X-ray powder diffraction as a tool for facing twins: The case of the monoclinic NbCoTe[sub 2] and TaCoTe[sub 2] phases
- Rutgers Univ., Camden, NJ (United States)
- Universita di Milano (Italy)
TaCoTe[sub 2] has been synthesized from the elements at 900[degrees]C in evacuated silica tubes; the crystals of TaCoTe[sub 2] are monoclinic, space group P2[sub 1]/c (No. 14), with a=8.524(6)[angstrom], b = 6.2649(4) [angstrom], c = 7.7945(5)[angstrom], [beta] = 116.789(4)[degrees], and Z = 4, and appear to be heavily twinned about the (100) plane. Therefore, powder diffraction data and Rietveld refinement were used to assess the correct stereochemistry of the atoms of this new compound. In addition, the already reported NbCoTe[sub 2] compound has been found to be, in the bulk, monoclinic [a = 8.1612(4) [angstrom], b = 6.2976(3) [angstrom], c = 7.8518(4) [angstrom], [beta] = 117.487(3)[degrees]], rather than orthorhombic, and isostructural to TaCoTe[sub 2]. The stereochemical interpretation of this change of crystal symmetry is given in terms of a significant asymmetrical bending of one tellurium atom toward one Nb (or Ta) atom, making these metals five-, rather than six-, coordinated.
- OSTI ID:
- 5090601
- Journal Information:
- Inorganic Chemistry; (United States), Journal Name: Inorganic Chemistry; (United States) Vol. 32:22; ISSN 0020-1669; ISSN INOCAJ
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
360602* -- Other Materials-- Structure & Phase Studies
CHALCOGENIDES
CHEMICAL PREPARATION
COBALT COMPOUNDS
COBALT TELLURIDES
CRYSTAL LATTICES
CRYSTAL STRUCTURE
LATTICE PARAMETERS
MILLER INDICES
MONOCLINIC LATTICES
NIOBIUM COMPOUNDS
NIOBIUM TELLURIDES
REFRACTORY METAL COMPOUNDS
SYNTHESIS
TANTALUM COMPOUNDS
TANTALUM TELLURIDES
TELLURIDES
TELLURIUM COMPOUNDS
TRANSITION ELEMENT COMPOUNDS
TWINNING