Preparation and Crystal Structure of a New Lithium Vanadium Fluoride Li2VF6 with Trirutile-type Structure

2013 ◽  
Vol 68 (2) ◽  
pp. 121-126 ◽  
Author(s):  
Suliman Nakhal ◽  
Dominik Weber ◽  
Martin Lerch
Keyword(s):  
Crystal Structure ◽  
Lithium Fluoride ◽  
Lattice Parameters ◽  
Type Structure ◽  
Teller Effect ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Jahn Teller ◽  
Jahn Teller Effect

A new lithium vanadium fluoride Li2VF6 was prepared by reacting lithium fluoride LiF with vanadium tetrafluoride VF4 in a monel capsule at 500 °C. The crystal structure has been determined by means of powder X-ray diffraction. Trirutile-type dilithium hexafluorovanadate(IV) crystallizes in the tetragonal space group P42/mnmwith lattice parameters a=459.99(1), b=459:99(1), c=896.64(2) pm. The presence of a Jahn-Teller effect is discussed.

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.

scholarly journals β-Y(BO2)3 – a new member of the β-Ln(BO2)3 (Ln=Nd, Sm, Gd–Lu) structure family

2017 ◽  
Vol 72 (12) ◽  
pp. 983-988 ◽  
Author(s):  
Martin K. Schmitt ◽  
Hubert Huppertz
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Lattice Parameters ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
X Ray

Abstractβ-Y(BO2)3 was synthesized in a Walker-type multianvil module at 5.9 GPa/1000°C. The crystal structure has been elucidated through single-crystal X-ray diffraction. β-Y(BO2)3 crystallizes in the orthorhombic space group Pnma (no. 62) with the lattice parameters a=15.886(2), b=7.3860(6), and c=12.2119(9) Å. Its crystal structure will be discussed in the context of the isotypic lanthanide borates β-Ln(BO2)3 (Ln=Nd, Sm, Gd–Lu).

scholarly journals CRYSTAL STRUCTURE OF THE NEW SILICIDE Lu3Ni11.74(2)Si4

2020 ◽  
Vol 86 (5) ◽  
pp. 3-12
Author(s):  
Bohdana Belan ◽  
Mykola Manyako ◽  
Mariya Dzevenko ◽  
Dorota Kowalska ◽  
Roman Gladyshevskii
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Type Structure ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Arc Melting ◽  
Pearson Symbol ◽  
Ternary Silicide

The new ternary silicide Lu3Ni11.74(2)Si4 was synthesized from the elements by arc-melting and its crystal structure was determined by the single-crystal X-ray diffraction. The compound crystallizes in the Sc3Ni11Ge4-type: Pearson symbol hP37.2, space group P63/mmc (No. 194), a = 8.0985(16), c = 8.550(2) Å, Z = 2; R = 0.0244, wR = 0.0430 for 244 reflections. The silicide Lu3Ni11.74(2)Si4 is new member of the EuMg5.2-type structure family.

Crystal structure and powder X-ray diffraction data for new Tb3CuAl3Ge2 compound

2015 ◽  
Vol 30 (1) ◽  
pp. 63-66 ◽  
Author(s):  
Chao Zeng ◽  
Guoqiang Lin ◽  
Weijing Zeng ◽  
Wei He
Keyword(s):  
Crystal Structure ◽  
Rietveld Refinement ◽  
Diffraction Data ◽  
Rietveld Method ◽  
Unit Cell ◽  
Type Structure ◽  
X Ray Diffraction ◽  
Quaternary Compound ◽  
Space Group ◽  
X Ray

The crystal structure of new Tb3CuAl3Ge2 quaternary compound was studied by the Rietveld method from powder X-ray diffraction (XRD) data. The Tb3CuAl3Ge2 compound crystallized in the hexagonal Y3NiAl3Ge2-type structure with space group P-62m (no. 189) and lattice parameters a = 7.0041(2) Å, c = 4.1775(1) Å, V = 177.48 Å3. There is only one formula in each unit cell, Z = 1, and the density of Tb3CuAl3Ge2 is ρx = 7.1696 g cm−3. The reliability factors characterizing the Rietveld refinement results are Rp = 6.43%, Rwp = 8.65%, RB = 4.81%, and RF = 4.09%, respectively. The powder XRD data of Tb3CuAl3Ge2 were presented and the reliability of indexation is F30 = 120.9(0.0073, 34).

Strukturen und Schwingungsspektren des Tetramethylammonium -a -dodekawolframatosilikats und des Tetrabutylammonium-β-dodekawolframatosilikats / Structures and Vibrational Spectra of Tetramethylammonium a-Dodecatungstosilicate and Tetrabutylammonium β-Dodecatungstosilicate

1981 ◽  
Vol 36 (2) ◽  
pp. 161-171 ◽  
Author(s):  
Joachim Fuchs ◽  
Axel Thiele ◽  
Rosemarie Palm
Keyword(s):  
Crystal Structure ◽  
Vibrational Spectra ◽  
Lattice Parameters ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
Crystal Water ◽  
Space Group ◽  
X Ray ◽  
First Time

Abstract Dodecatungstosilicates free of crystal water were prepared for the first time by using tetraalkylammonium as cation. The crystal structure of the tetramethylammonium a-dodeeatungstosilicate [N(CH3)4]4SiW12O40 (1) and tetrabutylammonium) β-dodecatungstosilicate, [N(C4H9)4]4SiWi2040 (2) were solved by X-ray diffraction. (1) crystallizes tetragonal in the space group 14̅ with lattice parameters a = 14.642 Å; c= 12.706 Å; (2) orthorhombic, space group P212121 with a = 29.277 Å, b = 22.181 Å and c = 15.381 Å. The differences between the two isomeric heteropolyanions are discussed, especially the distances and angles between the tungsten atoms. Comparison of characteristic differences in the vibrational spectra permits the identification of the isomeric anions.

Topotaktische Entwässerung von Cs2MnF5 · H2O zu Cs2MnF5 und die Kristallstrukturen beider Verbindungen / Topotactical Dehydration of Cs2MnF5 · H2O to Cs2MnF5 and the Crystal Structures of Both Compounds

1990 ◽  
Vol 45 (10) ◽  
pp. 1341-1348 ◽  
Author(s):  
Friedemann Hahn ◽  
Werner Massa
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Crystal Structures ◽  
Ferroelectric Properties ◽  
Type Structure ◽  
Water Molecules ◽  
Mean Values ◽  
Space Group ◽  
Jahn Teller ◽  
Jahn Teller Effect

Redetermination of the crystal structure of Cs2MnF5 · H2O (space group Cmm 2, Z = 2, a = 974.0(2), b = 867.4(1), c = 426.0(1) pm, R = 0.026 for 478 reflections) revealed ordered instead of disordered positions of water molecules indicating ferroelectric properties. The dehydration of a twinned crystal gave an untwinned single crystal of Cs2MnF5 by a topotactical reaction. The crystal structure of Cs2MnF5 (space group P4/mmm, Z = 1, a = 642.0(1), c = 422.9(1) pm, R = 0.034 for 175 reflections) shows trans-connected octahedral chains [MnF5]∞2- with 180° Mn-F-Mn bridge angles like in the monohydrate. The bridging bonds in Cs2MnF5 · H2O and in Cs2MnF5 resp. are elongated by the Jahn-Teller effect (mean values Mn-Fbridge 213/211, Mn-Fterm 184/186 pm). Cs2MnF5 represents the “aristotype” of the so- called Tl2AlF5 type structure family

Neue Mangan(III)-Fluoridhydrate: Na[MnF4(H2O)2] und Na[MnF4(H2O)2] · H2O / New Fluoride Hydrates of Manganese(III): Na[MnF4(H2O)2] and Na[MnF4(H2O)2] · H2O

1990 ◽  
Vol 45 (5) ◽  
pp. 593-597 ◽  
Author(s):  
Werner Massa ◽  
Roland E. Schmidt
Keyword(s):  
Crystal Structure ◽  
Structure Determination ◽  
Teller Effect ◽  
Crystal Structure Determination ◽  
Monoclinic Space Group ◽  
Space Group ◽  
Jahn Teller ◽  
Jahn Teller Effect

Crystalline Na[MnF4(H2O)2] and Na[MnF4(H2O)2] · H2O have been precipitated from aqueous HF solution of MnO(OH) and NaF. The crystal structure determination of the trihydrate (space group C 2/c, Z = 8, α = 1638.1(2), b = 667.6(2), c = 1130.3(1) pm, β = 103.78(1)°; R/wR = 0.038/0.033 for 1696 independent reflections) showed the presence of isolated octahedral trans-[MnF4(H2O)2]- anions with an elongation of the H2O-Mn—OH2 axis due to the Jahn-Teller effect (Mn 1-O 224.6(2), Mn 1—F(mean) 183.7(1); Mn2-0 218.3(2), Mn2— F(mean) 184.7(2) pm). As a consequence, an unusual H-bond geometry is observed with a tetrahedral (instead of trigonal) environment of the coordinated O atoms. Na[MnF4(H2O)2] is monoclinic (space group C 2/m, C 2 or Cm, a = 816.6(4), b = 677.1(1), c = 496.8(2), β = 114.45(3)°), the crystals show twinning and 1-dimensional disorder.

Über Oxocuprate, XIV Zur Kristallchemie von Sr2Cu3O4Cl2.

1976 ◽  
Vol 31 (4) ◽  
pp. 405-407 ◽  
Author(s):  
Bernd Grande ◽  
Hanskarl Müller-Buschbaum
Keyword(s):  
Single Crystal ◽  
Teller Effect ◽  
Space Group ◽  
X Ray ◽  
Jahn Teller ◽  
Jahn Teller Effect ◽  
Group D ◽  
Octahedral Distortion

The new compound Sr2Cu3O4Cl3 was prepared in melts of SrCl2. A single crystal X-ray examination (a = 546.2, c =1259.1 pm, space group D174h-I 4/mmm) shows that the octahedral distortion of the [Cu3O4Cl2]4--network cannot be explained only by the JAHN-TELLER effect.

Crystal Structure of a New Form of Cu3V2O8

1972 ◽  
Vol 50 (24) ◽  
pp. 3944-3949 ◽  
Author(s):  
Robert D. Shannon ◽  
Crispin Calvo
Keyword(s):  
Crystal Structure ◽  
Least Squares ◽  
Unit Cell ◽  
Teller Effect ◽  
Space Group ◽  
Jahn Teller ◽  
Jahn Teller Effect ◽  
New Form

A new form of Cu3V2O8 was prepared at 30 kbar and 900 °C. The unit cell has dimensions a = 6.2493(9), b = 7.9936(9), c = 6.3776(10) Å, β = 111.49(1)°, and the space group is P2/c. The crystal structure, refined by least-squares to a final R = 0.054, using 848 reflections, is similar to that of Mg3V2O8. Chains of edge-shared M2 octahedra run along the c axis at about y = ± 1/4 with M1 octahedra sharing two edges with the M2 octahedra. These octahedral networks at about y = ± 1/4 are linked by corner-shared V–O tetrahedra. The distortion from the Mg3V2O8 structure can be explained on the basis of the Jahn–Teller effect in which four of the octahedral Cu—O distances shorten to 1.93–1.99 Å and two Cu—O distances lengthen to 2.3–2.6 Å.

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