#------------------------------------------------------------------------------
#$Date: 2016-10-24 04:08:45 +0300 (Mon, 24 Oct 2016) $
#$Revision: 187513 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/43/1544344.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_1544344
loop_
_publ_author_name
'Attfield, J.P.'
'Sleight, A.W.'
'Cheetham, A.K.'
_publ_section_title
;
 Structure determination of alpha-CrPO4 from powder synchrotron X-ray data
;
_journal_name_full               Nature
_journal_page_first              620
_journal_page_last               622
_journal_volume                  322
_journal_year                    1986
_chemical_formula_sum            'Cr O4 P'
_chemical_name_common            'alpha-CrPO4, J. P. Attfield et al., Na'
_space_group_IT_number           74
_space_group_name_H-M_alt        'I m m a'
_symmetry_space_group_name_Hall  '-I 2b 2'
_symmetry_space_group_name_H-M   'I m m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   10.40583(11)
_cell_length_b                   12.89952(11)
_cell_length_c                   6.29933(6)
_cell_volume                     845.560(14)
_cod_data_source_file            CrPO4-alpha.cif
_cod_data_source_block           CrPO4-alpha
_cod_original_formula_sum        'O4 P Cr'
_cod_database_code               1544344
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
'-x, -y+1/2, z'
'x, y+1/2, -z'
'-x, y+1/2, -z'
'x, -y+1/2, z'
'x, -y, -z'
'-x, y, z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, -z+1/2'
'-x+1/2, -y, z+1/2'
'x+1/2, y, -z+1/2'
'-x+1/2, y, -z+1/2'
'x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'-x+1/2, y+1/2, z+1/2'
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_B_iso_or_equiv
_atom_site_type_symbol
Cr1 1.0 0.500000 0.500000 0.000000 Biso 0.570000 Cr
Cr2 1.0 0.250000 0.3659(4) 0.250000 Biso 0.570000 Cr
P1 1.0 0.500000 0.250000 0.0801(13) Biso 0.570000 P
P2 1.0 0.250000 0.5740(5) 0.250000 Biso 0.570000 P
O1 1.0 0.3800(11) 0.250000 0.2275(17) Biso 0.570000 O
O2 1.0 0.3601(7) 0.4912(7) 0.2155(13) Biso 0.570000 O
O3 1.0 0.2259(7) 0.6353(7) 0.0576(10) Biso 0.570000 O
O4 1.0 0.500000 0.3507(8) -0.0468(16) Biso 0.570000 O
