Dyrnaesite-(La) a new hyperagpaitic mineral from the Ilímaussaq alkaline complex, South Greenland

2017 ◽  
Vol 81 (1) ◽  
pp. 103-111 ◽  
Author(s):  
Jørn G. Rønsbo ◽  
Tonči Balić-Žunić ◽  
Ole V. Petersen
Keyword(s):  
Crystal Structure ◽  
Diffraction Data ◽  
Microprobe Analysis ◽  
Structural Formula ◽  
Accessory Mineral ◽  
New Mineral ◽  
Fracture Density ◽  
X Ray Diffraction ◽  
Alkaline Complex ◽  
X Ray

AbstractThe new mineral, dyrnaesite-(La), is found in the Ilímaussaq alkaline complex, South Greenland. The holotype material originates from an arfvedsonite lujavrite sheet as an accessory mineral. Dyrnaesite-(La) is pale yellowish green, with no cleavage and an irregular fracture. Density is 3.68(2)/3.682 g/cm3(measured/ calculated). It is biaxial, negative, 2Vα = 47(1)/48 (measured/calculated); α = 1.6226(5), β = 1.6852(10), γ = 1.6982(2);X=c,Y=a,Z=b. The average values of microprobe analyses are (wt.%) P2O537.17, SiO20.15, CaO 0.90, Na2O 20.06, La2O316.44, CeO220.23, Pr2O31.40, Nd2O33.47, Sm2O30.24, Dy2O30.06, Y2O30.06.The crystal structure was solved from single-crystal X-ray diffraction data. Dyrnaesite-(La) is orthorhombic,Pnma;a= 18.4662(7) Å,b= 16.0106(5) Å,c= 7.0274(2) Å,V= 2077.7(2) Å3,Z= 4. The structural formula calculated from the diffraction data and microprobe analysis is Na7.89(Ce0.94Ca0.06)∑1.00(Ca0.12La1.14Ce0.40Pr0.10Nd0.24)∑2.00(PO4)6, the simplified formula is Na8Ce4+REE2(PO4)6. The crystal structure is related closely to that of vitusite-(Ce), but is distinct from it in several aspects. The five strongest lines of the powder X-ray diffraction pattern are (d Å, (I %), (hkl)); 6.57 (100) (101), 4.62 (40) (301, 230, 400), 3.50 (40) (331), 2.80 (86) (232, 402), 2.67 (54) (060,630).

scholarly journals Roméite-Group Minerals Review: New Crystal Chemical and Raman Data of Fluorcalcioroméite and Hydroxycalcioroméite

Minerals ◽  
2021 ◽  
Vol 11 (12) ◽  
pp. 1409
Author(s):  
Gerson A. C. Lopes ◽  
Daniel Atencio ◽  
Javier Ellena ◽  
Marcelo B. Andrade
Keyword(s):  
Crystal Structure ◽  
Microprobe Analysis ◽  
Bond Valence ◽  
New Mineral ◽  
X Ray Diffraction ◽  
Crystallographic Site ◽  
Cubic Crystal ◽  
X Ray ◽  
New Mineral Species ◽  
Structural Formulas

The roméite-group is part of the pyrochlore-supergroup and comprises cubic oxides of A2B2X6Y formula in which Sb5+ predominates in the B-site. The A and Y main occupants determine different minerals in the group and are important for the discovery of new mineral species. Two different roméite-group mineral samples were analysed by electron microprobe analysis (EMPA), Raman spectroscopy and single-crystal X-ray diffraction (XRD). The first sample is from Prabornaz Mine (locality of the original roméite), Saint Marcel, Valle d’Aosta, Italy, whereas the other one occurs in Kalugeri Hill, Babuna Valley, Jakupica Mountains, Nezilovo, Veles, Macedonia. Sample 1 was identified as fluorcalcioroméite, and sample 2 as hydroxycalcioroméite. Both samples belong to the cubic crystal system, space group Fd3¯m, Z = 8, where a = 10.2881(13) Å, V = 1088.9(4) Å3 for sample 1, and a = 10.2970(13) Å, V = 1091.8(4) Å3 for sample 2. The crystal structure refinements converged to (1) R1 = 0.016, wR2 = 0.042; and (2) R1 = 0.023, wR2 = 0.049. Bond-valence calculations validated the crystal structure refinements determining the correct valences at each crystallographic site. Discrepancies observed in the Sb5+ bond-valence calculations were solved with the use of the proper bond valence parameters. The resulting structural formulas are (Ca1.29Na0.55□0.11Pb0.05)Σ=2.00(Sb1.71Ti0.29)Σ=2.00[O5.73(OH)0.27]Σ=6.00[F0.77O0.21(OH)0.02]Σ=1.00 for sample 1, and (Ca1.30Ce0.51□0.19)Σ=2.00(Sb1.08Ti0.92)Σ=2.00O6.00[(OH)0.61O0.21F0.18]Σ=1.00 for sample 2. The Raman spectra of the samples exhibited the characteristic bands of roméite-group minerals, the most evident corresponding to the Sb-O stretching at around 510 cm−1.

scholarly journals Crystal chemistry of fluorcarletonite, a new mineral from the Murun alkaline complex (Russia)

2020 ◽  
Vol 32 (1) ◽  
pp. 137-146 ◽  
Author(s):  
Ekaterina Kaneva ◽  
Tatiana Radomskaya ◽  
Ludmila Suvorova ◽  
Irina Sterkhova ◽  
Mikhail Mitichkin
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Structure Refinement ◽  
New Mineral ◽  
X Ray Diffraction ◽  
Alkaline Complex ◽  
Scanning Calorimetry ◽  
Oh Groups ◽  
X Ray ◽  
Weight Losses

Abstract. This paper reports the first description of the crystal structure and crystal chemical features of fluorcarletonite, a new mineral from the Murun potassium alkaline complex (Russia), obtained by means of single-crystal and powder X-ray diffraction (XRD), electron microprobe analysis (EMPA), thermogravimetry (TG), differential scanning calorimetry (DSC), and Fourier transform infrared (FTIR) spectroscopy. The crystal structure of fluorcarletonite, KNa4Ca4Si8O18(CO3)4(F,OH)⚫ H2O, a rare phyllosilicate mineral, contains infinite double-silicate layers composed of interconnected four- and eight-membered rings of SiO4 tetrahedra and connected through the interlayer K-, Na- and Ca-centered polyhedra and CO3 triangles. The X-ray diffraction analysis confirms the mineral to be tetragonal, P4∕mbm, a=13.219(1) Å, c=16.707(2) Å, V=2919.4(6) Å3 (powder XRD data), a=13.1808(5) Å, c=16.6980(8) Å, V=2901.0(3) Å3 (single-crystal XRD data, 100 K). The EMPA (average from 10 analyses) gave the following composition (wt %): SiO2 44.1(6), CaO 20.0(3), Na2O 11.1(3), K2O 4.5(2), F 1.3(5), TiO2 0.1(1) and Al2O3 0.03(3). The TG–DSC analysis confirmed the presence of H2O and CO2 (weight losses of 1.17 % and 14.9 %, respectively). The FTIR spectrum acquired in the range from 4000 to 400 cm−1 reveals the presence of H2O, CO3 and OH groups. The average formula of fluorcarletonite calculated from the results of EMPA and crystal structure refinement is K1.04Na3.89Ca3.87Ti0.01Si7.99Al0.01O18(CO3)3.86(F0.72OH0.28)⚫1.11H2O.

NIOBOHEFTETJERNITE, ScNbO4, A NEW MINERAL FROM THE BEFANAMO PEGMATITE, MADAGASCAR

2021 ◽  
Author(s):  
Inna Lykova ◽  
Ralph Rowe ◽  
Glenn Poirier ◽  
Andrew M. McDonald ◽  
Gerald Giester
Keyword(s):  
Crystal Structure ◽  
Raman Spectrum ◽  
Chemical Composition ◽  
Diffraction Data ◽  
Empirical Formula ◽  
New Mineral ◽  
X Ray Diffraction ◽  
X Ray ◽  
Black Streak ◽  
Reflectance Data

ABSTRACT A new mineral, nioboheftetjernite, ideally ScNbO4, was found in the Befanamo pegmatite, Analamanga, Madagascar. It occurs as anhedral grains and very crude elongated crystals up to 200 μm in length in an intergrowth with rossovskyite, ilmenite, rutile, thortveitite, euxenite-(Y), feldspar, and quartz. The mineral is black with dark-brown to black streak and submetallic luster. It has no cleavage and its fracture is uneven. Dcalc is 5.855 g/cm3. The Raman spectrum and reflectance data are reported. The chemical composition (wt.%) is MgO 0.06, MnO 2.49, Fe2O3 12.14, Sc2O3 11.34, TiO2 5.94, SnO2 1.45, Nb2O5 32.23, Ta2O5 29.93, WO3 3.38, total 98.96. The empirical formula calculated on the basis of 4 O apfu is (Sc0.40Fe3+0.37Ti0.15Mn2+0.08)Σ1.00(Nb0.58Ta0.33W0.03Ti0.03Sn0.02)Σ0.99O4. The simplified general formula is (Sc,Fe3+)(Nb,Ta)O4. Nioboheftetjernite is monoclinic, P2/c, a = 4.7092(3), b = 5.6531(4), c = 5.0530(4) Å, β = 90.453(3)°, and V = 134.515(17) Å3. The strongest reflections of the powder X-ray diffraction pattern [d,Å(I)(hkl)] are: 4.722(22)(100), 3.776(22)(011), 3.628(44)(110), , 2.938(83)(111), 2.472(30)(021), and . The crystal structure, refined from single-crystal X-ray diffraction data (R1 = 0.016), is of the “wolframite” type. The mineral is named as the Nb-analogue of heftetjernite, ScTaO4.

scholarly journals High-pressure synthesis and crystal structure of the mixed-cation borate Ga4In4B15O33(OH)3

2019 ◽  
Vol 74 (4) ◽  
pp. 357-363
Author(s):  
Daniela Vitzthum ◽  
Hubert Huppertz
Keyword(s):  
Crystal Structure ◽  
High Pressure ◽  
High Temperature ◽  
Diffraction Data ◽  
X Ray Diffraction ◽  
Synthesis And Crystal Structure ◽  
X Ray ◽  
Mixed Cation ◽  
High Pressure High Temperature ◽  
Pressure Synthesis

AbstractThe mixed cation triel borate Ga4In4B15O33(OH)3 was synthesized in a Walker-type multianvil apparatus at high-pressure/high-temperature conditions of 12.5 GPa and 1300°C. Although the product could not be reproduced in further experiments, its crystal structure could be reliably determined via single-crystal X-ray diffraction data. Ga4In4B15O33(OH)3 crystallizes in the tetragonal space group I41/a (origin choice 2) with the lattice parameters a = 11.382(2), c = 15.244(2) Å, and V = 1974.9(4) Å3. The structure of the quaternary triel borate consists of a complex network of BO4 tetrahedra, edge-sharing InO6 octahedra in dinuclear units, and very dense edge-sharing GaO6 octahedra in tetranuclear units.

Single-crystal investigation of Ce5AgxGe4−x (x = 0.1−1.08) with Sm5Ge4 type

2020 ◽  
Vol 75 (8) ◽  
pp. 765-768
Author(s):  
Bohdana Belan ◽  
Dorota Kowalska ◽  
Mariya Dzevenko ◽  
Mykola Manyako ◽  
Roman Gladyshevskii
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Diffraction Data ◽  
Binary Compound ◽  
Lattice Parameters ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray

AbstractThe crystal structure of the phase Ce5AgxGe4−x (x = 0.1−1.08) has been determined using single-crystal X-ray diffraction data for Ce5Ag0.1Ge3.9. This phase is isotypic with Sm5Ge4: space group Pnma (No. 62), Pearson code oP36, Z = 4, a = 7.9632(2), b = 15.2693(5), c = 8.0803(2) Å; R1 = 0.0261, wR2 = 0.0460, 1428 F2 values and 48 variables. The two crystallographic positions 8d and 4c show Ge/Ag mixing, leading to a slight increase in the lattice parameters as compared to those of the pure binary compound Ce5Ge4.

The crystal structure of gypsum-II determined by single-crystal synchrotron X-ray diffraction data

2010 ◽  
Vol 95 (4) ◽  
pp. 655-658 ◽  
Author(s):  
S. Nazzareni ◽  
P. Comodi ◽  
L. Bindi ◽  
L. Dubrovinsky
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Diffraction Data ◽  
X Ray Diffraction ◽  
X Ray

Refinement of the crystal structure of sieleckiite and revision of its symmetry

2017 ◽  
Vol 81 (4) ◽  
pp. 917-922
Author(s):  
Peter Elliott
Keyword(s):  
Crystal Structure ◽  
Synchrotron Radiation ◽  
Single Crystal ◽  
Diffraction Data ◽  
X Ray Diffraction ◽  
Aluminium Phosphate ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
Phosphate Mineral

AbstractThe crystal structure of the copper aluminium phosphate mineral sieleckiite, Cu3Al4(PO4)2 (OH)12·2H2O, from the Mt Oxide copper mine, Queensland, Australia was solved from single-crystal X-ray diffraction data utilizing synchrotron radiation. Sieleckiite has monoclinic rather than triclinic symmetry as previously reported and is space group C2/m with unit-cell parameters a = 11.711(2), b = 6.9233(14), c = 9.828(2) Å, β = 92.88(3)°, V = 795.8(3) Å3and Z = 2. The crystal structure, which has been refined to R1 = 0.0456 on the basis of 1186 unique reflections with Fo > 4σF, is a framework of corner-, edge- and face- sharing Cu and Al octahedra and PO4 tetrahedra.

The first proof of protonated anion tetrahedra in the tsumcorite-type compounds

2004 ◽  
Vol 68 (5) ◽  
pp. 757-767 ◽  
Author(s):  
T. Mihajlović ◽  
H. Effenberger
Keyword(s):  
Crystal Structure ◽  
Hydrothermal Synthesis ◽  
Single Crystal ◽  
Diffraction Data ◽  
Title Compound ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Hydrogen Atoms ◽  
Synthetic Compounds ◽  
X Ray

AbstractHydrothermal synthesis produced the new compound SrCo2(AsO4)(AsO3OH)(OH)(H2O). The compound belongs to the tsumcorite group (natural and synthetic compounds with the general formula M(1)M(2)2(XO4)2(H2O,OH)2; M(1)1+,2+,3+ = Na, K, Rb, Ag, NH4, Ca, Pb, Bi, Tl; M(2)2+,3+ = Al, Mn3+, Fe3+, Co, Ni, Cu, Zn; and X5+,6+ = P, As, V, S, Se, Mo). It represents (1) the first Sr member, (2) the until now unknown [7]-coordination for the M(1) position, (3) the first proof of (partially) protonated arsenate groups in this group of compounds, and (4) a new structure variant.The crystal structure of the title compound was determined using single-crystal X-ray diffraction data. The compound is monoclinic, space group P21/a, with a = 9.139(2), b = 12.829(3), c = 7.522(2) Å, β = 114.33(3)°, V = 803.6(3) Å3, Z = 4 [wR2 = 0.065 for 3530 unique reflections]. The hydrogen atoms were located experimentally.

Recrystallization of metamict allanite

2011 ◽  
Vol 75 (4) ◽  
pp. 2393-2399 ◽  
Author(s):  
T. Beirau ◽  
C. Paulmann ◽  
U. Bismayer
Keyword(s):  
Crystal Structure ◽  
Igneous Rocks ◽  
Accessory Mineral ◽  
Recrystallization Process ◽  
Radioactive Elements ◽  
X Ray Diffraction ◽  
Geological Time ◽  
Α Decay ◽  
X Ray ◽  
Structural Recovery

AbstractAllanite is a common accessory mineral in igneous rocks. Allanite becomes metamict over geological time-scales as a result of the α-decay of radioactive elements in the crystal structure. This study focuses on the recrystallization of metamict allanite from Savvushka, Russia. The structural recovery produced by annealing was investigated by X-ray powder diffraction, single-crystal synchrotron X-ray diffraction and infrared spectroscopy. A kinetic analysis is presented that shows that the recrystallization process proceeds by at least two different mechanisms.

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