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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/4/34/41/4344194.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_4344194
loop_
_publ_author_name
'Brandle, C.D.'
'Steinfink, H.'
_publ_section_title
;
 Phase Transitions in Ordered Barium-Rare Earth-Molybdenum Perovskites
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              922
_journal_page_last               926
_journal_volume                  10
_journal_year                    1971
_chemical_formula_sum            'Ba2 Mo Nd O6'
_chemical_name_systematic        'Ba2 Nd Mo O6'
_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                   8.518
_cell_length_b                   8.518
_cell_length_c                   8.518
_cell_volume                     618.035
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Brandle_INOCAJ_1971_1173.cif
_cod_data_source_block           Ba2Mo1Nd1O6
_cod_original_cell_volume        618.0347
_cod_original_formula_sum        'Ba2 Mo1 Nd1 O6'
_cod_database_code               4344194
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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
O1 O-2 0.282 0 0 1 0.0
Mo1 Mo+5 0.5 0.5 0.5 1 0.0
Ba1 Ba+2 0.25 0.25 0.25 1 0.0
Nd1 Nd+3 0 0 0 1 0.0
