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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/1/53/69/1536906.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_1536906
loop_
_publ_author_name
'Zaitseva, Z.A.'
'Litvin, A.L.'
_publ_section_title
;
 Specification of crystal structure of Neodymium and Gadolinium chromites
;
_journal_name_full
;
Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya B: Geologichni, Khimichni ta 
Biologichni Nauki
;
_journal_page_first              9994
_journal_page_last               9997
_journal_volume                  1978
_journal_year                    1978
_chemical_formula_sum            'Cr Nd O3'
_chemical_name_systematic        'Nd Cr O3'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.382
_cell_length_b                   5.481
_cell_length_c                   7.685
_cell_volume                     226.698
_citation_journal_id_ASTM        DANND6
_cod_data_source_file            Zaitseva_DANND6_1978_469.cif
_cod_data_source_block           Cr1Nd1O3
_cod_original_cell_volume        226.6978
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,x,y)'
_cod_original_formula_sum        'Cr1 Nd1 O3'
_cod_database_code               1536906
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x,-y,z+1/2
-x,-y,-z
-x-1/2,y-1/2,z
x-1/2,-y-1/2,z-1/2
x,y,-z-1/2
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 0.0821 0.4809 0.25 1 0.0
O2 O-2 0.7079 0.2893 0.047 1 0.0
Cr1 Cr+3 0 0.5 0 1 0.0
Nd1 Nd+3 0.9901 0.0457 0.25 1 0.0
