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 = 612 C
;
_database_code_amcsd 0007998
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Al P O4'
_cell_length_a 5.0401
_cell_length_b 5.0401
_cell_length_c 11.063
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 243.378
_exptl_crystal_density_diffrn      2.496
_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   0.03000
P   0.50000   0.00000   0.83333   0.03000
O   0.42024   0.22883   0.24458   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 0.03509 0.02473 0.02517 0.01236 0.00000 0.00000
P 0.03313 0.02817 0.02648 0.01409 0.00000 0.00000
O 0.06746 0.06929 0.07062 0.03548 -0.00685 0.03640