The crystal structure of Na4(UO2)(CO3)3 and its relationship to schröckingerite

2001 ◽  
Vol 65 (2) ◽  
pp. 297-304 ◽  
Author(s):  
Yaping Li ◽  
S. V. Krivovichev ◽  
P. C. Burns
Keyword(s):  
Crystal Structure ◽  
Czech Republic ◽  
Goodness Of Fit ◽  
Framework Structure ◽  
Space Group ◽  
Carbonate Phase ◽  
Unique Data ◽  
Uranyl Carbonate ◽  
Heteropolyhedral Framework ◽  
Ore District

AbstractCrystals of the compound Na4(UO2)(CO3)3 have been synthesized and the structure has been solved. It is trigonal with a= 9.3417(6), c = 12.824(1) Å, V = 969.2(1) Å3, space group P3̄c1 and Z = 4. The structure was refined on the basis of F2 (wR2 = 4.2%) for all unique data collected using Mo-Kα X-radiation and a CCD-based detector. The final R1 was 2.0%, calculated for 534 unique observed (Fo ≥ 4σF) reflections, and the goodness-of-fit (S) was 0.91. The structure contains a uranyl tricarbonate cluster composed of a uranyl hexagonal bipyramid that shares three equatorial edges with CO3 triangles. The uranyl tricarbonate clusters are connected through NaO6 and NaO5 polyhedra, forming a heteropolyhedral framework structure. This compound may be related to a uranyl carbonate phase with the same composition which has been reported as an alteration phase on the surface of Chernobyl ‘lava’, and as a mineral in the Jachymov ore district, Czech Republic.

The crystal chemistry of the uranyl carbonate mineral grimselite, (K, Na)3Na[(UO2)(CO3)3](H2O), from Jáchymov, Czech Republic

2012 ◽  
Vol 76 (3) ◽  
pp. 443-453 ◽  
Author(s):  
J. Plášil ◽  
K. Fejfarová ◽  
R. Skála ◽  
R. Škoda ◽  
N. Meisser ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Czech Republic ◽  
Structure Refinement ◽  
Unit Cell ◽  
Carbonate Mineral ◽  
X Ray Diffraction ◽  
The Czech Republic ◽  
Cell Parameters ◽  
Uranyl Carbonate ◽  
Diffraction Peaks

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)].

The crystal structure of zigrasite, MgZr(PO4)2(H2O)4, a heteropolyhedral framework structure

2010 ◽  
Vol 74 (3) ◽  
pp. 567-575 ◽  
Author(s):  
F. C. Hawthorne ◽  
W. B. Simmons
Keyword(s):  
Crystal Structure ◽  
Framework Structure ◽  
Heteropolyhedral Framework

AbstractThe crystal structure of zigrasite, ideally MgZr(PO4)2(H2O)4, a 5.3049(2), b 9.3372(4), c 9.6282(5) Å, α 97.348(1)°, β 91.534(1)°, γ 90.512(4)°, V 472.79(5) Å3, Z = 2, triclinic, P1, Dcalc. 2.66 g.cm–3, from the giant 1972 pocket at Newry, Oxford County, Maine, USA, has been solved and refined to R1 3.75% on the basis of 2623 unique reflections (Fo > 4σF). There are two P sites, each of which is solely occupied by P with <P–O> distances of 1.532 and 1.533 Å, respectively. There are two Mg sites, both of which are occupied by Mg and are octahedrally coordinated two O anions and four (H2O) groups with <Mg–O> distances of 2.064 and 2.075 Å, respectively. There is one Zr site, occupied by Zr and octahedrally coordinated by six O anions with a <Zr–O> distance of 2.065 Å . The (ZrO6) octahedron shares corners with six (PO4) tetrahedra, forminga [Zr(PO4)2] sheet parallel to (001). These sheets are stacked in the c direction and linked by (MgO2(H2O)4) octahedra that share O atoms with the (PO4) groups. The structure is formally a heteropolyhedral framework structure, but the linkage is weaker in the c direction, accounting for the marked (001) cleavage.

scholarly journals Ba2ZnGe2S6O: Ein neues Oxidsulfid mit Tetraedergerüststruktur/On Ba2ZnGe2S6O. A New Oxide Sulfide with Tetrahedral Framework Structure

1980 ◽  
Vol 35 (6) ◽  
pp. 672-675 ◽  
Author(s):  
Chr. L. Teske
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Coordination Sphere ◽  
Framework Structure ◽  
Tetrahedral Framework ◽  
Space Group ◽  
X Ray ◽  
Lattice Constants ◽  
First Time ◽  
Ray Methods

Abstract Ba2ZnGe2S6O was prepared for the first time and the crystal structure determined by using single crystal X-ray methods. The space group is D32d-P4̄21m, tetragonal (No. 113). Lattice constants: a = 963.59 ± 0.22; c = 645.06 ± 0.25 pm. The tetrahedral framework structure is described and discussed. Zn is linked only to sulfur. The oxygen belongs to the coordination sphere of Ge and Ba.

Crystal structure and chemistry of natural kutinaite from Černý Důl, Krkonoše, Czech Republic

2015 ◽  
Vol 79 (5) ◽  
pp. 1099-1109 ◽  
Author(s):  
Luca Bindi ◽  
Emil Makovicky
Keyword(s):  
Crystal Structure ◽  
Czech Republic ◽  
Metal Contacts ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
Metal Metal ◽  
Crystal Structure And Chemistry

AbstractWe have characterized the crystal structure of natural kutinaite, a rare mineral from the ores of Černý Důl, Czech Republic, by single-crystal X-ray diffraction and chemical analysis. We found that the structure of natural kutinaite is not identical to that of synthetic Cu14Ag6As7, previously reported to be cubic, space group Pm3m. Although topologically similar, the structure of natural kutinaite is indeed tetragonal, space group P4/mmm, with cell parameters: a = 11.789(2), c = 11.766(2) Å, V = 1635.5(4) Å3 and Z = 4. Electron microprobe analyses pointed to the (K,Tl)0.25Cu14Ag6As6.75 stoichiometry (Z = 4), or (K, Tl)Cu56Ag24As27 with Z = 16. The crystal structure of an untwinned crystal has been refined to R1 = 2.61%. It consists of clusters of eight edge-sharing tetrahedra of Cu, which alternate in a 3D chess-board manner with octahedral clusters of six Ag atoms. The latter are surrounded by triangularly coordinated copper in eight faces of a cuboctahedron. The last structure components are large cavities containing partly occupied (K,Tl) sites, coordinated by 18 Ag and As ligands. The structure is full of direct metal-metal contacts although As plays the role of anion, associating especially with copper.

Crystallographic study of a heteroleptic chloroberyllium borohydride carbodicarbene complex

2020 ◽  
Vol 75 (5) ◽  
pp. 497-501 ◽  
Author(s):  
Jacob E. Walley ◽  
Diane A. Dickie ◽  
Robert J. Gilliard
Keyword(s):  
Crystal Structure ◽  
Crystallographic Data ◽  
Triclinic Space Group ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
Unique Data ◽  
Crystallographic Study ◽  
Group 2

AbstractInterest in beryllium, the lightest member of group 2 elements, has grown substantially within the synthetic community. Herein, we report the synthesis and crystal structure of a heteroleptic haloberyllium borohydride bis(1-isopropyl-3-methyl-benzimidazol-2-ylidene)methane ‘carbodicarbene’ (CDC) complex [(CDC)BeCl(BH4)]. Crystallographic data: Triclinic space group P1̅, a = 8.8695(14), b = 12.394(2), c = 16.844(3) Å, α = 102.395(4), β = 96.456(4), γ = 99.164(4)°, wR2 (all data) = 0.2706 for 6720 unique data and 357 refined parameters.

Synthesis and Structure of the Substituted Lithium Benzyl [Li(tmeda)2]+[C(PMe2)(SiMe3)C6H3-3,5-Me2]-. The First Metal Phosphinomethanide Consisting of Solvent-Separated Ion Pairs

2000 ◽  
Vol 55 (12) ◽  
pp. 1114-1120 ◽  
Author(s):  
Volker Knapp ◽  
Martin Winkler ◽  
Gerhard Müller
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Carbon Atom ◽  
Structure Data ◽  
Crystal Structure Data ◽  
Ion Pairs ◽  
Space Group ◽  
Bonding Parameters ◽  
Unique Data ◽  
Benzylic Carbon

The lithium dimethylphosphinomethanide with trimethylsilyl and 3,5-dimethylphenyl substituents in a position [Li(tmeda)2]+[C(PMe2)(SiMe3)C6H3−3 ,5-Me2]− (2) was synthesized from Me2P-CH(SiMe3)C6H3−3 ,5-Me2 (1) and LinnBu/tmeda in hexane in 56% yield (tmeda = N, N, N′, N′-tetramethylethylenediamine). In the solid state it consists of solvent-separated ion pairs which probably is also the case in solution (crystal structure data: tetragonal, space group I41cd, a = b = 19.303(3), c = 34.905(7) Å, Z = 16, R(F) = 0.054 for 2309 unique data and 299 refined parameters). The a-substituted lithium benzyl 2 is the first metal phosphinomethanide containing “free”, uncoordinated anions in the solid state. The lack of metal coordination of the anion is reflected in the bonding parameters at the planar carbanionoid benzylic carbon atom C1 (C1-P 1.773(8), C1-Si 1.846(8), C1-C2(Ph) 1.442(9) Å; C2-C1-P 125.3(5), C2-C1-Si 127.1(5), P-C1-Si 107.5(3)°; sum of the angles at C1: 359.9°).

Arizona porphyry copper/hydrothermal deposits I. The structure of chenevixite and luetheite

2000 ◽  
Vol 64 (1) ◽  
pp. 25-30 ◽  
Author(s):  
P. C. Burns ◽  
J. V. Smith ◽  
I. M. Steele
Keyword(s):  
Crystal Structure ◽  
Least Squares ◽  
Goodness Of Fit ◽  
Porphyry Copper ◽  
Direct Methods ◽  
X Rays ◽  
Space Group ◽  
Area Detector ◽  
Jahn Teller ◽  
Least Squares Techniques

AbstractThe crystal structure of chenevixite, Cu2M2(AsO4)2(OH)4 (where M = Fe3+ or Al), pseudo-orthorhombic, monoclinic, a = 5.7012(8), b = 5.1801(7), c = 29.265(2) Å, β = 89.99(1)°, V = 864.3(4) Å3, space group B1211, Z = 4, was solved by direct methods and refined by least-squares techniques to R = 8.4% and a goodness-of-fit (S) of 1.37 for 1176 unique observed (F≥4σF) reflections collected for a twinned microcrystal using graphite-monochromated Mo-Kα X-rays and a CCD area detector. Vertex- and edge-sharing arsenate tetrahedra, Alϕ6 octahedra, and Jahn-Teller-distorted Cu2+ϕ6 octahedra [ϕ: O2−;, (OH)−;] form a framework unique from those in Cu2+ oxysalt minerals. Chains of edge-sharing Cu2+ϕ6 octahedra, with Alϕ6 octahedra attached on opposing sides by the sharing of edges, are linked into layers parallel to (001) by sharing vertices with AsO4 tetrahedra, and the layers are linked to form a frameworkby the sharing of polyhedral elements between adjacent Alϕ6 octahedra, as well as between AsO4 tetrahedra and Alϕ6 octahedra.

Synthesis and Structure of a Binuclear [Bis(ethane-1,2-diamine)nickel(II)]-μ-(ethane-1,2-dithiolato)-[(ethane-1,2-dithiolato)Nickel(II)] Complex [Ni(en)2(μ-C2O2S2)Ni(C2O2S2)], and the Related 3,4-Dimercaptocyclobutene-1,2-dionato Complex

1990 ◽  
Vol 43 (3) ◽  
pp. 601 ◽  
Author(s):  
PDW Boyd ◽  
J Hope ◽  
CL Raston ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Binuclear Complex ◽  
Spectroscopic Data ◽  
Binuclear Complexes ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
X Ray ◽  
Unique Data

The reaction of planar bis nickel(II) chelates of the ethanebis ( thioate ) ( dithiooxalate ) dianion (C2O2S22-, dto ) or the 3,4-dimercaptocyclobutene-1,2-dionate(2-)( dithiosquarate ) dianion (C4O2S22-, dts ) with bis (ethane-1,2-diamine)nickel(II) dinitrate [NiII (en)2(NO3)2 ]leads to the formation of neutral binuclear complexes of the form [Ni(en)2Ni(L)2] (L= dto or dts ), (1) and (2). An X-ray crystal structure of the dithiooxalate complex has been performed which confirms the formulation of a μ- dithiooxalato bridged binuclear complex based on analytical, magnetic and spectroscopic data. The crystals of [Ni(en)2Ni( dto )2] are orthorhombic, space group Pcnn a 8.371(8), b 17.65(1), c 23.37(2)Ǻ and Z 8; a total of 853 unique data with I > 2σ(I) were refined to R 0.073. The molecule is found to be binuclear with a dithiooxalate dianion bridging a six-coordinate Ni(en)2O2 moiety and a planar four-coordinate Ni( dto )S2 group.

Crystal structure of an inclusion complex between chiral monoaza-15-crown-5 and S(–)-1-phenyl-ethyl ammonium percholorate

2003 ◽  
Vol 218 (5) ◽  
Author(s):  
Süheyla Özbey ◽  
F. B. Kaynak ◽  
M. Toğrul ◽  
N. Demirel ◽  
H. Hoşgören
Keyword(s):  
Crystal Structure ◽  
Inclusion Complex ◽  
Single Crystal ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
New Type

AbstractA new type of inclusion complex, S(–)-1 phenyl ethyl ammonium percholorate complex of R-(–)-2-ethyl - N - benzyl - 4, 7, 10, 13 - tetraoxa -1- azacyclopentadecane, has been prepared and studied by NMR, IR and single crystal X-ray diffraction techniques. The compound crystallizes in space group

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