scholarly journals Crystal structure of β-Zn3(PO4)2

1967 ◽  
Vol 45 (20) ◽  
pp. 2303-2316 ◽  
Author(s):  
J. S. Stephens ◽  
C. Calvo
Keyword(s):  
Crystal Structure ◽  
Oxygen Atom ◽  
Lattice Parameters ◽  
Monoclinic Space Group ◽  
Space Group ◽  
Basic Cation ◽  
Cation Coordination ◽  
Oxygen Atoms

β-Zn3(PO4)2 crystallizes in the monoclinic space group P 21/c with lattice parameters, a = 9.393(3) Å, b = 9.170(6) Å, c = 8.686(3) Å, β = 125.73(10)°, and Z = 4. The three independent cations are strongly ligated to 4, 5, and 5 oxygen atoms, with average Zn—O bond distances of 1.98 ± 0.09 Å, 2.10 ± 0.10 Å, and 2.08 ± 0.13 Å respectively. In addition there are two longer Zn—O distances of 2.51 Å and 2.55 Å in this structure. The PO4 groups exist as independent, nearly regular tetrahedra, with each oxygen atom ligated to two cations. Unlike the structures found for the α and γ phases of Zn3(PO4)2, which contain ribbons and sheets respectively as the basic cation coordination motif, the structure of β-Zn3(PO4)2 contains interconnected sheets.

Crystal structure of Cd2V2O7

1967 ◽  
Vol 45 (20) ◽  
pp. 2297-2302 ◽  
Author(s):  
P. K. L. Au ◽  
C. Calvo
Keyword(s):  
Crystal Structure ◽  
Oxygen Atom ◽  
Lattice Parameters ◽  
The Other ◽  
Distorted Octahedron ◽  
Thermal Activity ◽  
Space Group ◽  
Bond Angles ◽  
Central Oxygen ◽  
Oxygen Atoms

Cadmium pyrovanadate crystallizes in the C2/m space group with lattice parameters a = 7.088(5) Å, b = 9.091(5) Å, c = 4.963(5) Å, β = 103°21(5)′, and z = 2. This crystal is an isostructure of the mineral thortveitite and thus the anion consists of a pair of centrosymmetrically related corner-sharing VO4 tetrahedra while the cation resides within a distorted octahedron of oxygen atoms. The anion has a linear V—O—V group, but, as with the isostructural pyrophosphates, the central oxygen atom shows an anomalously high thermal activity. The V—O bond distances are 1.76 Å for the inner bond and 1.70 Å for the terminal bond. The bond angles about the anion and cation are similar to those found for the other analogues of thortveitite.

THE CRYSTAL STRUCTURE OF α-Zn3(PO4)2

1965 ◽  
Vol 43 (2) ◽  
pp. 436-445 ◽  
Author(s):  
Crispin Calvo
Keyword(s):  
Crystal Structure ◽  
Oxygen Atom ◽  
Tetrahedral Site ◽  
Green Emission ◽  
Lattice Parameters ◽  
Monoclinic Space Group ◽  
Space Group ◽  
Oxygen Tetrahedron

α-Zn3(PO4)2 crystallized in the monoclinic space group C2/c with lattice parameters a = 8.14 ± 0.02 Å, b = 5.63 ± 0.01 Å, c = 15.04 ± 0.04 Å, β = 105°08′ ± 05′, and Z = 4. The cations are found in two types of tetrahedrally coordinated sites. One-third of the cations lie on twofold axes within an oxygen tetrahedron. The remaining cations are found in a pair of edge-sharing oxygen atom tetrahedra. The green emission of Mn++ in α-Zn3(PO4)2 is consistent with Mn++ substituting for Zn++ in either tetrahedral site.

Crystal structure of vanadium(III) tris(metaphosphate)

1977 ◽  
Vol 55 (10) ◽  
pp. 1673-1679 ◽  
Author(s):  
Nora Middlemiss ◽  
Frank Hawthorne ◽  
Crispin Calvo
Keyword(s):  
Crystal Structure ◽  
Least Squares ◽  
Lattice Parameters ◽  
Monoclinic Space Group ◽  
Full Matrix ◽  
Space Group ◽  
Bond Lengths ◽  
Standard Space ◽  
A Cell ◽  
Oxygen Atoms

Vanadium(III) tris(metaphosphate), V(PO3)3, crystallizes in the monoclinic space group Ic with lattice parameters a = 10.615(2), b = 19.095(4), c = 9.432(1) Å, β = 97.94(1)° with Z = 12. The equivalent parameters in the standard space group Cc are a = 13.189(1), b = 19.095(4), c = 9.432(1) Å, and β = 127.15(1)°. The structure was refined by full-matrix least-squares to an R = 0.091 (Rω = 0.065) utilizing 2467 reflections with the atomic positions and their isotropic vibration amplitudes as parameters. The structure consists of infinite chains of PO4 tetrahedra sharing corners with each other and bridged by VO6 octahedra. All oxygen atoms are shared between just two cations. The average [Formula: see text] bond is 1.581 Å while the average of those shared with vanadium is 1.483 Å. The VO6 group is moderately distorted, with differences of less than 0.06 Å between the longest and shortest V—O bond lengths in any of the three distinct VO6 groups. The average V—O bond lengths for the three VO6 groups are 1.995, 1.991, and 1.987 Å. A marked superlattice effect based on a cell with b/3 is noted.

THE CRYSTAL STRUCTURE AND PHASE TRANSITIONS OF β-Zn2P2O7

1965 ◽  
Vol 43 (5) ◽  
pp. 1147-1153 ◽  
Author(s):  
Crispin Calvo
Keyword(s):  
Crystal Structure ◽  
Phase Transitions ◽  
Oxygen Atom ◽  
Bond Angle ◽  
Thermal Motion ◽  
Mirror Plane ◽  
Red Emission ◽  
Space Group ◽  
Central Oxygen ◽  
Cation Coordination

β-Zn2P2O7 crystallizes in the C2/m space group with lattice parameters a = 6.61 ± 0.01 Å, b = 8.29 ± 0.01 Å, c = 4.51 ± 0.01 Å, β = 105.4° ± 0.2° and z = 2. The anion, P2O7−4, is centered with its mirror plane coinciding with the mirror plane of the space group. The central oxygen atom, however, shows high anisotropic thermal motion and thus it appears that the P—O—P bond angle is linear only as a result of thermal averaging. The cations are found on twofold axes in irregular sixfold coordination and these ZnO6 groups share three edges with neighboring cations. This cation coordination is, therefore, consistent with that predicted from the red emission of β-Zn2P2O7:Mn++.

Organoamido- and Aryloxo-lanthanoids. X. Tris(η2-3,5-di-t-butylpyrazolato)lanthanoid(III) Complexes and the X-Ray Crystal Structure of Er(η2-But2pz)3(thf)2

1994 ◽  
Vol 47 (7) ◽  
pp. 1223 ◽  
Author(s):  
JE Cosgriff ◽  
GB Deacon ◽  
BM Gatehouse ◽  
H Hemling ◽  
H Schumann
Keyword(s):  
Crystal Structure ◽  
Triphenylphosphine Oxide ◽  
The Other ◽  
Monoclinic Space Group ◽  
Space Group ◽  
X Ray ◽  
Trigonal Bipyramidal ◽  
Oxygen Atoms

The complexes Ln (But2pz)3( thf )2 ( Ln = Y, La, Pr, Nd , Sm, Gd, Dy , Er , Yb, Lu; But2pz- = 3,5-di-t-butylpyrazolate; thf = tetrahydrofuran ), and [ Ln (But2pz)3(OPPh3)2].( dme )n ( Ln = La, n = ⅔ ; Ln = Er , n = 1; dme = 1,2-dimethoxyethane) have been prepared by reaction of the lanthanoid metal with bis ( pentafluorophenyl )mercury and the corresponding pyrazole in either thf , or in dme in the presence of triphenylphosphine oxide. The X-ray crystal structure of Er (η2-But2pz)3( thf )2 [monoclinic, space group P21 (No. 4), a 9.738(4), b 19.602(4), c 11.636(4) Ǻ, β 99.42(3)°, R 0.0374 for 3667 observed reflections] shows the complex to be an eight-coordinate monomer with three chelating But2pz ligands . The arrangement of centres ( Cen ) of the N-N bonds of the But2pz ligands [< Er -N> 2.336 Ǻ; Cen-Er-Cen 140.1(4)°, 110.3(4)° and 109.6(4)°] and the thf oxygen atoms [< Er -O> 2.351 Ǻ; O- Er -O 140.1(4)°] is intermediate between trigonal bipyramidal and square pyramidal. The other Ln (But2pz)3( thf )2 complexes and Ln (But2pz)3(OPPh3)2 are considered to have similar structures.

The crystal structure of N-[[6-methoxy-5-(trifluoromethyl)thio-1-naphthalenyl]thioxomethyl]-N-methylglycine, C16H14F3NO3S2

1983 ◽  
Vol 61 (9) ◽  
pp. 2137-2140 ◽  
Author(s):  
Kottayil I. Varughese ◽  
Maria Przybylska ◽  
Kazimir Sestanj ◽  
Francesco Bellini ◽  
Leslie G. Humber
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Least Squares ◽  
Attractive Interaction ◽  
Monoclinic Space Group ◽  
Intermolecular Hydrogen Bonds ◽  
Space Group ◽  
Block Diagonal ◽  
Oxygen Atoms

The crystals of C16H14F3NO3S2 belong to the monoclinic space group P21/c with a = 11.577(1), b = 12.404(1), c = 12.366(1) Å, β = 90.01(1)°, and Z = 4. The structure was solved by MULTAN 78. The parameters were refined by block-diagonal least-squares to a final R of 0.047 for 2679 observed reflections. Of particular interest is an intramolecular attractive interaction between the sulfur and oxygen atoms with an [Formula: see text] distance of 2.879(2) Å, in which oxygen appears to act as an electrophile. Intermolecular hydrogen bonds between the hydroxyl and keto groups join the molecules related through a centre of symmetry into dimers.

Synthese und Kristallstruktur von (Cyclopentadienyl)(dicarbonyl)(1,5-di-/Molyl-pentaazadienido)molybdän, (Cp)Mo(CO)2(tolN5tol)/ Synthesis and Crystal Structure of (Cyclopentadienyl)(dicarbonyl)(1,5-di-p-tolyl-pentaazadienido)molybdenum, (Cp)Mo(CO)2(tolN5tol)

1988 ◽  
Vol 43 (8) ◽  
pp. 1029-1032 ◽  
Author(s):  
Johannes Beck
Keyword(s):  
Crystal Structure ◽  
Nitrogen Atom ◽  
Metal Atom ◽  
Chelate Ring ◽  
Lattice Parameters ◽  
Monoclinic Space Group ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
Membered Chelate Ring

Abstract(Cp)Mo(CO)2(tolN5tol) is formed in the reaction of (Cp)Mo(CO)3Cl with tolNN(NH)NNtol and NaOH in ethanol. It forms red platelike crystals from THF/hexane which crystallize in the monoclinic space group P21/n with the lattice parameters a = 765.6(2), b = 2372.3(3), c = 1149.4(2) pm, β = 97.06(2)°, Z = 4. The structure consists of monomeric complexes. The pentaazadienido ligand chelates with its nitrogen atoms N1 and N3 the Mo atom of a (Cp)Mo(CO)2 unit. The nitrogen atom N5 is not coordinated to the metal atom. Although asymmetrically bonded, the all trans N5 zig zag chain is planar. The N -N distances in the four membered chelate ring are nearly equal (N1 - N2 = 131.0 and N2 - N3 = 132.6 pm)

Structure and Magnetic Properties of a (μ-Oxo)diiron(III) Complex

1993 ◽  
Vol 48 (3) ◽  
pp. 313-317 ◽  
Author(s):  
Ayhan Elmali ◽  
Yalcin Elerman ◽  
Ingrid Svoboda ◽  
Hartmut Fuess ◽  
Klaus Griesar ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Magnetic Properties ◽  
Magnetic Susceptibility ◽  
Oxygen Atom ◽  
Monoclinic Space Group ◽  
Temperature Dependent ◽  
Space Group

μ-Oxo-bis[N ,N '-o-phenylene-di(salicylaldiminato)iron(III)] was synthesized in dioxane solvent and its crystal structure determined. [C2OH14N ,OiFe]-,O · (C4H8O2), monoclinic, space group P21/ c ,a = 14.650(2), b = 18.990(1), c = 13.296(1) Å, β = 76.080(7), V = 3590.3 Å3, Z = 4. Two iron (III) atoms in square pyramidal pentacoordination are bridged by an oxygen atom with an Fe - O - Fe angle of 145 and a Fe-Fe distance of 3.409(1) Å. The iron (III) centers are antiferrommagnetically coupled (J = -9 8 .5 cm-1), as derived from temperature-dependent magnetic susceptibility measurements in the range 4.2 to 286.5 K.

Nitrido-zido-Komplexe des Molybdän(VI): Synthese und Kristallstruktur von MoN(N3)2Cl(terpy)/ Nitrido Azido Complexes of Molybdenum(VI): Synthesis and Crystal Structure of MoN(N3)2Cl(terpy)

1985 ◽  
Vol 40 (8) ◽  
pp. 1073-1076 ◽  
Author(s):  
Johannes Beck ◽  
Eberhard Schweda ◽  
Joachim Strähle
Keyword(s):  
Crystal Structure ◽  
Main Product ◽  
Heterogeneous Reaction ◽  
Lattice Parameters ◽  
Pentagonal Bipyramid ◽  
Monoclinic Space Group ◽  
Synthesis And Crystal Structure ◽  
Trans Effect ◽  
Space Group ◽  
Subsequent Addition

AbstractMoN(N3)2Cl(terpy) is formed by the reaction of MoCl4(C2H5CN)2 with (CH3)3SiN3 and subsequent addition of terpy. This complex appears also as the main product o f the heterogeneous reaction between MoCl3(terpy) and (CH3)3SiN3. It crystallizes in the monoclinic space group P 21/c with the lattice parameters a = 875.5, b = 1041.4, c = 1891.3 pm, β = 97.00°, Z = 4. The central Mo atom is seven-coordinated in the form of a slightly distorted pentagonal bipyramid, the nitrido and chloro ligands being in axial positions. The triply bonded nitrido ligand ( Mo - N 1 = 166.2 pm) causes a strong trans effect, resulting in a long Mo-Cl distance of 271.9 pm.

Oxotetrafluoro-vanadate(V): Die Kristallstruktur von [enH2] [VOF4(H2O)]2.

1976 ◽  
Vol 31 (5) ◽  
pp. 541-543 ◽  
Author(s):  
Helmut Rieskamp ◽  
Rainer Mattes
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Least Squares ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
Trans Position ◽  
Space Group ◽  
X Ray ◽  
In Trans ◽  
Oxygen Atoms

The crystal structure of [enH2][VOF4(H2O)]2 has been determined from X-ray diffractometer data. Crystals are monoclinic, space group C2/c with Z = 4 in a unit cell of dimensions a = 16.576(13), b = 7.781(4), c = 10.338(8) Å, β = 120.0(1)°.The structure was refined by least-squares methods to R 0.053 for 1436 reflections. The structure contains monomeric [VOF4(H2O)]⁻-ions with the oxygen atoms in trans position. The bond distances are 1.577 Å (terminal oxygen) and 2.333 Å (H2O molecule), resp. The V–F distances vary between 1.769(2) and 1.858(2) Å for fluorine atoms involved in strong hydrogen bonds.

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