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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/01/1530187.cif $
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#
# 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_1530187
loop_
_publ_author_name
'Kodama, N.'
'Tanaka, K.'
'Utsunomiya, T.'
'Hoshino, Y.'
'Marumo, F.'
'Ishizawa, N.'
'Kato, M.'
_publ_section_title
;
 An X-ray diffraction study of anharmonic thermal vibrations in the ionic
 conductor, barium chloride fluoride Ba Cl F
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              17
_journal_page_last               24
_journal_volume                  14
_journal_year                    1984
_chemical_formula_sum            'Ba Cl F'
_chemical_name_systematic        'Ba Cl F'
_space_group_IT_number           129
_symmetry_space_group_name_Hall  '-P 4a 2a'
_symmetry_space_group_name_H-M   'P 4/n m m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.4158
_cell_length_b                   4.4158
_cell_length_c                   7.248
_cell_volume                     141.331
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            Kodama_SSIOD3_1984_1008.cif
_cod_data_source_block           Ba1Cl1F1
_cod_original_cell_volume        141.3309
_cod_original_formula_sum        'Ba1 Cl1 F1'
_cod_database_code               1530187
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x,z
-x+1/2,-y+1/2,z
y,-x+1/2,z
x+1/2,-y,-z
y+1/2,x+1/2,-z
-x,y+1/2,-z
-y,-x,-z
-x,-y,-z
y-1/2,-x,-z
x-1/2,y-1/2,-z
-y,x-1/2,-z
-x-1/2,y,z
-y-1/2,-x-1/2,z
x,-y-1/2,z
y,x,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
Cl1 Cl-1 0.25 0.25 0.6491 1 0.0
F1 F-1 0.75 0.25 0 1 0.0
Ba1 Ba+2 0.25 0.25 0.20445 1 0.0