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#$Date: 2015-07-10 15:19:45 +0200 (vie 10 de jul de 2015) $
#$Revision: 142570 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/23/1522348.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_1522348
loop_
_publ_author_name
'Zou, Y.-Q.'
'Chen, L.'
'Gao, X.-Y.'
'Tang, D.-Y.'
'Luo, Z.-D.'
_publ_section_title
;
 Crystal structure of P4-21m phase Nd(3+): Gd2 (Mo O4)3
;
_journal_name_full               'Jiegon Huaxue'
_journal_page_first              447
_journal_page_last               450
_journal_volume                  18
_journal_year                    1999
_chemical_formula_sum            'Gd1.954 Mo3 Nd0.046 O12'
_chemical_name_systematic        '(Nd0.023 Gd0.977)2 (Mo O4)3'
_space_group_IT_number           113
_symmetry_space_group_name_Hall  'P -4 2ab'
_symmetry_space_group_name_H-M   'P -4 21 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.3556
_cell_length_b                   7.3556
_cell_length_c                   10.685
_cell_volume                     578.110
_citation_journal_id_ASTM        JHUADF
_cod_data_source_file            Zou_JHUADF_1999_117.cif
_cod_data_source_block           Gd1.954Mo3Nd0.046O12
_cod_original_cell_volume        578.1104
_cod_database_code               1522348
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x,-z
-x,-y,z
-y,x,-z
x+1/2,-y+1/2,-z
-y+1/2,-x+1/2,z
-x+1/2,y+1/2,-z
y+1/2,x+1/2,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
Gd1 Gd+3 0.18782 0.31218 0.23725 0.977 0.0
Nd1 Nd+3 0.18782 0.31218 0.23725 0.023 0.0
O1 O-2 0.1932 0.3068 0.0172 1 0.0
O4 O-2 0.274 0.5017 0.7996 1 0.0
Mo1 Mo+6 0.20632 0.29368 0.85722 1 0.0
O3 O-2 0.3724 0.1276 0.8113 1 0.0
Mo2 Mo+6 0.5 0.5 0.5 1 0.0
O2 O-2 0.3104 0.4568 0.4035 1 0.0
