Crystal structure of β-Cu2P2O7

1968 ◽  
Vol 46 (4) ◽  
pp. 605-612 ◽  
Author(s):  
B. E. Robertson ◽  
C. Calvo
Keyword(s):  
Crystal Structure ◽  
High Temperature ◽  
Low Temperature ◽  
Thermal Parameters ◽  
X Ray ◽  
Bond Lengths ◽  
Disordered Structure ◽  
Anisotropic Motion ◽  
Axial Bond ◽  
Ray Methods

The crystal structure of β-CU2P2O7 has been determined by X-ray methods. The crystals are monoclinic with a = 6.827(8) Å, b = 8.118(10) Å, c = 4.576(6) Å, β = 108.85(10)°, Z = 2, and space group C2/m. This structure is analogous to that of the mineral thortveitite and the high temperature forms of the pyrophosphates of Zn, Mg, and Mn. The cations are octahedrally coordinated to oxygen atoms with equatorial Cu—O bonds of 2.00 Å and 1.94 Å while the axial bond lengths are 2.58 Å. The anion has inner P—O bonds of 1.542 Å and average terminal bonds of 1.509 Å. In addition to the usual refinement with anisotropic thermal parameters, the structure has been refined in terms of a disordered structure generated from the low temperature α form of CU2P2O7. This disordered model agrees as well with the data (R = 0.12) as the structure based on the thortveitite structure with large anisotropic motion assigned to the atoms.

Improved Synthetic Route to Unsymmetrically Substituted Phosphinimino-phosphonium Salts. Crystal Structure of Tri-n-butyl- [tris(diethylamino)phosphinimino]phosphonium Chloride

2001 ◽  
Vol 56 (12) ◽  
pp. 1319-1321 ◽  
Author(s):  
R. Bartsch ◽  
M. Freytag ◽  
S. Goller ◽  
R G. Jones ◽  
R. Schmutzler
Keyword(s):  
Crystal Structure ◽  
Low Temperature ◽  
Title Compound ◽  
Phosphonium Salts ◽  
Synthetic Route ◽  
X Ray ◽  
Bond Lengths ◽  
Phosphonium Chloride

Abstract The title compound was prepared from tri-n-butyl-chlorophosphonium chloride and N-tri-methylsilyl-tris(diethylamino)-phosphinimine. A low temperature X-ray crystal structure de­termination revealed PN bond lengths of 156.1(2) and 158.0(2) pm, with a PNP angle of 149.36(17)°.

Synthesis, IR Spectrum and Crystal Structure of a,a′-Dipyridyldi(iodineazide)/Synthesis, IR Spectrum and Crystal Structure of a,a′-Dipyridyldi(iodineazide)

1983 ◽  
Vol 38 (4) ◽  
pp. 437-441 ◽  
Author(s):  
Hans Dörner ◽  
Kurt Dehnicke ◽  
Kurt Dehnicke ◽  
Werner Massa ◽  
Roland Schmidt
Keyword(s):  
Crystal Structure ◽  
Melting Point ◽  
Dihedral Angle ◽  
Structure Determination ◽  
Ir Spectrum ◽  
X Ray ◽  
Bond Lengths ◽  
Covalently Bonded ◽  
Moisture Sensitive ◽  
Ray Methods

Abstract The complex [a,a′-dipyridyl(IN3)2] can be prepared by reaction of a,a′-dipyridyl with iodine azide in CH2CI2 solution. It forms stable, yellow, moisture-sensitive crystals of melting point 73 °C. According to the IR spectrum the IN3 molecules are covalently bonded to the N atoms of the dipyridyl via the iodine atoms. The crystal structure determination was carried out by X-ray methods (2127 independent reflexions, R = 3.2%). The complex crystallizes in the space group P21/c with four formula units per unit cell, (a = 1299, b = 726, c -1647 pm; β = 96.1°). The IN3 molecules form linear bridges Nα-I-N to the nitrogen atoms of the pyridyl rings with bond lengths Nα-I 217 pm and Npyr-I 244 pm. The dihedral angle of the pyridyl rings is 63.4°.

The Preparation and Crystal Structure of Polymeric Anhydrous Sodium Hydrogen o-Phenylenedioxydiacetate

1992 ◽  
Vol 45 (5) ◽  
pp. 947 ◽  
Author(s):  
RC Bott ◽  
DS Sagatys ◽  
DE Lynch ◽  
G Smith ◽  
CHL Kennard
Keyword(s):  
Crystal Structure ◽  
Carboxylic Acid ◽  
Monoclinic Space Group ◽  
X Ray ◽  
Carboxylate Oxygen ◽  
Sodium Hydrogen ◽  
Acid Proton ◽  
Axial Bond ◽  
A Cell ◽  
Ray Methods

The crystal structure of anhydrous sodium hydrogen o-phenylenedioxydiacetate , [Na2( Hbdda )2]n, has been determined by X-ray methods and refined to a residual R 0.031 for 1234 observed reflections. Crystals are monoclinic, space group C2/c with Z 4 in a cell of dimensions a 18.415(6), b 7.4667(7), c 16.354(7) � ,β112.61(2)�. The dimeric repeating unit has two centrosymmetrically related pentagonal pyramidal Na-O6 complex centres [Na-0, 2.272-2.439(2) � ] bridged by carboxylate oxygens. The pentagonal plane comprises four oxygens from the Hbdda ligand as well as one providing the bridging link. The axial bond gives the step-polymer link while the carboxylic acid proton is hydrogen bonded to a carboxylate oxygen of the inversion-related Hbdda ligand [O…O, 2.469(2) � ].

Darstellung und Kristallstrukturen von LiGaCl4 und LiGaI4/ Preparation and Crystal Structure of LiGaCL4 and LiGaI4

1987 ◽  
Vol 42 (2) ◽  
pp. 248-250 ◽  
Author(s):  
Wolfgang Hönle ◽  
Bernhard Hettich ◽  
Arndt Simon
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Crystal Structures ◽  
X Ray ◽  
Common Features ◽  
Bond Lengths ◽  
Ray Methods

Abstract The crystal structures of LiGaCl4 and LiGaI4 have been determined by single crystal X-ray methods. Both compounds are isotypic with LiAlCl4 and characterized by LiX6 octahedra and GaX4 tetrahedra. Mean bond lengths are: d̄(Ga-X) = 217.4 pm (Cl) and 255.9 pm (I); d̄(Li-X) = 263.9 pm (Cl) and 305.3 pm (I), respectively. Common features of the isotypic compounds LiGaX4 (X = Cl, Br. I) are discussed.

Notizen: Die Kristallstruktur des Rhenium-Tolankomplexes [ReCl4(PhC ≡ CPhXOPCl3)] / The Crystal Structure of the Rhenium-tolane Complex [ReCl4(PhC ≡ CPh)(OPCl3)]

1993 ◽  
Vol 48 (7) ◽  
pp. 1019-1022 ◽  
Author(s):  
Gerlinde Frenzen ◽  
Dorothea Wolff von Gudenberg ◽  
Kurt Dehnicke
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Oxygen Atom ◽  
Bond Length ◽  
Trans Position ◽  
X Ray ◽  
Bond Lengths ◽  
In Trans ◽  
Ray Methods ◽  
Ligand Bond

The crystal structure of [ReCl4(PhC = CPh)(OPCl3)] was solved with X-ray methods. Space group P1̄, Z = 2, 2085 observed unique reflections, R = 0.029. Lattice dimensions at -70°C: a = 857.0(2), b = 937.9(2), c = 1249.6(2) pm, α = 87.43(3)°, β = 83.48(3)°, γ = 89.80(3)°. [ReCl4(PhC ≡ CPh)(OPCl3)] has a molecular structure with the alkyne ligand bonded side-on (bond lengths Re-C 198.9(8) and 198.6(7) pm). The oxygen atom of the solvating POCl3 molecule is coordinated in trans position to the ReC2 unit of the alkyne ligand (bond length Re-O 226.7(5) pm).

Die Kristallstruktur des „Indium-Diiodids“ (InIInIIII4) / The Crystal Structure of “Indium -Diiodide” (InIInIIII4)

1984 ◽  
Vol 39 (3) ◽  
pp. 310-313 ◽  
Author(s):  
H. P. Beck
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Orthorhombic Space Group ◽  
Coordination Polyhedra ◽  
Space Group ◽  
X Ray ◽  
Lattice Constants ◽  
Bond Lengths ◽  
Ray Methods

The crystal structure of InIInIIII4 (Indium-diiodide) has been determined by single crystals X-ray methods. The compound crystallized with a GaCl2-type arrangement in the orthorhombic space group Pnna (lattice constants: a = 842.7(3) pm, b = 1096.5(3) pm, c = 1117.3(3) pm). Coordination polyhedra and bond lengths are discussed in comparison with other In iodides.

Die Kristallstrukturen von Ph3PNPh, [Ph3PN(H)Ph][AuI2] und von 2,3-Bis(triphenylphosphoranimino)maleinsäure-N-methylimid / The Crystal Structures of Ph3PNPh, [Ph3PN(H)Ph][AuI2] and of 2,3-Bis(triphenylphosphoranimino)maleic Acid-N-methylimide

1988 ◽  
Vol 43 (2) ◽  
pp. 138-148 ◽  
Author(s):  
Eberhard Böhm ◽  
Kurt Dehnicke ◽  
Johannes Beck ◽  
Wolfgang Hiller ◽  
Joachim Strähle ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Crystal Structures ◽  
Maleic Acid ◽  
Staudinger Reaction ◽  
Space Group ◽  
X Ray ◽  
Bond Angles ◽  
Bond Lengths ◽  
Structure Determinations ◽  
Ray Methods

[Ph3PN(H)Ph][AuI2] (2) is formed by the reaction of AuI with N-Phenyl-iminotriphenylphosphorane, Ph3PNPh in a toluene suspension. 2,3-Bis(triphenylphosphinimino)maleic acid-N-methylimide (3) has been prepared by the Staudinger reaction of 2,3-bis(azido)maleic acid-N-methylimide with PPh3 in THF solution in the form of red crystals. Crystal structure determinations of three iminophosphoranes were carried out by X-ray methods.Ph3PNPh (1): space group P21/c, Z = 4, 2176 independent observed reflexions, R = 0.057. Lattice dimensions (-30 °C): a = 1126.4, b = 1148.6, c = 1476.0 pm; β = 97.21°. The compound forms monomeric molecules with P=N = 160.2 pm and an PNC angle of 130.4°.[Ph3PN(H)Ph][AuI2] (2): space group P1̄, Z = 2, 1780 independent observed reflexions, R = 0.057. Lattice dimensions (18 °C); a = 824.9, b = 1022, c = 1476.2 pm; α = 89.23°, β = 87.41°, γ = 85.65°. The compound consists of ions [Ph3PN(H)Ph]⊕ with P=N = 162.4 pm and PNC = 129.3°, and anions [AuI2]⊖ with Au-I = 261.9 and 259.3 pm, IAuI = 176.8°.(Ph3P)2N2C4O2 (NMe) (3): space group P1̄, Z = 2, 4972 independent observed reflexions, R = 0.050. Lattice dimensions (-90 °C): a = 904.7, b = 993.8, c = 2017.4 pm; α = 101.55°, β = 96.39°, γ = 105.81°. The compound forms monomeric molecules with syn-conformation of the two NPPh3 groups. Bond lengths: P=N = 157.1; 155.3 pm, bond angles: PNC = 133°; 136°

scholarly journals High-pressure synthesis and crystal structure of the mixed-cation borate Ga4In4B15O33(OH)3

2019 ◽  
Vol 74 (4) ◽  
pp. 357-363
Author(s):  
Daniela Vitzthum ◽  
Hubert Huppertz
Keyword(s):  
Crystal Structure ◽  
High Pressure ◽  
High Temperature ◽  
Diffraction Data ◽  
X Ray Diffraction ◽  
Synthesis And Crystal Structure ◽  
X Ray ◽  
Mixed Cation ◽  
High Pressure High Temperature ◽  
Pressure Synthesis

AbstractThe mixed cation triel borate Ga4In4B15O33(OH)3 was synthesized in a Walker-type multianvil apparatus at high-pressure/high-temperature conditions of 12.5 GPa and 1300°C. Although the product could not be reproduced in further experiments, its crystal structure could be reliably determined via single-crystal X-ray diffraction data. Ga4In4B15O33(OH)3 crystallizes in the tetragonal space group I41/a (origin choice 2) with the lattice parameters a = 11.382(2), c = 15.244(2) Å, and V = 1974.9(4) Å3. The structure of the quaternary triel borate consists of a complex network of BO4 tetrahedra, edge-sharing InO6 octahedra in dinuclear units, and very dense edge-sharing GaO6 octahedra in tetranuclear units.

The Application of X-Ray Diffraction at Elevated Temperatures to Study the Mechanism of Formation of Sodium Tripolyphosphate

1961 ◽  
Vol 5 ◽  
pp. 276-284
Author(s):  
E. L. Moore ◽  
J. S. Metcalf
Keyword(s):  
High Temperature ◽  
Low Temperature ◽  
Amorphous Phase ◽  
Elevated Temperatures ◽  
Sodium Tripolyphosphate ◽  
X Ray Diffraction ◽  
Mechanism Of Formation ◽  
X Ray ◽  
Temperature Form ◽  
High Temperature Form

AbstractHigh-temperature X-ray diffraction techniques were employed to study the condensation reactions which occur when sodium orthophosphates are heated to 380°C. Crystalline Na4P2O7 and an amorphous phase were formed first from an equimolar mixture of Na2HPO4·NaH2PO4 and Na2HPO4 at temperatures above 150°C. Further heating resulted in the formation of Na5P3O10-I (high-temperature form) at the expense of the crystalline Na4P4O7 and amorphous phase. Crystalline Na5P3O10-II (low-temperature form) appears after Na5P3O10-I.Conditions which affect the yield of crystalline Na4P2O7 and amorphous phase as intermediates and their effect on the yield of Na5P3O10 are also presented.

scholarly journals X-ray diffraction analysis of kaolin M1 and M2 via the Williamson–Hall and Warren–Averbach methods

2021 ◽  
pp. 174751982098472
Author(s):  
Lalmi Khier ◽  
Lakel Abdelghani ◽  
Belahssen Okba ◽  
Djamel Maouche ◽  
Lakel Said
Keyword(s):  
Grain Size ◽  
High Temperature ◽  
Low Temperature ◽  
Diffraction Analysis ◽  
Mechanical Resistance ◽  
X Ray Diffraction ◽  
Integral Breadth ◽  
X Ray ◽  
Mullite Phase

Kaolin M1 and M2 studied by X-ray diffraction focus on the mullite phase, which is the main phase present in both products. The Williamson–Hall and Warren–Averbach methods for determining the crystallite size and microstrains of integral breadth β are calculated by the FullProf program. The integral breadth ( β) is a mixture resulting from the microstrains and size effect, so this should be taken into account during the calculation. The Williamson–Hall chart determines whether the sample is affected by grain size or microstrain. It appears very clearly that the principal phase of the various sintered kaolins, mullite, is free from internal microstrains. It is the case of the mixtures fritted at low temperature (1200 °C) during 1 h and also the case of the mixtures of the type chamotte cooks with 1350 °C during very long times (several weeks). This result is very significant as it gives an element of explanation to a very significant quality of mullite: its mechanical resistance during uses at high temperature remains.

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