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 = 183 C
;
_database_code_amcsd 0007988
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Al P O4'
_cell_length_a 4.9580
_cell_length_b 4.9580
_cell_length_c 10.967
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 233.470
_exptl_crystal_density_diffrn      2.602
_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   0.46847   0.00000   0.33333   0.01170
P   0.46921   0.00000   0.83333   0.01170
O1   0.41669   0.28767   0.26786   0.02210
O2   0.41639   0.25352   0.78127   0.02210
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 0.01313 0.00996 0.01078 0.00498 0.00021 0.00043
P 0.01327 0.00953 0.01115 0.00476 0.00020 0.00041
O1 0.03020 0.02100 0.02035 0.01670 0.00453 0.00773
O2 0.02995 0.02049 0.02236 0.01737 0.00689 0.00892