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 = 568 C
;
_database_code_amcsd 0007994
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Al P O4'
_cell_length_a 5.017
_cell_length_b 5.017
_cell_length_c 11.038
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 240.608
_exptl_crystal_density_diffrn      2.525
_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   0.48087   0.00000   0.33333   0.02330
P   0.48222   0.00000   0.83333   0.02400
O1   0.41927   0.26538   0.25905   0.05000
O2   0.42049   0.23108   0.77164   0.05100
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 0.02609 0.02132 0.02074 0.01066 0.00044 0.00087
P 0.02651 0.01942 0.02370 0.00971 0.00046 0.00092
O1 0.06020 0.04870 0.04919 0.03421 0.00204 0.02386
O2 0.05751 0.05380 0.05222 0.03602 0.01341 0.02899