#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/75/1537511.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_1537511
loop_
_publ_author_name
'Keve, E.T.'
'Abrahams, S.C.'
'Bernstein, J.L.'
_publ_section_title
;
 Ferroelectric Paraelastic Paramagnetic Barium Cobalt Fluoride, Ba Co F4,
 Crystal Structure
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              3279
_journal_page_last               3287
_journal_volume                  53
_journal_year                    1970
_chemical_formula_sum            'Ba Co F4'
_space_group_IT_number           36
_symmetry_space_group_name_Hall  'A -2 2a'
_symmetry_space_group_name_H-M   'A 21 a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.8519
_cell_length_b                   14.628
_cell_length_c                   4.2102
_cell_volume                     360.400
_citation_journal_id_ASTM        JCPSA6
_cod_data_source_file            Keve_JCPSA6_1970_1067.cif
_cod_data_source_block           Ba1Co1F4
_cod_original_cell_volume        360.3998
_cod_original_sg_symbol_Hall     'C 2c -2 (z,y,-x)'
_cod_original_formula_sum        'Ba1 Co1 F4'
_cod_database_code               1537511
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x+1/2,-y,-z
x,y,-z
x+1/2,-y,z
x,y+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
x,y+1/2,-z+1/2
x+1/2,-y+1/2,z+1/2
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
F3 F-1 0.3207 0.4718 0 1 0.0
Co1 Co+2 0 0.41274 0 1 0.0
F4 F-1 0.0112 0.4206 0.5 1 0.0
F2 F-1 -0.2729 0.3336 0 1 0.0
F1 F-1 0.1981 0.3018 0 1 0.0
Ba1 Ba+2 0.4605 0.35216 0.5 1 0.0
