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 = 275 C
;
_database_code_amcsd 0007989
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Al P O4'
_cell_length_a 4.9688
_cell_length_b 4.9688
_cell_length_c 10.979
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 234.745
_exptl_crystal_density_diffrn      2.588
_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   0.46968   0.00000   0.33333   0.01360
P   0.47062   0.00000   0.83333   0.01390
O1   0.41512   0.28383   0.26684   0.02650
O2   0.41522   0.24967   0.78012   0.02630
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 0.01556 0.01128 0.01258 0.00564 0.00012 0.00024
P 0.01567 0.01115 0.01331 0.00558 0.00025 0.00050
O1 0.03584 0.02555 0.02504 0.02054 0.00529 0.00931
O2 0.03542 0.02413 0.02675 0.02036 0.00833 0.01115