#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/40/1534092.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_1534092
loop_
_publ_author_name
'von Schnering, H.G.'
'Kolloch, B.'
'Kolodziejczyk, A.'
_publ_section_title
;
 Structure of ternary copper(II) and chromium(II) fluorides
;
_journal_name_full               'Angewandte Chemie (German Edition)'
_journal_page_first              440
_journal_page_last               440
_journal_volume                  83
_journal_year                    1971
_chemical_formula_sum            'Ba Cu F4'
_space_group_IT_number           36
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.476
_cell_length_b                   13.972
_cell_length_c                   5.551
_cell_volume                     347.152
_citation_journal_id_ASTM        ANCEAD
_cod_data_source_file            vonSchnering_ANCEAD_1971_1551.cif
_cod_data_source_block           Ba1Cu1F4
_cod_original_cell_volume        347.1522
_cod_original_formula_sum        'Ba1 Cu1 F4'
_cod_database_code               1534092
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
-x,y,z
x,-y,z+1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z+1/2
-x+1/2,y+1/2,z
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
F4 F-1 0 0.9321 0.035 1 0.0
F1 F-1 0 0.4812 0.3365 1 0.0
F2 F-1 0 0.302 0.2427 1 0.0
F3 F-1 0 0.3291 -0.245 1 0.0
Ba1 Ba+2 0 0.137 0 1 0.0
Cu1 Cu+2 0 0.4074 0.0239 1 0.0
