mn2+Fe3+A1(PO4)2(OH)2.8H2O, is a new secondary phosphate mineral belonging to the laueite group, from the Hagendorf-Süd pegmatite, Hagendorf, Oberpfalz, Bavaria, Germany. Kummerite occurs as sprays or rounded aggregates of very thin, typically deformed, amber yellow laths. Cleavage is good parallel to ﹛010﹜. The mineral is associated closely with green Zn- and Al-bearing beraunite needles. Other associated minerals are jahnsite-(CaMnMn) and Al-bearing frondelite. The calculated density of kummerite is 2.34 g cm 3. It is optically biaxial (-), α= 1.565(5), β = 1.600(5) and y = 1.630(5), with weak dispersion. Pleochroism is weak, with amber yellow tones. Electron microprobe analyses (average of 13 grains) with H2O and FeO/Fe2O3 calculated on structural grounds and normalized to 100%, gave Fe2O3 17.2, FeO 4.8, MnO 5.4, MgO 2.2, ZnO 0.5, Al2O3 9.8, P2O5 27.6, H2O 32.5, total 100 wt.%. The empirical formula, based on 3 metal apfu is (Mn2+0.37Mg0.27Zn0.03Fe2+0.33)Σ1.00(Fe3+1.06Al0. 94)Σ2.00PO4)1.91(OH)2.27(H2O)7.73. Kummerite is triclinic, P1̄, with the unit-cell parameters of a = 5.316(1) Å, b =10.620(3) Å , c = 7.118(1) Å, α = 107.33(3)°, β= 111.22(3)°, γ = 72.22(2)° and V= 348.4(2) Å3. The strongest lines in the powder X-ray diffraction pattern are [dobs in Å(I) (hkl)] 9.885 (100) (010); 6.476 (20) (001); 4.942 (30) (020); 3.988 (9) (̄110); 3.116 (18) (1̄20); 2.873 (11) (1̄21). Kummerite is isostructural with laueite, but differs in having Al and Fe3+ ordered into alternate octahedral sites in the 7.1 Å trans-connected octahedral chains.

scholarly journals Bosoite, a new silica clathrate mineral from Chiba Prefecture, Japan

2020 ◽  
pp. 1-8
Author(s):  
Koichi Momma ◽  
Takuji Ikeda ◽  
Toshiro Nagase ◽  
Takahiro Kuribayashi ◽  
Chibune Honma ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Sedimentary Rocks ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Average Model ◽  
Guest Molecules ◽  
Calculated Density ◽  
X Ray ◽  
Cell Parameters ◽  
Chiba Prefecture

Abstract Bosoite (IMA2014-023) is a new silica clathrate mineral containing hydrocarbon molecules in its crystal structure. Bosoite can be considered structurally as a silica analogue of the structure-H gas hydrate, where guest molecules are trapped in cage-like voids constructed of the host framework. The mineral occurs in the Miocene tuffaceous sedimentary rocks at Arakawa, Minami-boso City, Chiba Prefecture, Japan. Bosoite is hexagonal, and it crystallises as an epitaxial intergrowth on chibaite crystals, with the {0001} of bosoite parallel to octahedral {111} form of chibaite. Crystals are colourless and transparent with vitreous lustre. The calculated density is 2.04 g/cm3. The empirical formula (based on 2 O apfu and guest molecules assumed as CH4) is Na0.01(Si0.98Al0.02)Σ1.00O2⋅0.50CH4; the end-member formula is SiO2⋅nC x H2x+2. Bosoite has the space group P6/mmm, with the unit-cell parameters a = 13.9020(3) Å, c = 11.2802(2) Å, V = 1887.99(6) Å3 and Z = 34. The crystal structure of bosoite was refined by single-crystal X-ray diffraction and converged to R1 = 4.26% for the average model and R1 = 2.96% for the model where all oxygen sites are split.

Clino-suenoite, a newly approved magnesium-iron-manganese amphibole from Valmalenco, Sondrio, Italy

2018 ◽  
Vol 82 (1) ◽  
pp. 189-198
Author(s):  
Roberta Oberti ◽  
Massimo Boiocchi ◽  
Frank C. Hawthorne ◽  
Marco E. Ciriotti ◽  
Olav Revheim ◽  
...  
Keyword(s):  
Microprobe Analysis ◽  
Electron Microprobe Analysis ◽  
Structure Refinement ◽  
Type Specimen ◽  
Crystal Structure Refinement ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
Iron Manganese

ABSTRACTClino-suenoite, ideally □${\rm Mn}_{2}^{2 +} $Mg5Si8O22(OH)2 is a new amphibole of the magnesium-iron-manganese subgroup of the amphibole supergroup. The type specimen was found at the Lower Scerscen Glacier, Valmalenco, Sondrio, Italy, where it occurs in Mn-rich quartzite erratics containing braunite, rhodonite, spessartine, carbonates and various accessory minerals. The empirical formula derived from electron microprobe analysis and single-crystal structure refinement is: ANa0.04B(${\rm Mn}_{1.58}^{2 +} $Ca0.26Na0.16)Σ2.00C(Mg4.21${\rm Mn}_{0. 61}^{2 +} {\rm Fe}_{0.04}^{2 +} $Zn0.01Ni0.01${\rm Fe}_{0.08}^{3 +} $Al0.04)Σ5.00TSi8.00O22W[(OH1.94F0.06)]Σ=2.00. Clino-suenoite is biaxial (+), with α = 1.632(2), β = 1.644(2), γ = 1.664(2) and 2Vmeas. = 78(2)° and 2Vcalc. = 76.3°. The unit-cell parameters in the C2/m space group are a = 9.6128(11), b = 18.073(2), c = 5.3073(6) Å, β = 102.825(2)° and V = 899.1(2) Å3 with Z = 2. The strongest ten reflections in the powder X-ray diffraction pattern [d (in Å), I, (hkl)] are: 2.728, 100, (151); 2.513, 77, ($\bar 2$02); 3.079, 62, (310); 8.321, 60, (110); 3.421, 54, (131); 2.603, 42, (061); 2.175, 42, (261); 3.253, 41, (240); 2.969, 40, (221); 9.036, 40, (020).

Structural characterization of dimercury(1+) pentacyanonitrosylferrate(2−), Hg2[Fe(CN)5NO]

2000 ◽  
Vol 15 (3) ◽  
pp. 193-197
Author(s):  
V. Venegas ◽  
G. Rueda-Morales ◽  
E. Reguera ◽  
F. Caleyo
Keyword(s):  
Atomic Force Microscopy ◽  
Orthorhombic Symmetry ◽  
Unit Cell Parameters ◽  
Calculated Density ◽  
X Ray ◽  
Cell Parameters ◽  
Force Microscopy ◽  
Atomic Force ◽  
Density Values

The titled compound, Hg2[Fe(CN)5NO], was synthesized and studied by X-ray powder diffraction, infrared spectroscopy, Mössbauer spectroscopy, and atomic force microscopy. The results arising from this study indicate that this compound is anhydrous and crystallizes in the P222 orthorhombic symmetry. The unit cell parameters were quantified as a=16.5905(9) Å, b=12.3145(8) Å, and c=8.7576(5) Å. The measured and calculated density values are Dm=1.149 g/cm3 and Dc=1.145 g/cm3, respectively, with Z=2.

A new mineral, zincolibethenite, CuZnPO4OH, a stoichiometric species of specific site occupancy

2005 ◽  
Vol 69 (2) ◽  
pp. 145-153 ◽  
Author(s):  
R. S. W. Braithwaite ◽  
R. G. Pritchard ◽  
W. H. Paar ◽  
R. A. D. Pattrick
Keyword(s):  
Atmospheric Pressure ◽  
Site Occupancy ◽  
New Mineral ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Cation Site ◽  
Calculated Density ◽  
X Ray ◽  
Cell Parameters ◽  
Jahn Teller

AbstractTiny green crystals from Kabwe, Zambia, associated with hopeite and tarbuttite (and probably first recorded in 1908 but never adequately characterized because of their scarcity) have been studied by X-ray diffraction, microchemical and electron probe microanalysis, infrared spectroscopy, and synthesis experiments. They are shown to be orthorhombic, stoichiometric CuZnPO4OH, of species rank, forming the end-member of a solid-solution series to libethenite, Cu2PO4OH, and are named zincolibethenite. The libethenite structure is unwilling to accommodate any more Zn substituting for Cu at atmospheric pressure, syntheses using Zn-rich solutions precipitating a mixture of zincolibethenite with hopeite, Zn3(PO4)2.4H2O. Single-crystal X-ray data confirm that the Cu(II) occupies the Jahn-Teller distorted 6-coordinate cation site in the libethenite lattice, and the Zn(II) occupies the 5-coordinate site. The space group of zincolibethenite is Pnnm, the same as that of libethenite, with unit-cell parameters a = 8.326, b = 8.260, c = 5.877 Å , V = 404.5 Å 3, Z = 4, calculated density = 3.972 g/cm3 (libethenite has a = 8.076, b = 8.407, c = 5.898 Å , V = 400.44 Å 3, Z = 4, calculated density = 3.965 g/cm3). Zincolibethenite is biaxial negative, with 2Vα(calc.) of 49°, r<v, and α = 1.660, β = 1.705, and γ = 1.715 The mineral is named for its relationship to libethenite.

scholarly journals Crystallization and preliminary crystallographic studies of PotA, a membrane-associated ATPase of the spermidine-preferential uptake system inThermotoga maritima

2014 ◽  
Vol 70 (6) ◽  
pp. 738-741 ◽  
Author(s):  
Shigeru Sugiyama ◽  
Keiko Kashiwagi ◽  
Keisuke Kakinouchi ◽  
Hideyuki Tomitori ◽  
Ken Kanai ◽  
...  
Keyword(s):  
Thermotoga Maritima ◽  
Three Dimensional ◽  
Crystallographic Analysis ◽  
Uptake System ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
Polyamine Uptake ◽  
Preferential Uptake

A membrane-associated ATPase, PotA, is a component of the spermidine-preferential uptake system in prokaryotes that plays an important role in normal cell growth by regulating the cellular polyamine concentration. No three-dimensional structures of membrane-associated ATPases in polyamine-uptake systems have been determined to date. Here, the crystallization and preliminary X-ray diffraction analysis of PotA fromThermotoga maritimaare reported. Diffraction data were collected and processed to 2.7 Å resolution from both native and selenomethionine-labelled crystals. Preliminary crystallographic analysis revealed that the crystals belonged to the hexagonal space groupP3112 (orP3212), with unit-cell parametersa=b= 88.9,c= 221.2 Å, α = 90, β = 90, γ = 120°, indicating that a dimer was present in the asymmetric unit.

The crystal structure of o-(1,2-dicarba-closo-dodecaborane-1-yl)methyl-cholesterol

1991 ◽  
Vol 56 (10) ◽  
pp. 1983-1992 ◽  
Author(s):  
Věra Šubrtová ◽  
Václav Petříček ◽  
Karel Malý
Keyword(s):  
Room Temperature ◽  
Valence Angle ◽  
X Ray Diffraction ◽  
Linear Absorption Coefficient ◽  
Unit Cell Parameters ◽  
Linear Absorption ◽  
Calculated Density ◽  
X Ray ◽  
Cell Parameters ◽  
Temperature Radiation

The structure of C2B10H11.CH2C27H45O was determined by X-ray diffraction. This compound crystallizes in the orthorhombic system with the P212121 space group. The unit cell parameters are a = 994.0(4), b = 3 231.0(7), c = 1 039.6(2) pm, V = 3 338 . 106 pm3, Z = 4, calculated density Dc = 1.080Mg m-3. Mr = 542.9, linear absorption coefficient μ(MoK α) = 0.54 cm-1 F(000) = 1 184. Intensities were measured at room temperature, radiation used λ(MoK α) = 71.073 pm. Final R = 0.063 for 2 099 observed independent reflections. The studied molecule is built from ortho-carborane icosahedron connected with the cholesterol through the methylene CH2 group bonded to the icosahedral carbon atom C(B1) (C-C= 151.0(7) pm) and to the oxygen atom of the cholesterol (C-O = 138.3(7) pm). Valence angle C(B1)-C-O = 108(2)°, torsion angle C(B1)-C-O-C(3) = 164(4)°.

Huenite, Cu4Mo3O12(OH)2, a New Copper-molybdenum Oxy-hydroxide Mineral from the San Samuel Mine, Carrera Pinto, Cachiyuyo De Llampos District, CopiapÓ Province, Atacama Region, Chile

2019 ◽  
Vol 57 (4) ◽  
pp. 467-474
Author(s):  
Pietro Vignola ◽  
Nicola Rotiroti ◽  
G. Diego Gatta ◽  
Andrea Risplendente ◽  
Frédéric Hatert ◽  
...  
Keyword(s):  
Close Association ◽  
Short Wave ◽  
Formula Unit ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Calculated Density ◽  
X Ray ◽  
Cell Parameters ◽  
Long Wave ◽  
Mohs Hardness

Abstract Huenite, Cu4Mo3O12(OH)2, is a new copper and molybdenum oxy-hydroxide mineral found in the San Samuel Mine, Carrera Pinto, Cachiyuyo de Llampos district, Copiapó Province, Atacama Region, Chile. This new species forms flattened orthorhombic prisms up to 60–70 μm in size, weakly elongated along [001]. Huenite crystals were found on fractured surfaces of a quartz breccia, forming aggregates 1 mm in diameter in close association with lindgrenite, gypsum, dark grayish-brown tourmaline, and an unknown pale purple phase. The color is very dark reddish-brown, with a strong vitreous to adamantine luster. Its streak is pale reddish-brown to pinkish. The mineral is brittle with an irregular fracture and a Mohs hardness of 3.5–4 with a good cleavage on {010}. Its calculated density is 5.1 g/cm3. The calculated refractive index is 2.18. Huenite is non-fluorescent under 254 nm (short wave) and 366 nm (long wave) ultraviolet light. The empirical formula, calculated on the basis of 3 (Mo+S+Si) atoms per formula unit, is (Cu3.519Fe2+0.403)Σ3.922(Mo2.907S0.090Si0.003)Σ3.000O12·(OH)2.229, with H2O content calculated for a total of 100 wt.%. Huenite is trigonal, with space group P31/c and unit-cell parameters a = 7.653(5) Å, c = 9.411(6) Å, and V = 477.4(5) Å3 for Z = 2. The eight strongest measured powder X-ray diffraction lines are: [d in Å, (I/I0), (hkl)]: 2.974 (100) (112), 1.712 (59.8) (132), 3.810 (50.6) (110), 2.702 (41.2) (022), 2.497 (38.1) (120), 1.450 (37.2) (134), 6.786 (24.9) (010), and 5.374 (24.5) (011). The mineral, which has been approved by the CNMNC under number IMA 2015-122, is named in honor of Edgar Huen.

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