#------------------------------------------------------------------------------
#$Date: 2016-03-02 09:51:31 +0200 (Wed, 02 Mar 2016) $
#$Revision: 177123 $
#$URL: svn://www.crystallography.net/cod/cif/5/91/02/5910215.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_5910215
loop_
_publ_author_name
'Wyckoff, R. W. G.'
_publ_section_title
;
Page 37 & 38 from the Structure of Crystals, vol. 3 by Wyckoff R W G. 
published by Interscience Publishers, Inc. in 1951 
;
_journal_name_full               'The Structure of Crystals'
_journal_page_first              37
_journal_page_last               38
_journal_volume                  3
_journal_year                    1951
_chemical_formula_structural     CuCrO4
_chemical_formula_sum            'Cr Cu O4'
_space_group_IT_number           63
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_audit_creation_date             2006-02-07
_audit_creation_method
;
Page 37 & 38 from the Structure of Crystals, vol. 3 by Wyckoff R W G. 
published by Interscience Publishers, Inc. in 1951 
;
_audit_update_record
'created by Girish Upreti, Portland State University'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.426
_cell_length_b                   8.925
_cell_length_c                   5.878
_cell_volume                     284.654
_cod_original_formula_sum        'Cu Cr O4'
_cod_database_code               5910215
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,-z
-x,y,-z+1/2
-x,-y,z+1/2
-x,-y,-z
-x,y,z
x,-y,z+1/2
x,y,-z+1/2
x+1/2,y+1/2,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,z+1/2
-x+1/2,-y+1/2,-z
-x+1/2,y+1/2,z
x+1/2,-y+1/2,z+1/2
x+1/2,y+1/2,-z+1/2
loop_
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_label
0.00000 0.36000 0.25000 Cu1
0.50000 0.86000 0.25000 Cu2
0.00000 -0.36000 -0.25000 Cu3
-0.50000 -0.86000 -0.25000 Cu4
0.00000 0.35300 0.25000 Cr1
0.50000 0.85300 0.25000 Cr2
0.00000 -0.35300 -0.25000 Cr3
0.50000 -0.85300 -0.25000 Cr4
0.00000 0.24000 0.03000 O1
0.00000 0.24000 0.47000 O2
0.50000 0.74000 0.03000 O3
0.50000 0.74000 0.47000 O4
0.00000 -0.24000 -0.03000 O5
0.00000 -0.24000 -0.47000 O6
-0.50000 -0.74000 -0.03000 O7
-0.50000 -0.74000 -0.47000 O8
0.26000 -0.02500 0.25000 O9
-0.26000 -0.02500 0.25000 O10
0.76000 0.47500 0.25000 O11
0.24000 0.47500 0.25000 O12
-0.26000 0.02500 -0.25000 O13
0.26000 0.02500 -0.25000 O14
-0.76000 -0.47500 -0.25000 O15
-0.24000 -0.47500 -0.25000 O16
