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 = 486 C
;
_database_code_amcsd 0007992
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Al P O4'
_cell_length_a 5.000
_cell_length_b 5.000
_cell_length_c 11.016
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 238.503
_exptl_crystal_density_diffrn      2.547
_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   0.47594   0.00000   0.33333   0.01930
P   0.47691   0.00000   0.83333   0.01990
O1   0.41835   0.27419   0.26318   0.04070
O2   0.41923   0.23986   0.77613   0.04080
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 0.02227 0.01584 0.01758 0.00792 0.00000 0.00000
P 0.02258 0.01594 0.01900 0.00797 0.00023 0.00046
O1 0.05013 0.04023 0.03971 0.02858 0.00580 0.01781
O2 0.05123 0.03980 0.04377 0.03194 0.01189 0.02114