Albertiniite, Fe2+(SO3)·3H2O, a new sulfite mineral species from the Monte Falò Pb-Zn mine, Coiromonte, Armeno Municipality, Verbano Cusio Ossola Province, Piedmont, Italy

2016 ◽  
Vol 80 (6) ◽  
pp. 985-994 ◽  
Author(s):  
P. Vignola ◽  
G. D. Gatta ◽  
N. Rotiroti ◽  
P. Gentile ◽  
F. Hatert ◽  
...  

AbstractAlbertiniite, Fe2+(SO3)·3H2O, is a new Fe2+ sulfite trihydrate, related chemically to gravegliaite. It occurs at the Monte Falò Pb-Zn mine near Coiromonte, in the Armeno Municipality, Verbano–Cusio–Ossola Province, Italy. It is an intermediate product of oxidation between iron sulfides and sulfates, forming monoclinic, colourless to pale yellow, transparent crystals with a vitreous lustre. The mineral occurs associated with stolzite, pyromorphite, hinsdalite, plumbogummite, gibbsite, scheelite and jarosite on brittle fractures of quartz veins or chlorite-schist. Albertiniite is optically biaxial (+) with 2V(meas) ≈ 40° and 2V(calc) = 66°. The measured refractive indices, using sodium light (589 nm) are: α = 1.612(2)°, β = 1.618(2)° and γ = 1.632(2)°. The optical axis plane is parallel to the perfect {010} cleavage plane. It is non-fluorescent under shortwave (254 nm) or longwave (366 nm) ultraviolet light. The calculated density is 2.469 g cm–3 (from the crystal-structure refinement), or 2.458 g cm–3 (from the chemical analysis and the single-crystal unit-cell parameters). The empirical formula is (average of 16 spots and based on 3 anhydrous oxygen apfu) (Ca0.001Mg0.001Na0.003)∑1.061(S0.971O3)·2.84H2O, with the H2O content calculated by difference to 100 wt.%. Albertiniite is monoclinic, with space group P21/n. Its unit-cell parameters are: a = 6.633(1), b = 8.831(1), c = 8.773(1) Å, β = 96.106(8)° and V = 511.0(1) Å3, with Z = 4. The eight strongest measured lines in the powder X-ray diffraction pattern are [d in Å, (I/I0), (hkl)]: 4.072 (100) (1̄11), 3.539 (93) (1̄12), 5.533 (27) (1̄01), 6.167 (14) (011), 2.830 (14) (211), 4.998 (14) (101), 4.353 (12) (111) and 3.897 (12) (012). The mineral, which has been approved by the CNMNC, number IMA2015-004, is named albertiniite in honour of Claudio Albertini, an Italian mineral collector and expert in the systematic mineralogy of the Alps and pegmatites.

Author(s):  
Dan Holtstam ◽  
Luca Bindi ◽  
Paola Bonazzi ◽  
Hans-Jürgen Förster ◽  
Ulf B. Andersson

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.


2021 ◽  
Vol 33 (6) ◽  
pp. 717-726
Author(s):  
Daniela Mauro ◽  
Cristian Biagioni ◽  
Federica Zaccarini

Abstract. Gersdorffite, ideally NiAsS, and associated minerals from Contrada Zillì (Peloritani Mountains, Sicily, Italy) have been characterized through electron microprobe analysis and X-ray diffraction. Primary minerals, hosted in quartz veins, are represented by gersdorffite, tetrahedrite-(Fe), and chalcopyrite with minor pyrite and galena. Rare aikinite inclusions were observed in tetrahedrite-(Fe) and chalcopyrite. Gersdorffite occurs as euhedral to subhedral crystals, up to 1 mm in size, with (Sb,Bi)-enriched cores and (Fe,As)-enriched rims. Its chemical composition is (Ni0.79−0.95Fe0.18−0.04Co0.04−0.01)(As0.90−1.03Sb0.10−0.00Bi0.02−0.00)S0.98−0.92. It crystallizes in the space group P213, with unit-cell parameters a=5.6968(7) Å, V=184.88(7) Å3, and Z=4, and its crystal structure was refined down to R1= 0.035. Associated tetrahedrite-(Fe) has chemical formula (Cu5.79Ag0.07)Σ5.86(Cu3.96Fe1.59Zn0.45)Σ6.00(Sb3.95As0.17Bi0.03)Σ4.15S13.06, with unit-cell parameters a= 10.3815(10) Å, V=1118.9(3) Å3, and space group I-43m. Its crystal structure was refined to R1=0.027. Textural and crystallographic data suggest a polyphasic crystallization of gersdorffite under low-temperature conditions.


Minerals ◽  
2019 ◽  
Vol 9 (6) ◽  
pp. 343 ◽  
Author(s):  
Sytle M. Antao ◽  
Laura A. Cruickshank ◽  
Kaveer S. Hazrah

The crystal chemistry of two hausmannite samples from the Kalahari manganese field (KMF), South Africa, was studied using electron-probe microanalysis (EPMA), single-crystal X-ray diffraction (SCXRD) for sample-a, and high-resolution powder X-ray diffraction (HRPXRD) for sample-b, and a synthetic Mn3O4 (97% purity) sample-c as a reference point. Hausmannite samples from the KMF were reported to be either magnetic or non-magnetic with a general formula AB2O4. The EPMA composition for sample-a is [Mn2+0.88Mg2+0.11Fe2+0.01]Σ1.00Mn3+2.00O4 compared to Mn2+Mn3+2O4 obtained by refinement. The single-crystal structure refinement in the tetragonal space group I41/amd gave R1 = 0.0215 for 669 independently observed reflections. The unit-cell parameters are a = b = 5.7556(6), c = 9.443(1) Å, and V = 312.80(7) Å3. The Jahn–Teller elongated Mn3+O6 octahedron of the M site consists of M–O × 4 = 1.9272(5), M–O × 2 = 2.2843(7), and an average <M–O>[6] = 2.0462(2) Å, whereas the Mn2+O4 tetrahedron of the T site has T–O × 4 = 2.0367(8) Å. The site occupancy factors (sof) are M(sof) = 1.0 Mn (fixed, thereafter) and T(sof) = 1.0008(2) Mn. The EPMA composition for sample-b is [Mn0.99Mg0.01](Mn1.52Fe0.48)O4. The Rietveld refinement gave R (F2) = 0.0368. The unit-cell parameters are a = b = 5.78144(1), c = 9.38346(3) Å, and V = 313.642(1) Å3. The octahedron has M–O × 4 = 1.9364(3), M–O × 2 = 2.2595(6), and average <M–O>[6] = 2.0441(2) Å, whereas T–O × 4 = 2.0438(5) Å. The refinement gave T(sof) = 0.820(9) Mn2+ + 0.180(9) Fe2+ and M(sof) = 0.940(5) Mn3+ + 0.060(5) Fe3+. Samples-a and -b are normal spinels with different amounts of substitutions at the M and T sites. The Jahn–Teller elongation, Δ(M–O), is smaller in sample-b because atom substitutions relieve strain compared to pure Mn3O4.


2018 ◽  
Vol 82 (S1) ◽  
pp. S247-S257 ◽  
Author(s):  
O. V. Karimova ◽  
A. A. Zolotarev ◽  
T. L. Evstigneeva ◽  
B. S. Johanson

ABSTRACTThe crystal structure of the mineral mertieite-II from the Kaarreoja River, Inari commune, Finnish Lapland, Finland, was refined to R1 = 0.0222 (I) and 0.0228 (II) on the basis of X-ray diffraction data collected from two single crystals. The mineral is trigonal, space group is $R\bar 3c$. The unit-cell parameters for the two crystals are determined as: a = 7.5172(3), c = 43.037(2) Å, V = 2106.1(2) Å3 (I); a = 7.5135(4), c = 43.003(3) Å, V = 2102.4(3) Å3 (II) with Z = 12. The occupancies of the Sb and As position in the structure were refined according to the Sb:As ratio of each crystal. The position As1 (Wyckoff 6b) is completely filled by As atoms. Any excess of As is distributed together with Sb on structural position M1 (Wyckoff 12c). The crystal chemical formulae are defined as Pd8Sb1.5(Sb0.94As0.06)As0.5 (crystal I) and Pd8Sb1.5(Sb0.88As0.12)As0.5 (crystal II). As → Sb substitution of up to 4.50 wt% of As does not affect the main structural topology of mertieite-II. Mertieite-II, Pd8Sb2.5As0.5 and synthetic Pd8Sb3 are isotypic compounds. The crystal structures of synthetic Pd8Sb3 and natural mertieite-II, Pd8Sb2.5As0.5, can be derived from the hexagonal close packing by filling additional layers between the close-packed 36 layers. The structure consists of Sb and (Sb,As) triangular 36, Pd triangular 36 and Pd pentagonal-triangular 5.33 layers. Stacking of Sb-, (Sb,As)- and Pd-nets along the z axis caused extension of the unit cell. It contains a total of 36 layers: six Sb1-nets, six (M1,As1)-nets, 12 Pd1-nets and 12 (Pd1,Pd3,Pd4)-nets.


Minerals ◽  
2020 ◽  
Vol 11 (1) ◽  
pp. 16
Author(s):  
M. Mashrur Zaman ◽  
Sytle M. Antao

This study examines two pegmatitic monazite samples (2a and 4b, these numbers are related to a previous study) to determine their crystal chemistry and effects of internal radiation damage using synchrotron high-resolution powder X-ray diffraction and electron-probe micro-analysis. Both the huttonite and cheralite substitutions are discussed. Rietveld structure refinement of sample 2a shows three different phases [2a = monazite-(Ce), 2b = monazite-(Ce), and 2c = xenotime-(Y)] with distinct structural parameters. The changes among the unit-cell parameters between the two monazite-(Ce) phases is more pronounced in the a followed by the b and c unit-cell parameters. Sample 4a is a single-phase monazite-(Sm) that contains 0.164 apfu Th. Phase 2c with space group I41/amd arises from redistribution of La, Ce, Pr, Nd, Sm, Gd, Dy, Si, and Y atoms from those in monazite (space group P21/n). A possible cause for the phase transition from monazite-(Ce) to xenotime-(Y) is α-radiation events over a long geological time. However, other chemical processes cannot be ruled out as a cause for the transition.


Minerals ◽  
2020 ◽  
Vol 10 (11) ◽  
pp. 1028 ◽  
Author(s):  
M. Mashrur Zaman ◽  
Sytle M. Antao

This study investigates the crystal chemistry of monazite (APO4, where A = Lanthanides = Ln, as well as Y, Th, U, Ca, and Pb) based on four samples from different localities using single-crystal X-ray diffraction and electron-probe microanalysis. The crystal structure of all four samples are well refined, as indicated by their refinement statistics. Relatively large unit-cell parameters (a = 6.7640(5), b = 6.9850(4), c = 6.4500(3) Å, β = 103.584(2)°, and V = 296.22(3) Å3) are obtained for a detrital monazite-Ce from Cox’s Bazar, Bangladesh. Sm-rich monazite from Gunnison County, Colorado, USA, has smaller unit-cell parameters (a = 6.7010(4), b = 6.9080(4), c = 6.4300(4) Å, β = 103.817(3)°, and V = 289.04(3) Å3). The a, b, and c unit-cell parameters vary linearly with the unit-cell volume, V. The change in the a parameter is large (0.2 Å) and is related to the type of cations occupying the A site. The average <A-O> distances vary linearly with V, whereas the average <P-O> distances are nearly constant because the PO4 group is a rigid tetrahedron.


2012 ◽  
Vol 76 (4) ◽  
pp. 963-973 ◽  
Author(s):  
G. O. Lepore ◽  
T. Boffa Ballaran ◽  
F. Nestola ◽  
L. Bindi ◽  
D. Pasqual ◽  
...  

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.


2012 ◽  
Vol 76 (3) ◽  
pp. 443-453 ◽  
Author(s):  
J. Plášil ◽  
K. Fejfarová ◽  
R. Skála ◽  
R. Škoda ◽  
N. Meisser ◽  
...  

AbstractTwo crystals of the uranyl carbonate mineral grimselite, ideally K3Na[(UO2)(CO3)3](H2O), from Jáchymov in the Czech Republic were studied by single-crystal X-ray diffraction and electron-probe microanalysis. One crystal has considerably more Na than the ideal chemical composition due to substitution of Na into KO8 polyhedra; the composition of the other crystal is nearer to ideal, and similar to synthetic grimselite. The presence of Na atoms in KO8 polyhedra, which are located in channels in the crystal structure, reduces their volume, and as a result the unit-cell volume also decreases. Structure refinement shows that the formula for the sample with the anomalously high Na content is (K2.43Na0.57)Σ3.00Na[(UO2)(CO3)3](H2O). The unit-cell parameters, refined in space group P2c, are a = 9.2507(1), c = 8.1788(1) Å, V = 606.14(3) Å3 and Z = 2. The crystal structure was refined to R1 = 0.0082 and wR1 = 0.0185 with a GOF = 1.33, based on 626 observed diffraction peaks [Iobs>3σ(I)].


Author(s):  
Fang Lu ◽  
Bei Zhang ◽  
Yong Liu ◽  
Ying Song ◽  
Gangxing Guo ◽  
...  

Phytases are phosphatases that hydrolyze phytates to less phosphorylatedmyo-inositol derivatives and inorganic phosphate. β-Propeller phytases, which are very diverse phytases with improved thermostability that are active at neutral and alkaline pH and have absolute substrate specificity, are ideal substitutes for other commercial phytases. PhyH-DI, a β-propeller phytase fromBacillussp. HJB17, was found to act synergistically with other single-domain phytases and can increase their efficiency in the hydrolysis of phytate. Crystals of native and selenomethionine-substituted PhyH-DI were obtained using the vapour-diffusion method in a condition consisting of 0.2 Msodium chloride, 0.1 MTris pH 8.5, 25%(w/v) PEG 3350 at 289 K. X-ray diffraction data were collected to 3.00 and 2.70 Å resolution, respectively, at 100 K. Native PhyH-DI crystals belonged to space groupC121, with unit-cell parametersa = 156.84,b = 45.54,c = 97.64 Å, α = 90.00, β = 125.86, γ = 90.00°. The asymmetric unit contained two molecules of PhyH-DI, with a corresponding Matthews coefficient of 2.17 Å3 Da−1and a solvent content of 43.26%. Crystals of selenomethionine-substituted PhyH-DI belonged to space groupC2221, with unit-cell parametersa = 94.71,b= 97.03,c= 69.16 Å, α = β = γ = 90.00°. The asymmetric unit contained one molecule of the protein, with a corresponding Matthews coefficient of 2.44 Å3 Da−1and a solvent content of 49.64%. Initial phases for PhyH-DI were obtained from SeMet SAD data sets. These data will be useful for further studies of the structure–function relationship of PhyH-DI.


2016 ◽  
Vol 80 (7) ◽  
pp. 1243-1254 ◽  
Author(s):  
I. E. Grey ◽  
E. Keck ◽  
W. G. Mumme ◽  
A. Pring ◽  
C. M. Macrae ◽  
...  

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.


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