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 = 598 C
;
_database_code_amcsd 0007997
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Al P O4'
_cell_length_a 5.040
_cell_length_b 5.040
_cell_length_c 11.061
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 243.325
_exptl_crystal_density_diffrn      2.497
_symmetry_space_group_name_H-M 'P 62 2 2'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,x-y,-z'
  'x-y,x,1/3+z'
  'y,x,1/3-z'
  '-y,x-y,2/3+z'
  '-x+y,y,2/3-z'
  '-x,-y,z'
  '-x,-x+y,-z'
  '-x+y,-x,1/3+z'
  '-y,-x,1/3-z'
  'y,-x+y,2/3+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   0.50000   0.00000   0.33333   0.02900
P   0.50000   0.00000   0.83333   0.02900
O   0.41998   0.22798   0.24406   0.06800
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 0.03406 0.02731 0.02355 0.01366 0.00000 0.00000
P 0.03301 0.02483 0.02628 0.01242 0.00000 0.00000
O 0.06677 0.06882 0.06954 0.03407 -0.00890 0.03610