#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/81/1528107.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_1528107
loop_
_publ_author_name
'Synecek, V.'
'Zak, L.'
_publ_section_title
;
 The crystal structure of Kettnerite, Ca Bi O F C O3
;
_journal_name_full               'Czechoslovak Journal of Physics'
_journal_page_first              195
_journal_page_last               207
_journal_volume                  10
_journal_year                    1960
_chemical_formula_sum            'Bi Ca F O'
_chemical_name_systematic        'Ca Bi O F (C O3)'
_space_group_IT_number           67
_symmetry_space_group_name_Hall  '-C 2a 2'
_symmetry_space_group_name_H-M   'C m m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.36
_cell_length_b                   5.36
_cell_length_c                   13.59
_cell_volume                     390.435
_citation_journal_id_ASTM        CZYPAO
_cod_data_source_file            Synecek_CZYPAO_1960_1601.cif
_cod_data_source_block           Bi1Ca1F1O1
_cod_original_cell_volume        390.4353
_cod_original_formula_sum        'Bi1 Ca1 F1 O1'
_cod_database_code               1528107
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z
x,-y,-z
-x+1/2,y,-z
-x,-y,-z
x-1/2,y,-z
-x,y,z
x-1/2,-y,z
x+1/2,y+1/2,z
-x+1,-y+1/2,z
x+1/2,-y+1/2,-z
-x+1,y+1/2,-z
-x+1/2,-y+1/2,-z
x,y+1/2,-z
-x+1/2,y+1/2,z
x,-y+1/2,z
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
O1 O-2 0.25 0 0 1 0.0
Bi1 Bi+3 0 0.25 0.0949 1 0.0
F1 F-1 0.25 0 0.5 1 0.0
Ca1 Ca+2 0 0.25 0.4006 1 0.0
