data_global
_chemical_name_mineral 'Berlinite'
loop_
_publ_author_name
'Muraoka Y'
'Kihara K'
_journal_name_full 'Physics and Chemistry of Minerals'
_journal_volume 24 
_journal_year 1997
_journal_page_first 243
_journal_page_last 253
_publ_section_title
;
 The temperature dependence of the crystal structure of berlinite,
 a quartz-type form of AlPO4
 Sample: T = 92 C
;
_database_code_amcsd 0007987
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Al P O4'
_cell_length_a 4.949
_cell_length_b 4.949
_cell_length_c 10.955
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 232.369
_exptl_crystal_density_diffrn      2.614
_symmetry_space_group_name_H-M 'P 32 2 1'
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_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_
_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