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#$Date: 2015-09-08 22:38:43 +0300 (Tue, 08 Sep 2015) $
#$Revision: 155319 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/02/1530251.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_1530251
loop_
_publ_author_name
'Laval, J.P.'
'Mikou, A.'
'Frit, B.'
'Pannetier, J.'
_publ_section_title
;
 Neutron diffraction study of the anion-excess fluoriterelated Ca1-x Thx
 F2+2x solid solution
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              359
_journal_page_last               368
_journal_volume                  61
_journal_year                    1986
_chemical_formula_sum            'Ca0.875 F2.25 Th0.125'
_chemical_name_systematic        'Ca.875 Th.125 F2.25'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.555
_cell_length_b                   5.555
_cell_length_c                   5.555
_cell_volume                     171.416
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Laval_JSSCBI_1986_1297.cif
_cod_data_source_block           Ca0.875F2.25Th0.125
_cod_original_cell_volume        171.4163
_cod_database_code               1530251
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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 0.302 0.302 0.302 0.036 0.0
F2 F-1 0.412 0.412 0.412 0.04 0.0
Th1 Th+4 0 0 0 0.125 0.0
Ca1 Ca+2 0 0 0 0.875 0.0
F1 F-1 0.25 0.25 0.25 0.81 0.0
