Ferro-fluoro-edenite, a new amphibole endmember from Vulcano Island (Sicily, Italy)

2021 ◽  
Vol 59 (4) ◽  
pp. 741-749
Author(s):  
Italo Campostrini ◽  
Francesco Demartin ◽  
Pietro Vignola ◽  
Federico Pezzotta

ABSTRACT Ferro-fluoro-edenite, ideally NaCa2Fe2+5(Si7Al)O22F2, was found as prismatic crystals up to 1.00 mm inside cavities in ejecta of the 1873 eruption at La Fossa crater, Vulcano Island, Aeolian Archipelago, Sicily, Italy. It is associated with quartz, magnetite, and vonsenite. Crystals are dark brown to black, transparent or semitransparent with vitreous luster, and non fluorescent. The Mohs hardness is 5–6. Cleavage is fair on {110} and fracture is uneven. Density (calc.) is 3.358 g cm–3 using the empirical formula and single-crystal cell data. The mineral is biaxial negative, α = 1.629(2), β = 1.659(2), γ = 1.667(2), 2V (calc.) = –53.8°, Y = b. Dispersion is weak to very weak, r < v, pleochroism not visible. Ferro-fluoro-edenite is monoclinic, space group C2/m, a = 9.9132(10), b = 18.1736(19), c = 5.2943(6) Å, β = 104.85(1)°, V = 922.0(2) Å3, Z = 2. The strongest X-ray diffraction peaks in the powder pattern are [d(I, hkl)]: 8.54(100, 1 1 0), 4.506(16, 0 4 0), 3.154(52, 3 1 0), 2.833(43, 3 3 0), 2.057(14, 2 0 2), 1.910(12, 5 1 0), 1.662(15, 4 6 1). The FTIR spectrum shows a broad band at about 950 cm–1 and no bands in the OH stretching region. The structure refinement led to a final R = 0.0210 for 1444 observed reflections with I > 2σ(I) and allowed cation site assignment and ordering. Microprobe analysis gave the following empirical formula calculated on the basis of 24 (O + F + Cl) apfu: (Na0.69K0.23□0.08)(Ca1.69Mg0.16Mn0.10Na0.05)Σ2(Fe2+2.86Mg2.04Ti0.10)Σ5(Si6.93Al1.05Ti0.02)Σ8O22(F1.89Cl0.09OH0.02)Σ2.

2020 ◽  
Vol 32 (6) ◽  
pp. 637-644
Author(s):  
Stuart J. Mills ◽  
Uwe Kolitsch ◽  
Georges Favreau ◽  
William D. Birch ◽  
Valérie Galea-Clolus ◽  
...  

Abstract. The new mineral gobelinite, ideally CoCu4(SO4)2(OH)6⚫6H2O, is a new member of the ktenasite group and the Co analogue of ktenasite, ZnCu4(SO4)2(OH)6⚫6H2O. It occurs at Cap Garonne (CG), Var, France (type locality), and Eisenzecher Zug (EZ), Siegerland, North Rhine-Westphalia, Germany (cotype locality). The mineral forms pale green, bluish green or greyish green, blocky to thin, lath-like crystals. They are transparent and non-fluorescent, with a vitreous, sometimes also pearly, lustre and a white streak having a pale-green cast. Mohs hardness is about 2.5. The crystals are brittle with an irregular fracture; no cleavage was observed. D(meas.) is 2.95(2) and D(calc.) is 2.907 g cm−3 (for empirical formula, CG). Common associates are brochantite and various other hydrated metal sulfates. Electron-microprobe analyses of the CG material yielded (wt. %) CuO 42.45, CoO 6.58, NiO 3.37, ZnO 3.14, SO3 22.12, and H2O 22.62 (calculated on structural grounds), and total = 100.30 wt. %, giving the empirical formula (based on 20 O atoms) (Co0.63Ni0.32Zn0.28Cu3.83)Σ5.06S1.98O20H18.00. The simplified formula is (Co,Ni)(Cu,Zn)4(SO4)2(OH)6⚫6H2O, and the endmember formula is CoCu4(SO4)2(OH)6⚫6H2O. Scanning electron microscopy–energy dispersive X-ray spectroscopy (SEM–EDS) analyses of the (Zn-free) EZ material gave the simplified average formula (Co0.92Ni0.21Mg0.01Cu3.79)Σ4.93(SO4)2.08(OH)6⚫6H2O. Optically, gobelinite (CG) is biaxial negative, with α=1.576(2), β=1.617(2) and γ=1.630(2); 2Vmeas=58(4)∘ and 2Vcalc=57.5∘. Dispersion is weak, r>v; orientation is X=β, Y=γ and Z≈α, with strong pleochroism X equaling colourless, Y equaling green and Z equaling pale green. The mineral is monoclinic, space group P21∕c, with a=5.599(1), b=6.084(1), c=23.676(5) Å, β=95.22(3)∘ and V=803.2(3) Å3 (at 100 K; CG) and a=5.611(1), b=6.103(1), c=23.808(5) Å, β=95.18(3)∘ and V=811.9(3) Å3 (at 298 K; EZ), respectively (Z=2). The eight strongest measured powder X-ray diffraction lines (d in Å (I) hkl (CG material)) are 11.870 (100) 002, 5.924 (40) 004, 4.883 (10) 102, 4.825 (15) 013, 3.946 (15) 006, 2.956 (15) 008, 2.663 (20) 202 and 2.561 (15) 1‾23. Single-crystal structure determinations gave R1=0.0310 (CG) and 0.0280 (EZ). The atomic arrangement is based on brucite-like sheets formed from edge-sharing, Jahn–Teller-distorted (4+2 coordination) CuO6 octahedra. These sheets are decorated on both sides with SO4 tetrahedra and linked via hydrogen bonds to interstitial, fairly regular Co(H2O)6 octahedra. The name alludes to the Old French word gobelin, equivalent to the German word kobold, from which the designation of the element cobalt was derived.


Minerals ◽  
2018 ◽  
Vol 8 (9) ◽  
pp. 415 ◽  
Author(s):  
Daisuke Nishio-Hamane ◽  
Takahiro Tanaka ◽  
Tetsuo Minakawa

Aurihydrargyrumite, a natural Au6Hg5 phase, was found in Iyoki, Uchiko, Ehime Prefecture, Shikoku Island, Japan. Aurihydrargyrumite with a metallic silver luster occurs as a submicron- to 2 μm-thick layer on the outermost surface of the placer gold. A prismatic face may be formed by {001} and {100} or {110}. The streak is also silver white and its Mohs hardness value is ca. 2.5. Its tenacity is ductile and malleable, and its density, as calculated based on the empirical formula and powder unit-cell data, is 16.86 g·cm−3. The empirical formula of aurihydrargyrumite, on the basis of 11 Au + Hg, is Au5.95Hg5.05. Aurihydrargyrumite is hexagonal, P63/mcm, with the lattice parameters a = 6.9960(10) Å, c = 10.154(2) Å and V = 430.40(15) Å3, which is identical with the synthetic Au6Hg5 phase. The seven strongest lines in the powder X-ray diffraction (XRD) pattern [d in Å(I/I0)(hkl)] were 2.877(29)(112), 2.434(42)(113), 2.337(100)(104), 2.234(87)(211), 1.401(39)(314), 1.301(41)(404), and 1.225(65)(217). Aurihydrargyrumite forms through the weathering of mercury-bearing placer gold by involvement of self-electrorefining. This new mineral has been approved by the IMA-CNMNC (2017-003) and it is named for its composition, being a natural amalgam of gold (Latin: aurum) and mercury (Latin: hydrargyrum).


2018 ◽  
Vol 82 (4) ◽  
pp. 863-876 ◽  
Author(s):  
Martin Števko ◽  
Jiří Sejkora ◽  
Pavel Uher ◽  
Fernando Cámara ◽  
Radek Škoda ◽  
...  

ABSTRACTThe new mineral fluorarrojadite-(BaNa), ideally BaNa4CaFe13Al(PO4)11(PO3OH)F2 was found on the dump of Elisabeth adit near Gemerská Poloma, Slovakia. It occurs in hydrothermal quartz veins intersecting highly fractionated, topaz–zinnwaldite S-type leucogranite. Fluorarrojadite-(BaNa) is associated with fluorapatite, ‘fluordickinsonite-(BaNa)’, triplite, viitaniemiite and minor amounts of other minerals. It forms fine-grained irregular aggregates up to 4 cm x 2 cm, which consist of individual anhedral grains up to 0.01 mm in size. It has a yellowish-brown to greenish-yellow colour, very pale yellow streak and a vitreous to greasy lustre. Mohs hardness is ~4½ to 5. The fracture is irregular and the tenacity is brittle. The measured density is 3.61(2) g cm–3 and calculated density is 3.650 g cm–3. Fluorarrojadite-(BaNa) is biaxial (+) and nonpleochroic. The calculated refractive index based on empirical formula is 1.674. The empirical formula (based on 47 O and 3 (OH + F) apfu) is A1(Ba0.65K0.35)Σ1.00 A2Na0.35 B1(Na0.54Fe0.46)Σ1.00 B2Na0.54Ca(Ca0.74Sr0.20Pb0.02Ba0.04)Σ1.00Na2 Na3Na0.46 M(Fe7.16Mn5.17Li0.37Mg0.12Sc0.08Zn0.06Ga0.02Ti0.02)Σ13.00 Al1.02P11O44PO3.46(OH)0.54 W(F1.54OH0.46). Fluorarrojadite-(BaNa) is monoclinic, space group Cc, a = 16.563(1) Å, b = 10.0476(6) Å, c = 24.669(1) Å, β = 105.452(4)°, V = 3957.5(4) Å3 and Z = 4. The seven strongest reflections in the powder X-ray diffraction pattern are [dobs in Å, (I), hkl]: 3.412, (21), 116; 3.224, (37), 206; 3.040, (100), 42$\bar 4$; 2.8499, (22), 33$\bar 3$; 2.7135, (56), 226; 2.5563, (33), 028 and 424; 2.5117, (23), 040. The new mineral is named according to the nomenclature scheme of arrojadite-group minerals, approved by the IMA CNMNC. In fluorarrojadite-(BaNa), Fe2+ is a dominant cation at the M site (so the root-name is arrojadite) and two suffixes are added to the root-name according to the dominant cation of the dominant valence state at the A1 (Ba2+) and B1 sites (Na+). A prefix fluor is added to the root-name as F– is dominant over (OH)– at the W site.


2018 ◽  
Vol 83 (03) ◽  
pp. 393-400
Author(s):  
Anna Vymazalová ◽  
Kari Kojonen ◽  
František Laufek ◽  
Bo Johanson ◽  
Chris J. Stanley ◽  
...  

AbstractPampaloite, AuSbTe, is a new mineral discovered in the Pampalo gold mine, 65 km east of Joensuu, Finland. It forms anhedral grains (up to ~20 μm) intergrown with gold, frohbergite and altaite. Pampaloite is brittle and has a metallic lustre. Values of VHN25 lie between 245 and 295 kg/mm2, with a mean value of 276 kg/mm2, corresponding to a Mohs hardness of ~4–5 (measured on synthetic material). In plane-polarised light, pampaloite is white with medium to strong bireflectance, weak reflectance pleochroism from slightly pinkish brown to slightly bluish white (only visible in grains of synthetic material containing multiple orientations), and strong anisotropy, with blue to light brown rotation tints; it exhibits no internal reflections. Reflectance values of pampaloite in air (R1, R2 in %) are: 60.0, 62.5 at 470 nm, 62.5, 64.8 at 546 nm, 63.2, 65.6 at 589 nm and 63.7, 66.0 at 650 nm. Ten electron-microprobe analyses of natural pampaloite give an average composition: Au 44.13, Sb 27.44 and Te 28.74, total 100.31 wt.%, corresponding to the empirical formula Au1.00Sb1.00Te1.00 based on 3 atoms; the average of eleven analyses on synthetic pampaloite is: Au 44.03, Sb 27.26, and Te 29.08, total 100.38 wt.%, corresponding to Au0.99Sb1.00Te1.01. The density, calculated on the basis of the empirical formula, is 9.33 g/cm3.The mineral is monoclinic, space group C2/c, with a = 11.947(3), b = 4.481(1) Å, c = 12.335(3) Å, β = 105.83(2)°, V = 635.3(3) Å3 and Z = 8. The crystal structure was solved and refined from the single-crystal X-ray-diffraction data of synthetic AuSbTe. The pampaloite crystal structure can be considered as a monoclinic derivative of the CdI2 structure composed of [AuTe3Sb3] octahedra. The strongest lines in the powder X-ray diffraction pattern of synthetic pampaloite [d in Å (I) (hkl)] are: 4.846(24)($\bar{2}$02), 3.825(18)(111), 2.978(100)($\bar{3}$11), 2.968(50)(004), 2.242(25)(020), 2.144(55)(313), 2.063(33)($\bar{3}$15) and 1.789(18)(024).


2020 ◽  
Vol 58 (5) ◽  
pp. 549-562
Author(s):  
Anatoly V. Kasatkin ◽  
Fabrizio Nestola ◽  
Radek Škoda ◽  
Nikita V. Chukanov ◽  
Atali A. Agakhanov ◽  
...  

ABSTRACT Hingganite-(Nd), ideally Nd2□Be2Si2O8(OH)2, is a new gadolinite group, gadolinite supergroup mineral discovered at Zagi Mountain, near Kafoor Dheri, about 4 km S of Warsak and 30 km NW of Peshawar, Khyber Pakhtunkhwa Province, Pakistan. The new mineral forms zones measuring up to 1 × 1 mm2 in loose prismatic crystals up to 0.7 cm long, where it is intergrown with hingganite-(Y). Other associated minerals include aegirine, microcline, fergusonite-(Y), and zircon. Hingganite-(Nd) is dark greenish-brown, transparent, has vitreous luster and a white streak. It is brittle and has a conchoidal fracture. No cleavage or parting are observed. Mohs hardness is 5½–6. Dcalc. = 4.690 g/cm3. Hingganite-(Nd) is non-pleochroic, optically biaxial (+), α = 1.746(5), β = 1.766(5), γ = 1.792(6) (589 nm). 2Vmeas. = 80(7)°; 2Vcalc. = 84°. Dispersion of optical axes was not observed. The average chemical composition of hingganite-(Nd) is as follows (wt.%; electron microprobe, BeO, B2O3, and Lu2O3 content measured by LA-ICP-MS; H2O calculated by stoichiometry): BeO 9.64, CaO 0.45, MnO 0.10, FeO 3.03, B2O3 0.42, Y2O3 8.75, La2O3 1.63, Ce2O3 12.89, Pr2O3 3.09, Nd2O3 16.90, Sm2O3 5.97, Eu2O3 1.08, Gd2O3 5.15, Tb2O3 0.50, Dy2O3 2.50, Ho2O3 0.33, Er2O3 0.84, Tm2O3 0.10, Yb2O3 0.44, Lu2O3 0.04, ThO2 0.13, SiO2 23.55, H2O 2.72, total 100.25. The empirical formula calculated on the basis of 2 Si apfu is (Nd0.513Ce0.401Y0.395Sm0.175Gd0.145Pr0.096Dy0.068La0.051Ca0.041Eu0.031Er0.022Tb0.014Yb0.011Ho0.009Tm0.003Th0.003Lu0.001)Σ1.979(□0.778Fe2+0.215Mn0.007)Σ1.000(Be1.967B0.062)Σ2.029Si2O8.46(OH)1.54. Hingganite-(Nd) is monoclinic, space group P21/c with a = 4.77193(15), b = 7.6422(2), c = 9.9299(2) Å, β = 89.851(2)°, V = 362.123(14) Å3, and Z = 2. The strongest lines of the powder X-ray diffraction pattern [d, Å (I, %) (hkl)] are: 6.105 (95) (011), 4.959 (56) (002), 4.773 (100) (100), 3.462 (58) (102), 3.122 , 3.028 (61) (013), 2.864 (87) (121), 2.573 (89) (113). The crystal structure of hingganite-(Nd) was refined from single-crystal X-ray diffraction data to R = 0.034 for 2007 unique reflections with I > 2σ(I). The new mineral is named as an analogue of hingganite-(Y), hingganite-(Yb), and hingganite-(Ce), but with Nd dominant among the rare earth elements.


2011 ◽  
Vol 75 (5) ◽  
pp. 2677-2686 ◽  
Author(s):  
L. Bindi ◽  
C. Carbone ◽  
R. Cabella ◽  
G. Lucchetti

AbstractBassoite, ideally SrV3O7·4H2O, is a new mineral from the Molinello manganese mine, Val Graveglia. eastern Liguria, northern Apennines, Italy. It occurs as black euhedral to subhedral grains up to 400 urn across, closely associated with rhodonite, quartz and braunite. Bassoite is opaque with a sub-metallic lustre and a black streak. It is brittle and neither fracture nor cleavage was observed; the Vickers micro-hardness (VHN100) is 150 kg/mm (range 142—165; corresponding to a Mohs hardness of 4—41/2). The calculated density is 2.940 g/cm3 (on the basis of the empirical formula and X-ray single-crystal data). Bassoite is weakly bireflectant and very weakly pleochroic from grey to a dark green. Internal reflections are absent. The mineral is anisotropic, without characteristic rotation tints. Reflectance percentages (Rmin and Rmax) for the four standard COM wavelengths are 18.5%, 19.0% (471.1 nm); 17.2%, 17.8% (548.3 nm); 16.8%, 17.5% (586.6 nm) and 16.2%, 16.8% (652.3 nm), respectively.Bassoite is monoclinic, space group P21/m, with unit-cell parameters: a = 5.313(3) Å, b = 10.495(3) Å, c = 8.568(4) Å, β = 91.14(5)°, V= 477.7(4) Å3, a:b:c = 0.506:1:0.816, and Z = 2. The crystal structure was refined to R1 = 0.0209 for 1148 reflections with Fo > 4σ(Fo) and it consists of layers of VO5 pyramids (with vanadium in the tetravalent state) pointing up and down alternately with Sr between the layers (in nine-fold coordination). The nine most intense X-ray powder-diffraction lines [d in Å (I/I0) (hkt)] are: 8.5663 (100) (001); 6.6363 (14) (011); 3.4399 (14) (1̄21); 3.4049 (17) (121); 2.8339 (15) (1̄22); 2.7949 (11) (122); 2.6550 (15) (200); 2.6237 (11) (040) and 1.8666 (15) (240). Electron microprobe analyses produce a chemical formula (Sr0.97Ca0.02Na0.01)V3.00O74H20, on the basis of 2(Sr+Ca+Na) = 1, taking the results of the structure refinement into account. The presence of water molecules was confirmed by micro-Raman spectroscopy. The name honours Riccardo Basso (b. 1947), full professor of Mineralogy and Crystallography at the University of Genova. The new mineral and mineral name have been approved by the Commission on New Minerals, Nomenclature and Classification, IMA (2011-028).


1988 ◽  
Vol 41 (5) ◽  
pp. 807 ◽  
Author(s):  
GB Robertson ◽  
PA Tucker

Evaporation of a methanol solution containing both mer -(PMe2Ph)3Cl3IrIII (1) and mer -(Pme2Ph)3H-trans-Cl2IrIII (2) yields a new crystalline species (3) which is morphologically distinct from either (1) or (2). The structure of (3) has been determined by single-crystal X-ray diffraction analysis. Crystals are monoclinic, space group P21/c, with a 15.747(2), b 10.305(1), c 16.790(2)Ǻ, β 92.75(3)� and Z 4, and contain, in approximately equal amounts, discrete molecules of both (1) and (2) distributed randomly in common lattice sites. Site content differs only according to whether there is H or Cl trans to the unique phosphine ligand . Structure refinement by full-matrix least-squares analysis (6183 reflections, 413 parameters) converged with R = 0.026, Rw = 0.034, and site occupancy factor for the unique chlorine atom equal to 0.530(4). Molecules each exhibit the conformation observed for pure (1) [pure (2) differs]. Derived metal- ligand distances are very similar to the weighted averages [53% (1), 47% (2)] of the corresponding distances in (1) and (2).


Author(s):  
Natalia V. Zubkova ◽  
Nikita V. Chukanov ◽  
Christof Schäfer ◽  
Konstantin V. Van ◽  
Igor V. Pekov ◽  
...  

Al analogue of chayesite (with Al > Fe3+) was found in a lamproite from Cancarix, SE Spain. The mineral forms green thick-tabular crystals up to 0.4 mm across in cavities. The empirical formula derived from EMP measurements and calculated on the basis of 17 Mg + Fe + Al + Si apfu is (K0.75 Na0.20 Ca0.11)Mg3.04 Fe0.99 Al1.18 Si11.80 O30. The crystal structure was determined from single crystal X-ray diffraction data ( R = 2.38%). The mineral is hexagonal, space group P 6/ mcc, a = 10.09199(12), c = 14.35079(19) Å, V = 1265.78(3) Å3, Z = 2. Fe is predominantly divalent. Al is mainly distributed between the octahedral A site and the tetrahedral T 2 site. The crystal chemical formula derived from the structure refinement is C (K0.73 Na0.16 Ca0.11)B (Na0.02)4 A(Mg0.42 Al0.29 Fe0.29)2 T 2(Mg0.71 Fe0.16 Al0.13)3 T 1(Si0.985 Al0.015)12 O30.


2014 ◽  
Vol 78 (7) ◽  
pp. 1629-1645 ◽  
Author(s):  
Anna Garavelli ◽  
Daniela Pinto ◽  
Donatella Mitolo ◽  
Luca Bindi

AbstractLeguernite, ideally Bi12.67O14(SO4)5, is a new mineral found in high-temperature fumarolic assemblages at La Fossa crater, Vulcano, Aeolian Islands, Italy. It occurs as aggregates of needleshaped crystals associated strictly with anglesite, balićžunićite and an unknown Bi sulfate. Leguernite is colourless to white, transparent, non-fluorescent, has a sub-adamantine lustre and a white streak. Electron microprobe data led to the chemical formula (on the basis of 34 anions p.f.u.) (Bi12.40Pb0.15)Σ=12.55S5.08O34. The calculated density is 7.375 g cm–3. A Raman spectrum collected on a single crystal of leguernite confirmed the anhydrous nature of the mineral.Leguernite is monoclinic, space group P2, with a = 11.2486(11), b = 5.6568(6), c = 11.9139(10) Å , β = 99.177(7)º, V = 748.39(12) Å3 and Z = 1. The crystal structure is built up of Bi–O blocks of a fluorite-like structure with Bi12O14 composition separated by a single sulfate ion along [100] and by Bi(SO4)45– groups along [101]. It can also be described as composed of (001) layers with composition [Bi12O14(SO4)6+]n alternating with layers of composition [Bi(SO4)4]n5– along [001]. Leguernite shows significant similarities with the synthetic Bi14O16(SO4)5 compound.The eight strongest reflections in the powder X-ray diffraction data [d in Å (I) (hkl)] are: 3.220 (100) (013), 3.100 (95) (11), 2.83 (30) (020), 2.931 (25) (302), 2.502 (25) (04), 2.035 (20) (322), 1.875 (20) (24) and 5.040 (15) (110).The name is in honour of Franc¸ois “Fanfan” Le Guern (1942–2011), who was a very active volcanologist and specialist in volcanic gases and sublimates. Both the mineral and the mineral name have been approved by the IMA-CNMNC (2013–051).


2014 ◽  
Vol 78 (3) ◽  
pp. 497-505 ◽  
Author(s):  
A. V. Kasatkin ◽  
J. Plášil ◽  
J. Marty ◽  
A. A. Agakhanov ◽  
D. I. Belakovskiy ◽  
...  

AbstractNestolaite (IMA 2013-074), CaSeO3·H2O, is a new mineral species from the Little Eva mine, Grand County, Utah, USA. It is named in honour of the prominent Italian mineralogist and crystallographer Fabrizio Nestola. The new mineral was found on sandstone matrix as rounded aggregates up to 2 mm across and up to 0.05 μm thick consisting of tightly intergrown oblique-angled, flattened to acicular crystals up to 30 μm long and up to 7 μm (very rarely up to 15 μm) thick. Nestolaite associates with cobaltomenite, gypsum, metarossite, orschallite and rossite. The new mineral is light violet and transparent with a white streak and vitreous lustre. The Mohs hardness is 2½. Nestolaite is brittle, has uneven fracture and perfect cleavage on {100}. The measured and calculated densities are Dmeas. = 3.18(2) g/cm3 and Dcalc. = 3.163 g/cm3. Optically, nestolaite is biaxial positive. The refractive indices are α = 1.642(3), β = 1.656(3), γ = 1.722(6). The measured 2V is 55(5)° and the calculated 2V is 51°. In transmitted light nestolaite is colourless. It does not show pleochroism but has strong pseudoabsorption caused by high birefringence. The chemical composition of nestolaite (wt.%, electronmicroprobe data) is: CaO 28.97, SeO2 61.14, H2O (calc.) 9.75, total 99.86. The empirical formula calculated on the basis of 4 O a.p.f.u. (atoms per formula unit) is Ca0.96Se1.02O3·H2O. The Raman spectrum is dominated by the Se–O stretching and O–Se–O bending vibrations of the pyramidal SeO3 groups and O–H stretching modes of the H2O molecules. The mineral is monoclinic, space group P21/c, with a = 7.6502(9), b = 6.7473(10), c = 7.9358(13) Å, β = 108.542 (12)°, V = 388.37(10) Å3 and Z = 4. The eight strongest powder X-ray diffraction lines are [dobs in Å(hkl) (Irel)]: 7.277 (100)(100), 4.949 (110)(37), 3.767 (002)(29), 3.630 (200)(58), 3.371 (020)(24), 3.163 (02)(74), 2.9783 (21)(74) and 2.7231 (112)(31). The crystal structure of nestolaite was determined by means of the Rietveld refinement from the powder data to Rwp = 0.019. Nestolaite possesses a layered structure consisting of CaΦ–SeO3 sheets, composed of edge-sharing polyhedra. Adjacent sheets are held by H bonds emanating from the single (H2O) group within the sheets. The nestolaite structure is topologically unique.


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