#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/34/1533442.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_1533442
loop_
_publ_author_name
'Graetsch, H.A.'
_publ_section_title
;
 Thermal expansion and thermally induced variations of the crystal
 structure of Al P O4 low crystobalite
;
_journal_name_full
;
Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-)
;
_journal_page_first              289
_journal_page_last               301
_journal_volume                  2003
_journal_year                    2003
_chemical_formula_sum            'Al O4 P'
_chemical_name_systematic        'Al (P O4)'
_space_group_IT_number           20
_symmetry_space_group_name_Hall  'C 2c 2'
_symmetry_space_group_name_H-M   'C 2 2 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.1023
_cell_length_b                   7.0956
_cell_length_c                   7.0146
_cell_volume                     353.501
_citation_journal_id_ASTM        NJMMAW
_cod_data_source_file            Graetsch_NJMMAW_2003_864.cif
_cod_data_source_block           Al1O4P1
_cod_original_cell_volume        353.5013
_cod_original_formula_sum        'Al1 O4 P1'
_cod_database_code               1533442
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
x,-y,-z
-x,y,-z+1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-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
P1 P+5 0.3001 0 0 1 0.0
O2 O-2 0.4239 0.163 0.9378 1 0.0
Al1 Al+3 0 0.2006 0.25 1 0.0
O1 O-2 0.1807 0.0593 0.1683 1 0.0