#------------------------------------------------------------------------------
#$Date: 2024-05-02 12:48:35 +0200 (Thu 02 de May de 2024) $
#$Revision: 291455 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/64/9006405.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9006405
loop_
_publ_author_name
'Muraoka, Y.'
'Kihara, K.'
_publ_section_title
;
 The temperature dependence of the crystal structure of berlinite,
 a quartz-type form of AlPO4
 Sample: T = 92 C
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              243
_journal_page_last               253
_journal_paper_doi               10.1007/s002690050036
_journal_volume                  24
_journal_year                    1997
_chemical_formula_sum            'Al O4 P'
_chemical_name_mineral           Berlinite
_symmetry_space_group_name_H-M   'P 32 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.949
_cell_length_b                   4.949
_cell_length_c                   10.955
_cell_formula_units_Z            3
_cell_volume                     232.369
_database_code_amcsd             0007987
_diffrn_ambient_temperature      365.15
_exptl_crystal_density_diffrn    2.614
_cod_original_formula_sum        'Al P O4'
_cod_database_code               9006405
loop_
_space_group_symop_operation_xyz
x,y,z
y,x,1/3-z
-y,x-y,2/3+z
-x,-x+y,-z
-x+y,-x,1/3+z
x-y,-y,2/3-z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Al 0.01066 0.00802 0.00882 0.00401 0.00014 0.00029
P 0.01082 0.00781 0.00894 0.00390 0.00018 0.00036
O1 0.02405 0.01713 0.01617 0.01341 0.00392 0.00590
O2 0.02344 0.01610 0.01794 0.01354 0.00535 0.00671
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Al 0.46723 0.00000 0.33333 0.00950
P 0.46778 0.00000 0.83333 0.00950
O1 0.41642 0.28996 0.26852 0.01770
O2 0.41583 0.25543 0.78216 0.01750
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0007987
