#------------------------------------------------------------------------------
#$Date: 2016-11-15 03:21:03 +0100 (mar 15 de nov de 2016) $
#$Revision: 188434 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/45/1544551.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_1544551
loop_
_publ_author_name
'Pellicer-Porres, J.'
'Saitta, A.M.'
'Polian, A.'
'Itie, J.P.'
'Hanfland, M.'
_publ_section_title
;
 Six-fold-coordinated phosphours by oxygen in AlPO4 quartz homeotype under
 high pressure :Sample at 13.9 GPa
;
_journal_name_full               'Nature Materials'
_journal_page_first              698
_journal_page_last               702
_journal_volume                  6
_journal_year                    2007
_chemical_formula_sum            'Al O4 P'
_chemical_name_common            'AlPO4 CrVO4 structure @ 13.9 GPa'
_space_group_IT_number           63
_space_group_name_H-M_alt        'C m c m'
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.0365(7)
_cell_length_b                   7.2908(9)
_cell_length_c                   5.7491(9)
_cell_volume                     211.11(5)
_cod_data_source_file            AlPO4-Cmcm.cif
_cod_data_source_block           AlPO4_Cmcm
_cod_original_formula_sum        'Al P O4'
_cod_database_code               1544551
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
'-x, -y, z+1/2'
'x, y, -z+1/2'
'-x, y, -z+1/2'
'x, -y, z+1/2'
'x, -y, -z'
'-x, y, z'
'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+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'
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
Al 1.0 0.000000 0.000000 0.000000 Biso 1.000000 Al
P 1.0 0.000000 0.3504(7) 0.250000 Biso 1.000000 P
O1 1.0 0.2490(10) 0.9794(7) 0.250000 Biso 1.000000 O
O2 1.0 0.000000 0.7519(8) 0.9690(10) Biso 1.000000 O
