The crystal structure of klyuchevskite, K3Cu3(Fe,Al)O2(SO4)4, a new mineral from Kamchatka volcanic sublimates

1992 ◽  
Vol 56 (384) ◽  
pp. 411-416 ◽  
Author(s):  
M. G. Gorskaya ◽  
S. K. Filatov ◽  
I. V. Rozhdestvenskaya ◽  
L. P. Vergasova
Keyword(s):  
Crystal Structure ◽  
Optical Properties ◽  
Physical Properties ◽  
Unit Cell ◽  
New Mineral ◽  
Strong Anisotropy ◽  
Structural Analogue ◽  
Optical Indicatrix ◽  
Space Group ◽  
Perfect Cleavage

AbstractThe crystal structure of klyuchevskite, K3Cu3(Fe,Al)O2(SO4)4, was determined in space group I2 using the total of 715 independent reflections up to R 0.12. Klyuchevskite is a structural analogue of piypite (caratiite) K4Cu4O2(SO4)4MeCl with the substitution K+ + Cu2+ → (Fe3+,Al) + MeCl. Compared to piypite, the ordering of Cu2+ and Fe3+ cations in the klyuchevskite structure results in the distortion of the unit cell and in lowering the symmetry of the chains to 1.This brings about a more compact packing of the chains. The chain-like arrangement of the structure determines physical properties of the mineral, its acicular habit, perfect cleavage, strong anisotropy of optical properties and orientation of optical indicatrix.

Holtite: a new mineral allied to dumortierite

1971 ◽  
Vol 38 (293) ◽  
pp. 21-25 ◽  
Author(s):  
M. W. Pryce
Keyword(s):  
Optical Properties ◽  
Chemical Analysis ◽  
Western Australia ◽  
Prime Minister ◽  
Unit Cell ◽  
New Mineral ◽  
Space Group ◽  
Free Basis ◽  
X Ray ◽  
The Government

SummaryHoltite, a new mineral allied to dumortierite, occurred as pebbles with stibiotantalite and tantalite on an alluvial tin lease near Greenbushes, Western Australia, and is named after the late H. E. Holt, Prime Minister of Australia.The mineral is orthorhombic with a 11·905 Å, b 20·355 Å, c 4·690 Å, space group Pmcn, weak supercell 2a, 2b, c developed. Crystals are elongated along c, D 3·90 ± 0·02, hardness 8½, fluorescent. Optical properties α 1·743−1·746, mainly yellow, ‖ [001], β 1·756−1·759, colourless, γ 1·758−1·761, colourless, 2Vα 49−55°, r < v. X-ray powder data are given.Chemical analysis gave SiO2 20·30, Sb2O5 4·61, Al2O3 46·43, Ta2O5 11·24, Nb2O5 0·76, Fe2O3 0·27, MnO 0·05, TiO2 0·09, BeO 0·05, B2O3 1·82, Sb2O3 13·89, H2O+ 0·38, H2O− 0·08, sum 99·97%. On a water-free basis the unit cell contains Al24·5Sb2·56‴Ta1·36Sb0·76vNb0·16Fe0·10‴Be0·05Ti0·03Mn0·02B1·40‴Si9·09O66·85. Compared with dumortierite, 4[(A1,Fe)7BSi3O18] or 4 (X11O18), the holtite unit cell contains approximately 4(X10O17).Type material is preserved at the Government Chemical Laboratories, Perth, Western Australia.

NQR and Crystal Structure of 4,5-Dichloroimidazole, C3H2N2Cl2

1992 ◽  
Vol 47 (1-2) ◽  
pp. 177-181 ◽  
Author(s):  
Shi-Qi Dou ◽  
Alarich Weiss
Keyword(s):  
Crystal Structure ◽  
Phase Transition ◽  
Temperature Dependence ◽  
Room Temperature ◽  
Unit Cell ◽  
Space Group ◽  
Temperature Range ◽  
Temperature Coefficients ◽  
Group D

AbstractThe two line 35Cl NQR spectrum of 4,5-dichloroimidazole was measured in the temperature range 77≦ T/K ≦ 389. The temperature dependence of the NQR frequencies conforms with the Bayer model and no phase transition is indicated in the curves v ( 35Cl)= f(T). Also the temperature coefficients of the 35Cl NQR frequencies are "normal". At 77 K the 35Cl NQR frequencies are 37.409 MHz and 36.172 MHz and at 389 K 35.758 MHz and 34.565 MHz. The compound crystallizes at room temperature with the tetragonal space group D44-P41212, Z = 8 molecules per unit cell; at 295 K : a = 684.2(5) pm, c = 2414.0(20) pm. The relations between the crystal structure and the NQR spectrum are discussed.

Liudongshengite, Zn4Cr2(OH)12(CO3)·3H2O, a new mineral of the hydrotalcite supergroup, from the 79 mine, Gila County, Arizona, USA

2021 ◽  
Vol 59 (4) ◽  
pp. 763-769
Author(s):  
Hexiong Yang ◽  
Ronald B. Gibbs ◽  
Cody Schwenk ◽  
Xiande Xie ◽  
Xiangping Gu ◽  
...  
Keyword(s):  
Unit Cell ◽  
New Mineral ◽  
Unit Cell Parameters ◽  
Cell Parameters ◽  
New Mineral Species ◽  
General Chemical ◽  
Perfect Cleavage ◽  
Mohs Hardness ◽  
Trivalent Cations ◽  
Positively Charged

ABSTRACT A new mineral species, liudongshengite, ideally Zn4Cr2(OH)12(CO3)·3H2O, has been found in the 79 mine, Gila County, Arizona, USA. It occurs as micaceous aggregates or hexagonal platy crystals (up to 0.10 × 0.10 × 0.01 mm). The mineral is pinkish and transparent with white streak and vitreous luster. It is brittle and has a Mohs hardness of ∼1.5, with perfect cleavage on (001). No twinning or parting is observed macroscopically. The measured and calculated densities are 2.95 (3) and 3.00 g/cm3, respectively. Optically, liudongshengite is uniaxial (−), with ω = 1.720 (8), ε = 1.660 (7) (white light). An electron microprobe analysis, combined with the carbon content measured using an elemental combustion system equipped with mass spectrometry, yielded the empirical formula (Zn3.25Mg0.17Cr2.58)Σ6.00(OH)12(CO3)1.29·3H2O, based on (M2+ + M3+) = 6 apfu, where M2+ and M3+ are divalent and trivalent cations, respectively. Liudongshengite belongs to the quintinite group within the hydrotalcite supergroup and is the Cr-analogue of zaccagnaite-3R, Zn4Al2(OH)12(CO3)·3H2O. It is trigonal, with space group Rm and unit-cell parameters a = 3.1111(4), c = 22.682(3) Å, and V = 190.12(4) Å3. The crystal structure of liudongshengite is composed of positively charged brucite-like layers, [M2+1–xM3+x(OH)2]x+, alternating with negatively charged layers of (CO3)2–·3H2O. Compared to other minerals in the quintinite group, liudongshengite is remarkably enriched in M3+, with an M2+:M3+ ratio of 1.33:1. Like zaccagnaite-3R and many other hydrotalcite-type minerals, liudongshengite may also possess polytypes, as a series of synthetic hydrotalcite-type compounds with a general chemical formula [Zn4Cr2(OH)12]X2·4H2O, where X = Cl–, NO3–, or ½ SO42–, but with unit-cell parameters different from those for liudongshengite, have been reported previously.

Primäre und sekundäre Ethyl-und i-Propylsulfoniumsalze sowie Kristallstruktur von i-C3H7SH2+SbF6- [1]

1996 ◽  
Vol 51 (2) ◽  
pp. 277-285
Author(s):  
Rolf Minkwitz ◽  
Ulrike Lohmann ◽  
Hans Preut
Keyword(s):  
Crystal Structure ◽  
Structure Analysis ◽  
Bond Distance ◽  
Crystal Structure Analysis ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
Spectroscopic Methods ◽  
Sulfonium Salt ◽  
Space Group

Abstract The synthesis of salts of the type RnSH3-n+MF6- (R = C2H5, i-C3H7; n = 1, 2; M = As, Sb) by protonation of the corresponding thiols and sulfides in the superacid systems HF/MF5 is reported. The salts have been characterized by vibrational and NMR spectroscopic methods. Isopropylsulfonium hexafluoroantimonate is the first known example of a sulfonium salt, for which a SH bond distance has been determined by a crystal structure analysis, i-C3H7SH2+SbF6- crystallizes in the monoclinic space group P21/m with a = 568.0(4), b = 801.1(6), c = 1019.7(8) pm, β = 82.63(6) °, with two formula units per unit cell.

Methansulfinylchlorid-Lewissäure-Addukte CH3S(Cl)OMF5 (M = As, Sb) und Kristallstruktur von CH3S(Cl)OSbCl5 [1] / Methanesulfinylchloride Lewis Acid Adducts CH3S(Cl)OMF5 (M = As, Sb) and Crystal Structure of CH3S(Cl)OSbCl5 [1]

1996 ◽  
Vol 51 (1) ◽  
pp. 133-138 ◽  
Author(s):  
Rolf Minkwitz ◽  
Ulrike Lohmann ◽  
Hans Preut
Keyword(s):  
Crystal Structure ◽  
Nmr Spectroscopy ◽  
Lewis Acid ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
Space Group ◽  
New Compounds ◽  
Lewis Acid Adducts

Abstract CH3S(0)C1 reacts in HF as solvent with MF5 (M = As, Sb) to give products CH3S(Cl)OMF5 (M = As, Sb). The new compounds are stable below 253 K and were charac­ terized by Raman and NMR spectroscopy.In addition, the crystal structure of CH3S(Cl)OSbCl5 has been determinated. The complex crystallizes in the monoclinic space group P21/n with a = 644.3(5), b = 1905.9(14), c = 900.0(7) pm, β = 99.27(6)° with four formula units per unit cell.

Über die Kristallstruktur von KSc2 F7 / The Crystal Structure of KSc2 F7

1985 ◽  
Vol 40 (6) ◽  
pp. 726-729 ◽  
Author(s):  
Klaus Güde ◽  
Christoph Hebecker
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Unit Cell ◽  
Space Group ◽  
X Ray ◽  
Monoclinic Unit Cell ◽  
R Value ◽  
Ray Methods

Abstract Single crystals of KSc2F7 have been prepared from a mixture of KF and ScF3 . The samples were investigated by X-ray methods. KSc2F7 crystallizes orthorhombically with a = 10.643(2), b = 6.540(1), c = 4.030(1) Å. These data indicate a close crystallographic connection to the monoclinic unit cell of KIn2F7 [1], But in contrast to KIn2F7 , KSc2 F7 crystallizes in space group No. 65. Cmmm - D192h. The R-value for 341 observed independent reflections is 0.060.

scholarly journals The crystal structure of alstonite, BaCa(CO3)2: an extraordinary example of ‘hidden’ complex twinning in large single crystals

2020 ◽  
Vol 84 (5) ◽  
pp. 699-704
Author(s):  
Luca Bindi ◽  
Andrew C. Roberts ◽  
Cristian Biagioni
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Structure Determination ◽  
Unit Cell ◽  
Crystal Structure Determination ◽  
Unit Cell Parameters ◽  
Space Group ◽  
Cell Parameters ◽  
Structure Determinations

AbstractAlstonite, BaCa(CO3)2, is a mineral described almost two centuries ago. It is widespread in Nature and forms magnificent cm-sized crystals. Notwithstanding, its crystal structure was still unknown. Here, we report the crystal-structure determination of the mineral and discuss it in relationship to other polymorphs of BaCa(CO3)2. Alstonite is trigonal, space group P31m, with unit-cell parameters a = 17.4360(6), c = 6.1295(2) Å, V = 1613.80(9) Å3 and Z = 12. The crystal structure was solved and refined to R1 = 0.0727 on the basis of 4515 reflections with Fo > 4σ(Fo) and 195 refined parameters. Alstonite is formed by the alternation, along c, of Ba-dominant and Ca-dominant layers, separated by CO3 groups parallel to {0001}. The main take-home message is to show that not all structure determinations of minerals/compounds can be solved routinely. Some crystals, even large ones displaying excellent diffraction quality, can be twinned in complex ways, thus making their study a crystallographic challenge.

Anionische Komplexe [Mo2(O2CPh)4X2]2⊖ mit X = N3, Cl, Br. Die Kristallstruktur von (PPh4)2[Mo2(O2CPh)4Cl2] · 2CH2Cl2 / Anionic Complexes [Mo2(O2C-Ph)4X2]2⊖ with X = N3, Cl, Br. The Crystal Structure of (PPh4)2[Mo2(O2C-Ph)4Cl2] · 2CH2Cl2

1985 ◽  
Vol 40 (1) ◽  
pp. 13-18 ◽  
Author(s):  
Kay Jansen ◽  
Kurt Dehnicke ◽  
Dieter Fenske
Keyword(s):  
Crystal Structure ◽  
Ir Spectra ◽  
Diffraction Data ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Lattice Constants ◽  
Anionic Complexes

The syntheses and IR spectra of the complexes [Mo2(O2C-Ph)4X2]2⊖ with X = N3, CI, Br and the counter ion PPh4⊕ are reported. The azido and the bromo complexes are obtained from a solution of [Mo2(O2CPh)4] with PPh4N3 in pyridine or by reaction with PPh4Br in CH2Br2, respectively. When (PPh4)2[Mo2(O2CPh)4(N3)2] is dissolved in CH2Cl2, nitrogen is evolved and the complex with X = CI is obtained. The crystal structure of (PPh4)2[Mo2(O2CPh)4Cl2] · 2CH2Cl2 was determined from X-ray diffraction data (5676 observed independent reflexions, R = 0.042). It crystallizes in the monoclinic space group P21/n with four formula units per unit cell; the lattice constants are a = 1549, b = 1400, c = 1648 pm, β = 94.6°. The centrosymmetric [Mo2(O2CPh)4Cl2]2⊖ ion has a rather short Mo-Mo bond of 213 pm, whereas the MoCl bonds are very long (288 pm)

Nitrido-und Oxochlorokomplexe des Vanadiums(V); die Kristallstruktur von AsPh4 [V0C14] Nitrido and Oxochloro Complexes of Vanadium(V); the Crystal Structure of AsPh4[VOCl4]

1980 ◽  
Vol 35 (5) ◽  
pp. 522-525 ◽  
Author(s):  
Gisela Beindorf ◽  
Joachim Strähle ◽  
Wolfgang Liebelt ◽  
Kurt Dehnicke
Keyword(s):  
Crystal Structure ◽  
Ir Spectra ◽  
Bond Length ◽  
Bond Angle ◽  
Unit Cell ◽  
X Ray Diffraction ◽  
Linear Arrangement ◽  
Space Group ◽  
X Ray ◽  
Complex Anions

The complexes AsPh4[Cl4V = N-Cl] and AsPh4[VOCl4] are prepared by the reaction of AsPh4Cl with Cl3VNCl and VOCl3, respectively. The IR spectra indicate C4v symmetry for the complex anions with multiple VN and VO bonds and a linear arrangement for the VNCl-group. AsPh4[VOCl4] crystallizes in the tetragonal space group P4/n with two formula units in the unit cell. The crystal structure was solved by X-ray diffraction methods (R = 0,062, 1096 observed, independent reflexions). The structure consists of AsPh4+ cations and [VOCl4]- anions with symmetry C4v. The extremely short VO bond length corresponds with a VO triple; its steric requirements cause the relatively large bond angle OVCl of 103.4°.

scholarly journals Crystal Chemistry and High-Temperature Behaviour of Ammonium Phases NH4MgCl3·6H2O and (NH4)2Fe3+Cl5·H2O from the Burned Dumps of the Chelyabinsk Coal Basin

Minerals ◽  
2019 ◽  
Vol 9 (8) ◽  
pp. 486 ◽  
Author(s):  
Andrey A. Zolotarev ◽  
Elena S. Zhitova ◽  
Maria G. Krzhizhanovskaya ◽  
Mikhail A. Rassomakhin ◽  
Vladimir V. Shilovskikh ◽  
...  
Keyword(s):  
Crystal Structure ◽  
High Temperature ◽  
Unit Cell ◽  
X Ray Diffraction ◽  
Coal Basin ◽  
Unit Cell Parameters ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
Mineral Phases

The technogenic mineral phases NH4MgCl3·6H2O and (NH4)2Fe3+Cl5·H2O from the burned dumps of the Chelyabinsk coal basin have been investigated by single-crystal X-ray diffraction, scanning electron microscopy and high-temperature powder X-ray diffraction. The NH4MgCl3·6H2O phase is monoclinic, space group C2/c, unit cell parameters a = 9.3091(9), b = 9.5353(7), c = 13.2941(12) Å, β = 90.089(8)° and V = 1180.05(18) Å3. The crystal structure of NH4MgCl3·6H2O was refined to R1 = 0.078 (wR2 = 0.185) on the basis of 1678 unique reflections. The (NH4)2Fe3+Cl5·H2O phase is orthorhombic, space group Pnma, unit cell parameters a = 13.725(2), b = 9.9365(16), c = 7.0370(11) Å and V = 959.7(3) Å3. The crystal structure of (NH4)2Fe3+Cl5·H2O was refined to R1 = 0.023 (wR2 = 0.066) on the basis of 2256 unique reflections. NH4MgCl3·6H2O is stable up to 90 °C and then transforms to the less hydrated phase isotypic to β-Rb(MnCl3)(H2O)2 (i.e., NH4MgCl3·2H2O), the latter phase being stable up to 150 °C. (NH4)2Fe3+Cl5·H2O is stable up to 120 °C and then transforms to an X-ray amorphous phase. Hydrogen bonds provide an important linkage between the main structural units and play the key role in determining structural stability and physical properties of the studied phases. The mineral phases NH4MgCl3·6H2O and (NH4)2Fe3+Cl5·H2O are isostructural with natural minerals novograblenovite and kremersite, respectively.

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