scholarly journals Mereheadite, Pb2O(OH)Cl: a new litharge-related oxychloride from Merehead Quarry, Cranmore, Somerset

1998 ◽  
Vol 62 (3) ◽  
pp. 387-393 ◽  
Author(s):  
M. D. Welch ◽  
A. J. Criddle ◽  
R. F. Symes

AbstractMereheadite, ideally Pb2O(OH)Cl, is a new mineral related to litharge and which is structurally similar to synthetic bismuth-oxyhalides. With other lead- and lead-copper oxychlorides, it occupies lenses and cavities in veins of manganese and iron oxide minerals which cut through a sequence of dolomitic limestones at Merehead quarry, Cranmore, Somerset (51°12′N, 2°26′W) Mereheadite is pale yellow to reddish-orange, transparent to translucent and has a white streak and a vitreous or resinous lustre. It is not fluorescent. Individual grains, up to a few mm across, cluster together in compact masses of 10–30 mm in size, but discrete crystals have not been observed. Specular reflectance data on randomly orientated grains from 400 to 700 nm are provided, and refractive indices calculated from these at 590 nm range from 2.19 to 2.28. H = 3.5, VHN100 = 171, D(meas) = 7.12(10) g/cm3, Dcalc = 7.31 g/cm3. The mineral is brittle with an uneven, conchoidal to hackly fracture and has a perfect (001) cleavage which is parallel to the sheets of PbO and Cl. It is intimately associated with mendipite, blixite, cerussite, hydrocerussite and calcite in lenses and pods in the veins. Other minerals which occupy cavities in these veins include chloroxiphite, paralaurionite, parkinsonite and the borosilicate datolite. Mereheadite is monoclinic, space group C2/c, and its cell parameters, refined from powder X-ray diffraction are: a = 5.680(2), b = 5.565(3), c = 13.143(9) Å, β=90.64(4)°, V = 415.4 (8) Å3, Z = 4. The ten strongest reflections in the X-ray powder diffraction pattern are [d in Å, (I, hkl)]: 2.930(10,113), 3.785(5,111, –111), 2.825(4,200), 6.581(4,002), 2.182(4,115), 2.780(4,020), 3.267(4,004), 1.980(3,–220), 1.695(3,224,132,117), 1.716(3,026). Its empirical formula is Pb8O4.19(BO3)0.51 (CO3)0.62(OH)0.76Cl4.09. Although it is very similar chemically to blixite, it has notably different cell parameters. There is some uncertainty about the essential nature of boron and carbon in natural mereheadite. This stems from the impossibility of ensuring the purity of samples for wet-chemical analysis, and from the predominance of lead in the structure of the mineral which has meant that the location of boron and carbon within the mereheadite structure is unresolved, 11B MAS NMR does show, however, that boron is present as BO3 groups. The structure consists of alternating PbO sheets and layers of chlorine atoms. Each lead atom is coordinated to four chlorines and four O/OH in a square antiprism configuration. As such, it is structurally-related to nadorite, thorikosite and schwartzembergite. Comparisons with structurally analogous phases such as bismuth oxychlorides and bismutite (Bi2O2CO3) suggest that the BO3 and CO3 groups are likely to replace chlorine in the layer between PbO sheets. The composition of natural mereheadite is defined by three end-members: the mereheadite end-member Pb2O(OH)Cl, and two fictive end-members Pb2(OH)2CO3 and Pb4O(OH)3BO3.

2018 ◽  
Vol 83 (02) ◽  
pp. 223-231 ◽  
Author(s):  
Viktor M. Okrugin ◽  
Sharapat S. Kudaeva ◽  
Oxana V. Karimova ◽  
Olga V. Yakubovich ◽  
Dmitry I. Belakovskiy ◽  
...  

AbstractThe new mineral novograblenovite, (NH4,K)MgCl3·6H2O, was found on basaltic lava from the 2012–2013 Tolbachik fissure eruption at the Plosky Tolbachik volcano, Kamchatka Peninsula, Russia. It occurs as prismatic, needle-like transparent crystals together with gypsum and halite. Novograblenovite was formed due to the exposure of the host rocks to eruptive gas exhalations enriched in HCl and NH3. Basalt was the source of potassium and magnesium for the mineral formation. Novograblenovite crystallises in the monoclinic space group C2/c, with unit-cell parameters a = 9.2734(3) Å, b = 9.5176(3) Å, c = 13.2439(4) Å, β = 90.187(2)°, V = 1168.91(2) Å3 and Z = 4. The five strongest reflections in the powder X-ray diffraction pattern [dobs, Å (I, %) (h k l)] are: 3.330 (100) (2 2 0), 2.976 (45) ($\bar{1}\; 1\; 4$), 2.353 (29) ($\bar {2}\; 2\; 4$), 3.825 (26) (2 0 2), 1.997 (25) ($\overline {4\; 2} $ 2). The density calculated from the empirical formula and the X-ray data is 1.504 g cm–3. The mineral is biaxial (+) with α = 1.469(2), β = 1.479(2) and γ = 1.496(2) (λ = 589 nm); 2Vmeas. = 80(10)° and 2Vcalc. = 75.7°. The crystal structure (solved and refined using single-crystal X-ray diffraction data, R1 = 0.0423) is based on the perovskite-like network of (NH4,K)Cl6-octahedra sharing chlorine vertices, and comprises [Mg(H2O)6]2+ groups in framework channels. The positions of all independent H atoms were obtained by difference-Fourier techniques and refined isotropically. All oxygen, nitrogen and chlorine atoms are involved in the system of hydrogen bonding, acting as donors or acceptors. The formula resulting from the structure refinement is [(NH4)0.7K0.3]MgCl3·6H2O. The mineral is named after Prokopiy Trifonovich Novograblenov, one of the researchers of Kamchatka Peninsula, a teacher, naturalist, geographer and geologist.


2020 ◽  
Vol 84 (4) ◽  
pp. 584-592 ◽  
Author(s):  
Cristian Biagioni ◽  
Jiří Sejkora ◽  
Silvia Musetti ◽  
Dalibor Velebil ◽  
Marco Pasero

AbstractTetrahedrite-(Hg), Cu6(Cu4Hg2)Sb4S13, has been approved as a new mineral species using samples from Buca della Vena mine (hereafter BdV), Italy, Jedová hora (Jh), Czech Republic and Rožňava (R), Slovakia. It occurs as anhedral grains or as tetrahedral crystals, black in colour, with metallic lustre. At BdV it is associated with cinnabar and chalcostibite in dolomite veins. At Jh, tetrahedrite-(Hg) is associated with baryte and chalcopyrite in quartz–siderite–dolomite veins; at R it is associated with quartz in siderite–quartz veins. Tetrahedrite-(Hg) is isotropic, greyish-white in colour, with creamy tints. Minimum and maximum reflectance data for Commission on Ore Mineralogy wavelengths in air (BdV sample), R in %) are 32.5 at 420 nm; 32.9 at 546 nm; 33.2 at 589 nm; and 30.9 at 650 nm. Chemical formulae of the samples studied, recalculated on the basis of 4 (As + Sb + Bi) atoms per formula unit, are: (Cu9.44Ag0.07)Σ9.51(Hg1.64Zn0.36Fe0.06)Σ2.06Sb4(S12.69Se0.01)Σ12.70 (BdV), Cu9.69(Hg1.75Fe0.25Zn0.06)Σ2.06(Sb3.94As0.06)S12.87 (Jh) and (Cu9.76Ag0.04) Σ9.80(Hg1.83Fe0.15Zn0.10)Σ2.08(Sb3.17As0.58Bi0.25)S13.01 (R). Tetrahedrite-(Hg) is cubic, I$\overline 4 $3m, with a = 10.5057(8) Å, V = 1159.5(3) Å3 and Z = 2 (BdV). Unit-cell parameters for the other two samples are a = 10.4939(1) Å and V = 1155.61(5) Å3 (Jh) and a = 10.4725(1) Å and V = 1148.55(6) Å3 (R). The crystal structure of tetrahedrite-(Hg) has been refined by single-crystal X-ray diffraction data to a final R1 = 0.019 on the basis of 335 reflections with Fo > 4σ(Fo) and 20 refined parameters. Tetrahedrite-(Hg) is isotypic with other members of the tetrahedrite group. Mercury is hosted at the tetrahedrally coordinated M(1) site, along with minor Zn and Fe. The occurrence of Hg at this position agrees both with the relatively large M(1)–S(1) bond distance (2.393 Å) and the refined site scattering. Previous occurrences of Hg-rich tetrahedrite and tetrahedrite-(Hg) are reviewed, and its relations with other Hg sulfosalts are discussed.


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.


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.


Author(s):  
Inês B. Trindade ◽  
Bruno M. Fonseca ◽  
Pedro M. Matias ◽  
Ricardo O. Louro ◽  
Elin Moe

Siderophore-binding proteins (SIPs) perform a key role in iron acquisition in multiple organisms. In the genome of the marine bacteriumShewanella frigidimarinaNCIMB 400, the gene tagged as SFRI_RS12295 encodes a protein from this family. Here, the cloning, expression, purification and crystallization of this protein are reported, together with its preliminary X-ray crystallographic analysis to 1.35 Å resolution. The SIP crystals belonged to the monoclinic space groupP21, with unit-cell parametersa= 48.04,b= 78.31,c= 67.71 Å, α = 90, β = 99.94, γ = 90°, and are predicted to contain two molecules per asymmetric unit. Structure determination by molecular replacement and the use of previously determined ∼2 Å resolution SIP structures with ∼30% sequence identity as templates are ongoing.


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).


1982 ◽  
Vol 26 ◽  
pp. 119-128 ◽  
Author(s):  
Ronald C. Gehringer ◽  
Gregory J. McCarthy ◽  
R.G. Garvey ◽  
Deane K. Smith

Solid solutions are pervasive in minerals and in industrial inorganic materials. The analyst is often called upon to provide qualitative and quantitative X-ray phase analysis for specimens containing solid solutions when all that is available are Powder Diffraction File (PDF) data or commercial standards for the end members. In an earlier paper (1) we presented several examples of substantial errors in accuracy of quantitative analysis that can arise when the crystallinity and composition of the analyte standard do not match those of the analyte in the sample of interest. We recommended that to obtain more accurate quantitative analyses, one should determine the analyte composition (e.g., from XRF on grains seen in a SEM or from comparison of cell parameters with those of the end members) and synthesize an analyte standard with this composition and with a crystallinity approximating that of the analyte (e.g., as determined from peak breadth or α1/ α2 splitting).


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 70 (a1) ◽  
pp. C1095-C1095
Author(s):  
Marcelo Andrade ◽  
Javier Ellena ◽  
Daniel Atencio

Fluorcalciomicrolite, Ca1.5Ta2O6F, and hydroxycalciomicrolite, Ca1.5Ta2O6(OH), are new microlite-group [1] minerals found in the Volta Grande pegmatite, Nazareno, Minas Gerais, Brazil. Both occur as octahedral and rhombododecahedral crystals. The crystals are colourless, yellow and translucent, with vitreous to resinous luster. The densities calculated for fluorcalciomicrolite [2] and hydroxycalciomicrolite are 6.160 and 6.176 g/cm3, respectively. The empirical formulae obtained from electron microprobe analysis are (Ca1.07Na0.81□0.12)Σ2(Ta1.84Nb0.14Sn0.02)Σ2[O5.93(OH)0.07]Σ6.00[F0.79(OH)0.21] for fluorcalciomicrolite and (Ca1.48Na0.06Mn0.01)Σ1.55(Ta1.88Nb0.11Sn0.01)Σ2O6[(OH)0.76F0.20O0.04] for hydroxycalmicrolite. Fluorcalciomicrolite is cubic, space group Fd-3m, a = 10.4191(6) Å, V = 1131.07(11) Å3, and Z = 8. Hydroxycalciomicrolite is also cubic; however, the presence of P-lattice is confirmed by the large number of weak reflections observed by X-ray diffraction. As a result, the space group is P4332 and unit-cell parameters are a = 10.4211(8) Å, and V = 1131.72(15) Å3.


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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