#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/11/1001162.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1001162
loop_
_publ_author_name
'Deschanvres, A'
'Leparmentier, L'
'Raveau, B'
_publ_section_title
;
Sur une nouvelle phase metastable Bi₁₋ₓ (Ta₁₊ₓ W₂₋ₓ) O₁₀₋₂ₓ
apparentee aux bronzes hexagonaux de tungstene
;
_journal_coden_ASTM              BSCFAS
_journal_name_full
;
Bulletin de la Societe Chimique de France (Vol=Year)
;
_journal_page_first              3459
_journal_page_last               3463
_journal_volume                  1971
_journal_year                    1971
_chemical_formula_structural     'Bi Ta W2 O10'
_chemical_formula_sum            'Bi O10 Ta W2'
_chemical_name_systematic        'Bismuth(V) tantalum(III) tungsten oxide *'
_space_group_IT_number           189
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      189
_symmetry_space_group_name_Hall  'P -6 -2'
_symmetry_space_group_name_H-M   'P -6 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   7.42
_cell_length_b                   7.42
_cell_length_c                   3.881
_cell_volume                     185.0
_exptl_crystal_density_meas      8.3
_refine_ls_R_factor_all          0.136
_cod_database_code               1001162
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
y-x,-x,z
x,y,-z
-y,x-y,-z
y-x,-x,-z
y,x,z
x-y,-y,z
-x,y-x,z
y,x,-z
x-y,-y,-z
-x,y-x,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Bi1 Bi5+ 1 b 0. 0. 0.5 1. 0 d
O1 O2- 1 a 0. 0. 0. 1. 0 d
Ta1 Ta3+ 3 g 0.49 0. 0.5 0.3333 0 d
W1 W6+ 3 g 0.49 0. 0.5 0.6667 0 d
O2 O2- 3 f 0.5 0. 0. 1. 0 d
O3 O2- 6 k 0.4 0.21 0.5 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Bi5+ 5.000
O2- -2.000
Ta3+ 3.000
W6+ 6.000
