Crystal structure of Sb2Tl7

1977 ◽  
Vol 55 (7) ◽  
pp. 1120-1122 ◽  
Author(s):  
Rolf Stokhuyzen ◽  
Chung Chieh ◽  
William B. Pearson
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Structure Type ◽  
Unit Cell ◽  
Space Group ◽  
Single Crystal Study ◽  
The Mean

The single-crystal study of Sb2Tl7 confirms the work of Morral and Westgren. The crystal is cubic with a = 11.618(6) Å and space group of Im3m. There are 54 atoms per unit cell. It is the only known example of this structure type which can be considered as a true superlattice of CsCl. The structure was determined using 106 observed reflections measured on a G.E. XRD-6 diffractometer. The final R and Rw were 0.097 and 0.060, respectively. The Tl–Tl distances range from 3.21 to 3.55 Å and the mean Sb-Tl distance is 3.27 Å. There is no Sb–Sb contact in the structure

The crystal structure of trisodium hexachlororhodate (Na3RhCl6)

2018 ◽  
Vol 33 (1) ◽  
pp. 62-65
Author(s):  
Martin Etter
Keyword(s):  
Crystal Structure ◽  
Powder Diffraction ◽  
Structure Type ◽  
Unit Cell ◽  
Unit Cell Parameters ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters

Commercially available trisodium hexachlororhodate (Na3RhCl6) was dehydrated and characterized by laboratory X-ray powder diffraction. The crystal structure is isostructural to the Na3CrCl6 structure type with space group P$\bar 31$c. Unit-cell parameters are a = 6.8116(1) Å, c = 11.9196(2) Å, V = 478.95(2) Å3, and Z = 2.

Crystal structure and powder data of davidite-type La2Ti10.27Ga9.63O38

1999 ◽  
Vol 14 (1) ◽  
pp. 36-41 ◽  
Author(s):  
A. Meden ◽  
D. Kolar ◽  
S. Škapin
Keyword(s):  
Crystal Structure ◽  
Rietveld Refinement ◽  
Structure Type ◽  
Unit Cell ◽  
Unit Cell Parameters ◽  
Space Group ◽  
Cell Parameters

The structure type of La2Ti10.27Ga9.63O38 was revealed by a search-match using the PDF. A successful Rietveld refinement (Rp=8.9, Rwp=13.3, RB=4.20) confirmed the structure to be rhombohedral (space group R3¯, No. 148) with the refined unit cell parameters a=9.1878(1) Å, α=68.458(1)°, and V=646.374(1) Å3. The structure is compared to other compounds of the davidite type, and the observed and calculated powder data are given.

Molecular and crystal structure of a copper(II) complex of sildenafil

2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Akhmatkhodja N. Yunuskhodjayev ◽  
Shokhista F. Iskandarova ◽  
Vahobjon Kh. Sabirov
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Piperazine Ring ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters

Abstract The crystal structure of a copper(II) complex of protonated sildenafil, CuCl3C22H31N6O4S⋅2H2O was studied by single crystal X-ray diffraction. The compound crystallizes in the monoclinic space group P21/n with the unit cell parameters a = 15.4292(2), b = 9.06735(12), c = 21.1752(2) Å, V = 2945.48(7) Å3, Z = 4. The Cu atom is coordinated by the sildenafil ligand via the N2 atom of the pyrazolopyrimidine ring and by three chloride anions. Sildenafil is protonated at the methylated N6 atom of the piperazine ring and it is cation ligand with a 1+ charge.

THE CRYSTAL STRUCTURE OF Bi2Te2Se

1961 ◽  
Vol 39 (7) ◽  
pp. 1040-1043 ◽  
Author(s):  
J. A. Bland ◽  
S. J. Basinski
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Unit Cell ◽  
Hexagonal Cell ◽  
Space Group ◽  
X Ray ◽  
Contact Distance

The crystal structure of Bi2Te2Se has been determined by X-ray single crystal methods. The unit cell is trigonal, space group [Formula: see text] with hexagonal cell edges a = 4.28 ± 0.02 Å, c = 29.86 ± 0.10 Å, and there are three formula units per unit cell. The structure is of the C33 type and a comparison is made with other C33 structures, Bi2Se3, Bi2Te3, and Bi2Te2S. An important common feature of these compounds is that the atom on the center of symmetry has a relatively large contact distance with each of its six Bi neighbors.

Reactions between Co(II), 1,2-bis(diphenylphosphino)ethane, and NaBH3CN in the presence and absence of CO. The crystal structure of bis(cyanotrihydroborato)tetrakis(N,N-dimethylformamide)cobalt(II)

1988 ◽  
Vol 66 (7) ◽  
pp. 1770-1775 ◽  
Author(s):  
David J. Elliot ◽  
Sanna Haukilahti ◽  
David G. Holah ◽  
Alan N. Hughes ◽  
Stanislaw Maciaszek ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Unit Cell ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Triclinic Space Group ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
R Factor

Reactions between Co(II), Diphos, and NaBH3CN lead to Co(BH3CN)2(Diphos)2, 1, or [Co(BH3CN)(Diphos)2]X, 2 (X = ClO4 or BPh4), and, in certain solvents, 2 reacts to produce [Co(CN)(Diphos)2](ClO4). Compound 1 can be reversibly converted to Co(BH3CN)2(DMF)4, 4, via Co(BH3CN)2(Diphos)(DMF). In addition, 1 reacts with CO to form the Co(I) and Co(III) compounds [Co(Diphos)2](CO)]X and [Co(Diphos)2(CN)2]X (X = BH3CN or BPh4). Single crystal X-ray diffraction studies of 4 show that the compound crystallizes in the triclinic space group [Formula: see text], with unit cell parameters a = 7.572(6), b = 9.695(6), c = 9.395(6) Å, α = 81.06(4), β = 68.46(5), γ = 68.19(5)°, V = 595.5 Å3, Z = 1, and dcalcd = 1.202 g cm−3. The structure converged to a conventional R factor of 0.040 for 2841 observations and showed an octahedral arrangement of four O atoms from DMF molecules and two trans N-bound BH3CN groups around the Co(II) center.

Crystal structure of triclinic rubidium dichromate, Rb2Cr2O7

1970 ◽  
Vol 48 (4) ◽  
pp. 537-543 ◽  
Author(s):  
N. Ch. Panagiotopoulos ◽  
I. D. Brown
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
Unit Cell ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Dichromate Ions ◽  
Oxygen Atoms

The crystal structure of triclinic rubidium dichromate has been determined by single crystal X-ray diffraction. The crystal belongs to space group [Formula: see text] with a = 13.554, b = 7.640, c = 7.735 Å, α = 93.64°, β = 98.52°, γ = 88.80° and has four Rb2Cr2O7 units in the unit cell. The final weighted agreement index after refinement by least-squares analysis is 0.058. The configuration of the dichromate ions is similar to that found in most other dichromate structures (Cr—O (bridging) = 1.78 Å, Cr—O (terminal) = 1.62 Å). The two non-equivalent Cr—O—Cr angles are 123 and 137°. The rubidium ions are surrounded by either 8 or 9 oxygen atoms at distances ranging from 2.86 to 3.31 Å. The structure of triclinic Rb2Cr2O7 is similar, but not identical, to that of triclinic K2Cr2O7.

Powder and single-crystal X-ray diffraction study of the structure of [Y(H2O)]2(C2O4)(CO3)2

2000 ◽  
Vol 56 (6) ◽  
pp. 998-1002 ◽  
Author(s):  
Thierry Bataille ◽  
Daniel Louër
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Diffraction Pattern ◽  
Powder Diffraction ◽  
Direct Methods ◽  
Unit Cell ◽  
Powder Pattern ◽  
Orthorhombic Symmetry ◽  
Direction Parallel ◽  
Space Group

From powder pattern indexing it has been demonstrated that [Y(H2O)]2(C2O4)(CO3)2, yttrium oxalate carbonate, crystallizes with orthorhombic symmetry, space group C2221, a = 7.8177 (7), b = 14.943 (1), c = 9.4845 (7) Å, V = 1108.0 (1) Å3, Z = 4. This unit cell displays a doubling of the c parameter, arising from weak diffraction lines observed in the powder diffraction pattern, with respect to results reported in the literature. The crystal structure has been solved ab initio using direct methods from powder data and has been confirmed by additional single-crystal data collected with a CCD area detector. The overall crystal structure is similar for both unit cells, except that an alternation of the carbonate groups in the direction parallel to the screw axis is displayed in the larger cell, while with the suggested half unit cell (space group C2mm) the carbonate groups would show only one orientation. The unit-cell determination strategy from single-crystal diffraction, collected with Nonius CAD-4 and Nonius Kappa CCD diffractometers, is discussed with respect to the results extracted from the powder diffraction pattern. The study demonstrates the power and usefulness of the full trace of a powder pattern for the detection of subtle structure details.

scholarly journals Ca4As3– a new binary calcium arsenide

2015 ◽  
Vol 71 (12) ◽  
pp. 1548-1550
Author(s):  
Andrea V. Hoffmann ◽  
Viktor Hlukhyy ◽  
Thomas F. Fässler
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Structure Type ◽  
Binary Compound ◽  
Unit Cell ◽  
Single Bond ◽  
X Ray Diffraction ◽  
Zintl Phase ◽  
X Ray

The crystal structure of the binary compound tetracalcium triarsenide, Ca4As3, was investigated by single-crystal X-ray diffraction. Ca4As3crystallizes in the Ba4P3structure type and is thus a homologue of isotypic Sr4As3. The unit cell contains 32 Ca2+cations, 16 As3−isolated anions and four centrosymmetric [As2]4–dumbbells. The As atoms in each of the dumbbells are connected by a single bond, thus this calcium arsenide is a Zintl phase.

scholarly journals Die Kristallstruktur von Calciumhexacyanoferrat(II)- Hexamethylentetramin-Wasser(1/1/6) Ca2 [Fe(CN)6] · C6H12N4 · 6H2O / The Crystal Structure of Calciumhexacyanoferrate(II)- Hexamethylenetetramine-Water(1/1/6) Ca2[Fe(CN)6] · C 6H12N4 · 6H2O

1988 ◽  
Vol 43 (2) ◽  
pp. 135-137 ◽  
Author(s):  
H.-Jürgen Meyer ◽  
Joachim Pickardt
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Structure Determination ◽  
Unit Cell ◽  
Single Crystal Structure ◽  
Crystal Structure Determination ◽  
Water Molecules ◽  
Monoclinic Space Group ◽  
Space Group ◽  
X Ray

Ca2[Fe(CN)6] · C6H12N4 · 6H2O crystallizes in the monoclinic space group B2/b with a = 1130,2(4), b = 1373,5(4), c = 1353,0(4) pm and γ = 97,17°. The X-ray single crystal structure determination converged at R = 0.055 (2057 reflections). Each of the four Fe(CN)6 octahedra (Z = 4) in the unit cell is coordinated by six Ca atoms with mean NCYAN - Ca distances of 253.5(3) pm. The Ca atoms are bridged by hexamethylenetetramine and water molecules

Darstellung und Struktur der Phase Li5Na2Sn4 / Preparation and Crystal Structure of Li5Na2Sn4

1978 ◽  
Vol 33 (8) ◽  
pp. 823-826 ◽  
Author(s):  
Klaus Volk ◽  
Wiking Müller
Keyword(s):  
Crystal Structure ◽  
Structure Type ◽  
Unit Cell ◽  
The Other ◽  
Space Group ◽  
Alkali Atoms ◽  
Structural Relations

The new compound Li5Na2Sn4 crystallizes trigonally, a = 472.3 ± 1 pm, c = 7178 ± 8 pm, space group R3̅m-D53d. A quarter of the Sn atoms in the unit cell build up a puck­ered net of six-membered rings, another quarter is bound to the net-atoms forming a tetrahedral Sn coordination. The other half of the Sn atoms is ordered in layers of parallel Sn2 pairs. The nets and layers are separated by the alkali atoms. The structural relations to the variants of the W-structure type of compounds in the system Li-Sn and Na-Sn are shown.

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