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#$Date: 2015-10-15 00:49:06 +0300 (Thu, 15 Oct 2015) $
#$Revision: 169012 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/99/1539925.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_1539925
loop_
_publ_author_name
'Vorontsova, O.L.'
'Lazoryak, B.I.'
'Malakho, A.P.'
'Morozov, V.A.'
'Stefanovich, S.Yu.'
_publ_section_title
;
 Ferroelectric and nonlinear properties of Ca9-x Cdx Bi (V O4)7 vanadates
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              1932
_journal_page_last               1942
_journal_volume                  49
_journal_year                    2004
_chemical_formula_sum            'Bi1.29 Ca7.92 Cd0.79 O28 V7'
_chemical_name_systematic        'Ca7.92 Cd0.79 Bi1.29 (V O4)7'
_space_group_IT_number           161
_symmetry_space_group_name_Hall  'R 3 -2"c'
_symmetry_space_group_name_H-M   'R 3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   10.8871
_cell_length_b                   10.8871
_cell_length_c                   37.935
_cell_volume                     3893.993
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Vorontsova_ZNOKAQ_2004_600.cif
_cod_data_source_block           Bi1.29Ca7.92Cd0.79O28V7
_cod_database_code               1539925
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-y,-x,z+1/2
x,x-y,z+1/2
-x+y,y,z+1/2
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
-y+2/3,-x+1/3,z+5/6
x+2/3,x-y+1/3,z+5/6
-x+y+2/3,y+1/3,z+5/6
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
-y+1/3,-x+2/3,z+7/6
x+1/3,x-y+2/3,z+7/6
-x+y+1/3,y+2/3,z+7/6
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
V1 V+4 0 0 0.2664 1 0.0
V2 V+4 0.6866 0.8606 0.1343 1 0.0
Ca2 Ca+2 0.6167 0.8259 0.2345 0.842 0.0
Bi1 Bi+3 0.7255 0.8612 0.4314 0.09 0.0
Bi3 Bi+3 0.1267 0.2688 0.3231 0.181 0.0
O1 O-2 0 0 0.3135 1 0.0
O6 O-2 0.501 0.752 0.1293 1 0.0
O9 O-2 0.826 0.924 0.0437 1 0.0
O4 O-2 0.76 0.763 0.1256 1 0.0
Bi2 Bi+3 0.6167 0.8259 0.2345 0.159 0.0
Ca1 Ca+2 0.7255 0.8612 0.4314 0.91 0.0
O5 O-2 0.725 0.016 0.1127 1 0.0
Ca3 Ca+2 0.1267 0.2688 0.3231 0.819 0.0
O2 O-2 0.015 0.854 0.2556 1 0.0
Ca4 Ca+2 0 0 0 0.207 0.0
O3 O-2 0.739 0.918 0.1807 1 0.0
O8 O-2 0.569 0.683 0.0538 1 0.0
O10 O-2 0.629 0.823 0.9918 1 0.0
O7 O-2 0.596 0.961 0.0464 1 0.0
Cd1 Cd+2 0 0 0 0.793 0.0
V3 V+4 0.6535 0.8484 0.032 1 0.0
