Geometrische Größen und einfache Modellrechnungen für BO4-Gruppen
Abstract
Most BO4-groups deviate significantly from a regular tetrahedron with symmetry [unk]3m-Td. The geometry of these deviations and the extent of the distortions are the main topics of this study. The shapes of 256 borate groups in 128 compounds have been investigated. In BO3-groups with O … BO3 distances shorter than 3 Å the boron atom is displaced from the plane of the BO3-group towards the fourth oxygen atom. The displacement increases as the O … B distance decreases. Borate groups in orthorhombic and cubic boracites seem to represent the extreme distortions of OB[3+1]O3- and B[4]O4-groups, respectively. Mean B—O distances of the 242 B[4]O4-groups vary from 1.444 to 1.534 Å, individual B—O distances from 1.373 to 1.699 Å [mean value = 1.476(35) Å], individual O—B—O angles from 95.72 to 119.43° [mean value = 109.44(2.78)°]. Two simple models, e.g. a variant of a hybrid orbital model and a ligand repulsion model, have been used to calculate the shape of BO4-groups with trigonal symmetry, which are in good agreement with those experimentally determined.
Articles in the same Issue
- Solid state polymerization of diacetylenes
- Solid state polymerization of diacetylenes 4*
- Solid state polymerization of diacetylenes
- Search tree method for the determination of similarity operators between arbitrary lattices
- Bond valence VS bond length and Pauling's bond strength: The Ca – O bond
- Geometrische Größen und einfache Modellrechnungen für BO4-Gruppen
- The crystal structure of 1-methyltriphenylene
- Structure cristalline de la (1R,5R)-(+)-dibenzyl-3,3 nopinone. Dichroïsme circulaire des dérivés dialkylés de la nopinone
- Neutron powder investigation of CuI*
- Single crystal structure refinement of high-pressure ZnGeO3 ilmenite
- Structural investigation of an antimony-rich pinakiolite, Mg1.90Mn0.91Sb0.19O2BO3, from Långban, Sweden
- The crystal structure of δ-yttrium pyrosilicate, δ-Y2Si2O7
- Crystal structure of mimetite, Pb5(AsO4)3Cl
- Advanced Techniques for Microstructural Characterization
- New Crystal Structures
- Crystal structure of silver pentabromodiplumbate, AgPb2Br5
- Crystal structure refinement of rubidium vanadium diphosphate, RbVP2O7
- Crystal structure of niobium pentachloride, NbCl5
- Crystal structure of copper(I) tetrachlorogallate, CuGaCl4
- Crystal structure of η5-cyclopentadienyl-di-η2-(tert.butylamine-diallyl)cobalt(II), (C5H5)CoC6H10NC(CH3)3
- Crystal structure of 8-(α-phenylethyl)-aminochinolin-palladium(II) chloride, (C9H6N)PdCl2(NH(CH3)(CH)(C6H5))
- Crystal structure refinement of decacarbonylbis(triphenylphosphine)tetrairidium, (CO)10(P(C6H5)3)2Ir4
- Crystal structure of nonacarbonyl-trimethylphosphine-dimanganese, ((CH3)3P)(CO)4Mn2(CO)5
- Crystal structure of diaqua-bis(diaminoethane)-copper bis(1-oxo-1,2-diphenyl-3,3,5-tricarbbutoxy-1,2-diphosphacyclopentanonate) bis(methanol), (H2O)2Cu(C2H8N2)2(C30H37O8P2)2(CH3OH)2
Articles in the same Issue
- Solid state polymerization of diacetylenes
- Solid state polymerization of diacetylenes 4*
- Solid state polymerization of diacetylenes
- Search tree method for the determination of similarity operators between arbitrary lattices
- Bond valence VS bond length and Pauling's bond strength: The Ca – O bond
- Geometrische Größen und einfache Modellrechnungen für BO4-Gruppen
- The crystal structure of 1-methyltriphenylene
- Structure cristalline de la (1R,5R)-(+)-dibenzyl-3,3 nopinone. Dichroïsme circulaire des dérivés dialkylés de la nopinone
- Neutron powder investigation of CuI*
- Single crystal structure refinement of high-pressure ZnGeO3 ilmenite
- Structural investigation of an antimony-rich pinakiolite, Mg1.90Mn0.91Sb0.19O2BO3, from Långban, Sweden
- The crystal structure of δ-yttrium pyrosilicate, δ-Y2Si2O7
- Crystal structure of mimetite, Pb5(AsO4)3Cl
- Advanced Techniques for Microstructural Characterization
- New Crystal Structures
- Crystal structure of silver pentabromodiplumbate, AgPb2Br5
- Crystal structure refinement of rubidium vanadium diphosphate, RbVP2O7
- Crystal structure of niobium pentachloride, NbCl5
- Crystal structure of copper(I) tetrachlorogallate, CuGaCl4
- Crystal structure of η5-cyclopentadienyl-di-η2-(tert.butylamine-diallyl)cobalt(II), (C5H5)CoC6H10NC(CH3)3
- Crystal structure of 8-(α-phenylethyl)-aminochinolin-palladium(II) chloride, (C9H6N)PdCl2(NH(CH3)(CH)(C6H5))
- Crystal structure refinement of decacarbonylbis(triphenylphosphine)tetrairidium, (CO)10(P(C6H5)3)2Ir4
- Crystal structure of nonacarbonyl-trimethylphosphine-dimanganese, ((CH3)3P)(CO)4Mn2(CO)5
- Crystal structure of diaqua-bis(diaminoethane)-copper bis(1-oxo-1,2-diphenyl-3,3,5-tricarbbutoxy-1,2-diphosphacyclopentanonate) bis(methanol), (H2O)2Cu(C2H8N2)2(C30H37O8P2)2(CH3OH)2
