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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/1/53/43/1534336.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_1534336
loop_
_publ_author_name
'Brusset, H.'
'Berdot, J.L.'
'Gillier-Pandraud, H.'
_publ_section_title
;
 Structure cristalline du gallate de neodyme Nd Ga O3
;
_journal_name_full
'Bulletin de la Societe Chimique de France (Vol=Year)'
_journal_page_first              2886
_journal_page_last               2890
_journal_volume                  1967
_journal_year                    1967
_chemical_formula_sum            'Ga Nd O3'
_chemical_name_systematic        'Nd (Ga O3)'
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P 2c -2ab'
_symmetry_space_group_name_H-M   'P b n 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.44
_cell_length_b                   5.5
_cell_length_c                   7.71
_cell_volume                     230.683
_citation_journal_id_ASTM        BSCFAS
_cod_data_source_file            Brusset_BSCFAS_1967_322.cif
_cod_data_source_block           Ga1Nd1O3
_cod_original_cell_volume        230.6832
_cod_original_sg_symbol_Hall     'P 2c -2n (y,-x,z)'
_cod_original_formula_sum        'Ga1 Nd1 O3'
_cod_database_code               1534336
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
x+1/2,-y+1/2,z+1/2
-x+1/2,y+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
Ga1 Ga+3 0.5076 0.0429 0.2497 1 0.0
O2 O-2 0.274 0.308 0.317 1 0.0
Nd1 Nd+3 -0.0039 0.0013 0 1 0.0
O1 O-2 0.472 -0.039 0.031 1 0.0
O3 O-2 0.271 0.293 0.819 1 0.0
