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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/1/53/29/1532950.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_1532950
loop_
_publ_author_name
'Moyer, R.O.jr.'
'Toby, B.H.'
_publ_section_title
;
 Ca2 Ir D5: an order-disorder transition
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              99
_journal_page_last               103
_journal_volume                  363
_journal_year                    2004
_chemical_formula_sum            'Ca2 D5.12 Ir'
_chemical_name_systematic        'Ca2 Ir D5.12'
_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                   7.2479
_cell_length_b                   7.2479
_cell_length_c                   7.2479
_cell_volume                     380.747
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Moyer_JALCEU_2004_1341.cif
_cod_data_source_block           D5.12Ca2Ir1
_cod_original_cell_volume        380.7471
_cod_original_formula_sum        'D5.12 Ca2 Ir1'
_cod_database_code               1532950
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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
D1 D 0 0 0.2348 0.854 0.0
Ir1 Ir 0 0 0 1 0.0
Ca1 Ca 0.25 0.25 0.25 1 0.0
