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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/02/1530254.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_1530254
loop_
_publ_author_name
'Laval, J.P.'
'Frit, B.'
'Lucas, J.'
_publ_section_title
;
 Crystal structure of the beta Ba Zr2 F10 compound. Relations with the Re
 O3-type and the fluorozirconate glasses
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              181
_journal_page_last               192
_journal_volume                  72
_journal_year                    1988
_chemical_formula_sum            'Ba F10 Zr2'
_chemical_name_systematic        'Ba Zr2 F10'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 112.98
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.064
_cell_length_b                   15.383
_cell_length_c                   9.057
_cell_volume                     777.813
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Laval_JSSCBI_1988_1572.cif
_cod_data_source_block           Ba1F10Zr2
_cod_original_cell_volume        777.8127
_cod_original_formula_sum        'Ba1 F10 Zr2'
_cod_database_code               1530254
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
F3 F-1 0 0.951 0.25 1 0.0
F6 F-1 0.283 0.312 0.257 1 0.0
F1 F-1 0.333 0.046 0.431 1 0.0
F2 F-1 0 0.445 0.25 1 0.0
F4 F-1 0.221 0.112 0.07 1 0.0
Zr1 Zr+4 0.17 0.4057 0.1013 1 0.0
F5 F-1 0.45 0.197 0.517 1 0.0
Ba1 Ba+2 0 0.1729 0.25 1 0.0
