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 = 366 C
;
_database_code_amcsd 0007990
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Al P O4'
_cell_length_a 4.9799
_cell_length_b 4.9799
_cell_length_c 10.992
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 236.074
_exptl_crystal_density_diffrn      2.573
_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   0.47197   0.00000   0.33333   0.01570
P   0.47297   0.00000   0.83333   0.01600
O1   0.41817   0.28207   0.26579   0.03190
O2   0.41883   0.24777   0.77907   0.03180
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 0.01786 0.01297 0.01463 0.00648 0.00014 0.00029
P 0.01794 0.01274 0.01542 0.00637 0.00026 0.00053
O1 0.04261 0.02984 0.03005 0.02316 0.00488 0.01172
O2 0.04194 0.02942 0.03275 0.02447 0.00946 0.01441