Preparation and Crystal Structures of the Isotypic Compounds CdXO4 · 2 HgO (X = S, Se)

2004 ◽  
Vol 59 (3) ◽  
pp. 281-285 ◽  
Author(s):  
Matthias Weil
Keyword(s):  
Single Crystals ◽  
Crystal Structures ◽  
Diffraction Data ◽  
Building Blocks ◽  
Data Sets ◽  
X Ray Diffraction ◽  
Hydrothermal Conditions ◽  
Space Group ◽  
X Ray ◽  
Structure Factors

Colourless single crystals of the compounds CdXO4 · 2 HgO (X = S, Se) were obtained under hydrothermal conditions (250 °C, 5 d), starting from stoichiometric amounts of HgO, CdSO4 ·7H2O and CdSeO4 ·2H2O, respectively. The crystal structures were determined from X-ray diffraction data sets. The CdXO4 · 2HgO compounds crystallise isotypically with two formula units in space group P1̅ (# 2) [CdSO4 · 2HgO (CdSeO4 · 2HgO): a = 6.793(2) (6.9097(5)) Å , b = 7.205(2) (7.1786(6)) Å , c=7.359(2) (7.4556(6)) Å ,α =73.224(6) (74.586(2))°, β =66.505(6) (68.229(1))°, γ =63.054(5) (63.886(1))°, 1670 (1786) structure factors, 92 parameters, R[F2 > 2σ(F2)] = 0.0379 (0.0244)] and are made up from zig-zag [O-Hg-O]∞ chains with very short bonds of d̅(Hg-O) 2.025 Å , distorted [CdO6] octahedra (d̅(Cd-O)= 2.297 Å ), and XO4 tetrahedra (d̅(S-O)= 1.458 Å , d̅(Se-O)= 1.633 Å ) as the main building blocks. The CdXO4 ·2HgO compounds reveal no structural relationship with the corresponding HgXO4 ·2HgO phases

Notizen: Notiz zur Kristallstruktur von APb2Cl5-Verbindungen / Notice about Crystal Structures of APb2Cl5-Compounds

1976 ◽  
Vol 31 (6) ◽  
pp. 885 ◽  
Author(s):  
H.-L. Keller.
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Crystal Structures ◽  
Diffraction Data ◽  
Structure Determination ◽  
Crystal Structure Determination ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray

Single crystals of TlPb2Cl5 and NH4Pb2Cl5 were prepared. X-ray diffraction data confirm the space group C2h5—P21/c (No. 14). Crystal structure determination shows a new typ, belonging to the PbCl2-structure.

On racemic and L-malates: a comparison of their crystal structures

2004 ◽  
Vol 219 (2) ◽  
Author(s):  
Michel Fleck ◽  
Ekkehart Tillmanns ◽  
Ladislav Bohatý ◽  
Peter Held
Keyword(s):  
Single Crystal ◽  
Crystal Structures ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Monoclinic Space Group ◽  
Powder Diffraction Data ◽  
X Ray Diffraction ◽  
Powder Diffraction File ◽  
Space Group ◽  
X Ray

AbstractThe crystal structures of eight different L-malates have been determined and refined from single-crystal X-ray diffraction data. The compounds are the monoclinic (space groupIn addition, for all the compounds, powder diffraction data were collected, analysed and submitted to the powder diffraction file (PDF).

Hydrothermal Crystal Growth and Crystal Structures of the Mercury(II) Chromates(VI) α-HgCrO4, β-HgCrO4, and HgCrO4·H2O

2006 ◽  
Vol 61 (6) ◽  
pp. 708-714 ◽  
Author(s):  
Berthold Stöger ◽  
Matthias Weil
Keyword(s):  
Crystal Growth ◽  
Single Crystal ◽  
Single Crystals ◽  
Crystal Structures ◽  
Chromic Acid ◽  
Structure Type ◽  
Data Sets ◽  
Hydrothermal Conditions ◽  
Hydrothermal Crystal Growth ◽  
Structure Factors

Single crystals of α-HgCrO4, β -HgCrO4 and HgCrO4 ・ H2O were obtained by reacting yellow HgO in chromic acid of various concentrations under hydrothermal conditions at 200 °C (4 d). All crystal structures were solved and refined from single crystal diffractometer data sets [α-HgCrO4: P21/n, Z = 4, a = 5.5079(8), b = 8.5266(12), c = 7.3503(10) Å , β = 94.022(3)°, 955 structure factors, R[F2 > 2σ (F2)] = 0.0296; β -HgCrO4: Cmcm, Z = 4, a = 5.7187(9), b = 9.0169(14), c = 7.0114(11) Å, 361 structure factors, R[F2 > 2σ (F2)] = 0.0275; HgCrO4 ・ H2O: P1̅, Z = 2, a=5.6157(15), b =6.1115(16), c= 7.590(2) Å , α =108.850(5), β =91.666(5), γ =116.569(5)°, 1235 structure factors, R[F2 > 2σ (F2)] = 0.0316]. The previously reported structure of α-HgCrO4 has been re-determined. It contains distorted [HgO7] pentagonal bipyramids in which the short bonds are directed towards the apices. The new polymorph β -HgCrO4 adopts the CrVO4 (β -CrPO4) structure type and is composed of slightly distorted [HgO6] octahedra. The previously unknown monohydrate HgCrO4 ・ H2O crystallizes in an unique structure and is composed of one nearly regular [HgO4(H2O)2] octahedron and one considerably distorted [HgO6] octahedron. All three structures contain tetrahedral chromate anions CrO42− as the second building units with average Cr-O distances of ca. 1.65 Å

Orthoborate Halides with the Formula (M+II)5(BO3)3X: Syntheses, Crystal Structures and Raman Spectra of Eu5(BO3)3Cl and Ba5(BO3)3X (X = Cl, Br)

2011 ◽  
Vol 66 (4) ◽  
pp. 359-365 ◽  
Author(s):  
Olaf Reckeweg ◽  
Armin Schulz ◽  
Francis J. DiSalvo
Keyword(s):  
Single Crystal ◽  
Single Crystals ◽  
Crystal Structures ◽  
Raman Spectra ◽  
Direct Synthesis ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
X Ray ◽  
Incremental Volume

Single crystals of Eu5(BO3)3Cl were obtained by serendipity by reacting Eu2O3 and Mg with B2O3 at 1300 K in the presence of an NaCl melt for 13 h in silica-jacketed Nb ampoules. Ba5(BO3)3X (X = Cl, Br) crystals were formed by direct synthesis from appropriate amounts of Ba(OH)2, H3BO3 and the respective barium halide (hydrate) in alumina crucibles kept in the open atmosphere at 1300 K for 13 h. The crystal structures of the title compounds were determined with single-crystal X-ray diffraction. All compounds crystallize isotypically to Sr5(BO3)3Cl in the orthorhombic space group C2221 (no. 20, Z = 4) with the lattice parameters a = 1000.34(7), b = 1419.00(9), c = 739.48(5) pm for Eu5(BO3)3Cl, a = 1045.49(5), b = 1487.89(8), c = 787.01(4) pm for Ba5(BO3)3Cl, and a = 1048.76(7), b = 1481.13(9) and c = 801.22(5) pm for Ba5(BO3)3Br. The Raman spectra of all compounds were acquired and are presented and compared to literature data. The incremental volume of the orthoborate (BO3)3− anion has been determined and is compared to the Biltz volume

High-pressure syntheses and crystal structures of orthorhombic DyGaO3 and trigonal GaBO3

2015 ◽  
Vol 70 (4) ◽  
pp. 207-214 ◽  
Author(s):  
Daniela Vitzthum ◽  
Stefanie A. Hering ◽  
Lukas Perfler ◽  
Hubert Huppertz
Keyword(s):  
High Pressure ◽  
High Temperature ◽  
Single Crystal ◽  
Crystal Structures ◽  
Diffraction Data ◽  
Room Temperature ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
High Pressure High Temperature

AbstractOrthorhombic dysprosium orthogallate DyGaO3 and trigonal gallium orthoborate GaBO3 were synthesized in a Walker-type multianvil apparatus under high-pressure/high-temperature conditions of 8.5 GPa/1350 °C and 8 GPa/700 °C, respectively. Both crystal structures could be determined by single-crystal X-ray diffraction data collected at room temperature. The orthorhombic dysprosium orthogallate crystallizes in the space group Pnma (Z = 4) with the parameters a = 552.6(2), b = 754.5(2), c = 527.7(2) pm, V = 0.22002(8) nm3, R1 = 0.0309, and wR2 = 0.0662 (all data) and the trigonal compound GaBO3 in the space group R3̅c (Z = 6) with the parameters a = 457.10(6), c = 1419.2(3) pm, V = 0.25681(7) nm3, R1 = 0.0147, and wR2 = 0.0356 (all data).

Notizen: Zur Kristallstruktur von SrPbO3 / The Crystal Structure of SrPbO3

1975 ◽  
Vol 30 (3-4) ◽  
pp. 277-278 ◽  
Author(s):  
Hans-L. Keller ◽  
Karl-H. Meier ◽  
Hk. Müller-Buschbaum
Keyword(s):  
Crystal Structure ◽  
High Pressure ◽  
Single Crystal ◽  
Single Crystals ◽  
Diffraction Data ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Pressure Synthesis ◽  
Group D

Single crystals of SrPbO3 could be prepared by oxygen-high-pressure-synthesis (PO2 > 3500 at, t = 450°C). Single crystal X-ray diffraction data confirm the space group D2h16-Pnma. SrPbO3 belongs to the orthorhombic distorted Perowskit type with a = 5.964, b = 8.320, c = 5.860 Å. The atomic positions were refined.

Two crystal structures of 10,10′-(l,4-phenylene-dimethylidene)-bis-9,10-H-anthracenone

1992 ◽  
Vol 200 (3-4) ◽  
Author(s):  
G. Dewald ◽  
M. Hanack ◽  
E.-M. Peters ◽  
L. Walz
Keyword(s):  
Crystal Structures ◽  
Diffraction Data ◽  
Molecular Structures ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Hydrogen Atoms ◽  
Space Group ◽  
X Ray ◽  
Crystal And Molecular Structures

AbstractThe crystal and molecular structures of dimorphic 10,10′-(1,4-phenylene-dimethylidene)-bis-9,10-H-anthracenone (1) have been determined using X-ray diffraction data. The compound crystallizes either in the monoclinic space groupSince all non-hydrogen atoms are of pure

Temperature phase changes in solid bicyclo[3.3.1]nonane-2,6-dione and bicyclo[3.3.1]nonane-3,7-dione from powder X-ray diffraction data

2007 ◽  
Vol 40 (4) ◽  
pp. 702-709 ◽  
Author(s):  
Michela Brunelli ◽  
Marcus A. Neumann ◽  
Andrew N. Fitch ◽  
Asiloé J. Mora
Keyword(s):  
Simulated Annealing ◽  
Crystal Structures ◽  
Phase Ii ◽  
Diffraction Data ◽  
Direct Methods ◽  
Temperature Phase ◽  
Molecular Orbital Calculations ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray

The crystal structures of bicyclo[3.3.1]nonane-2,6-dione and bicyclo[3.3.1]nonane-3,7-dione have been solved by direct methods and by direct-space simulated annealing, respectively, from powder synchrotron X-ray diffraction data. Both compounds have a transition to a face-centred-cubic orientationally disordered phase (phase I) near 363 K, as shown by differential scanning calorimetry and powder diffraction measurements. Phase II of bicyclo[3.3.1]nonane-2,6-dione, which occurs below 363 K, is monoclinic, space groupC2/c, witha= 7.38042 (4),b= 10.38220 (5),c= 9.75092 (5) Å and β = 95.359 (1)° at 80 K. Phase II of bicyclo[3.3.1]nonane-3,7-dione, which occurs below 365 K, is tetragonal, space groupP41212, witha= 6.8558 (1) andc= 16.9375 (1) Å at 100 K. This phase coexists in a biphasic mixture with a minor monoclinic phase II′ [a= 11.450 (6),b = 20.583 (1),c= 6.3779 (3) Å, β = 94.7555 (5)°, at 100 K] detected in the sample, which impeded indexing with standard programs. The crystal structures of phases II were solved by direct methods and by direct-space simulated annealing, employing powder synchrotron X-ray diffraction data of increased instrumental intensity and resolution from the ID31 beamline at the ESRF, and novel indexing algorithms.Ab initiomolecular orbital calculations on the two systems are reported. In the solid state, the molecules pack in chair–chair conformation; molecular structures and packing are discussed.

Synthesis and structure of M 0.5Bi3P2O10 (M = Ca, Sr, Ba, Pb) series

2003 ◽  
Vol 59 (5) ◽  
pp. 606-610 ◽  
Author(s):  
Digamber G. Porob ◽  
T. N. Guru Row
Keyword(s):  
Single Crystal ◽  
Crystal Structures ◽  
Diffraction Data ◽  
Ternary Systems ◽  
Two Dimensional ◽  
X Ray Diffraction ◽  
Triclinic Space Group ◽  
Ceramic Method ◽  
Space Group ◽  
X Ray

A series of M 0.5Bi3P2O10 compounds with M = Ca, Sr, Ba and Pb have been synthesized in MO–Bi2O3–P2O5 ternary systems by the ceramic method and the crystal structures were then solved using single-crystal X-ray diffraction data. These compounds are isostructural with Bi6.67P4O20 (triclinic, space group P\bar 1, Z = 2). The structures consist of infinite chains of Bi2O2 units along the c axis formed by linking BiO8 and BiO6 polyhedra. These chains are interconnected by MO8 polyhedra forming two-dimensional layers in the ac plane. The phosphate tetrahedra are sandwiched between these layers.

Crystal structure of Sc3Co1.64In4 and Sc10Co9In20 from single-crystal data

2019 ◽  
Vol 74 (3) ◽  
pp. 289-295 ◽  
Author(s):  
Nataliya Gulay ◽  
Yuriy Tyvanchuk ◽  
Marek Daszkiewicz ◽  
Bohdan Stel’makhovych ◽  
Yaroslav Kalychak
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Crystal Structures ◽  
Diffraction Data ◽  
Crystal Data ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Arc Melting ◽  
Pure Metals

AbstractTwo compounds in the Sc-Co-In system were obtained by arc-melting of the pure metals and their crystal structures have been determined using single crystal X-ray diffraction data. The structure of Sc3Co1.64In4 (space group P6̅, а=7.6702(5), c=3.3595(2) Å, Z=1, R1=0.0160, wR2=0.0301) belongs to the Lu3Co2−xIn4 type structure, which is closely related to the ZrNiAl and Lu3CoGa5 types. The structure of Sc10Co9In20 (space group P4/nmm, а=12.8331(1), c=9.0226(1) Å, Z=2, R1=0.0203, wR2=0.0465) belongs to the Ho10Ni9In20 type, which is closely related to HfNiGa2.

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