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 = 458 C
;
_database_code_amcsd 0007991
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Al P O4'
_cell_length_a 4.9939
_cell_length_b 4.9939
_cell_length_c 11.010
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 237.792
_exptl_crystal_density_diffrn      2.555
_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   0.47471   0.00000   0.33333   0.01840
P   0.47573   0.00000   0.83333   0.01890
O1   0.41851   0.27687   0.26408   0.03830
O2   0.41907   0.24246   0.77708   0.03840
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 0.02104 0.01522 0.01695 0.00761 0.00010 0.00019
P 0.02135 0.01508 0.01812 0.00754 0.00027 0.00053
O1 0.04893 0.03700 0.03666 0.02743 0.00540 0.01554
O2 0.04891 0.03731 0.04035 0.03006 0.01189 0.01908