data_global
_amcsd_formula_title 'AsPO4'
loop_
_publ_author_name
'Bodenstein D'
'Brehm A'
'Jones P G'
'Schwarzmann E'
'Sheldrick G M'
_journal_name_full 'Zeitschrift fur Naturforschung'
_journal_volume B37 
_journal_year 1982
_journal_page_first 136
_journal_page_last 137
_publ_section_title
;
 Preparation and crystal structure of arsenic(III) phosphorus(V) oxide, AsPO4
;
_database_code_amcsd 0015836
_chemical_formula_sum 'As P O4'
_cell_length_a 8.4315
_cell_length_b 5.0229
_cell_length_c 7.2039
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 305.089
_exptl_crystal_density_diffrn      3.699
_symmetry_space_group_name_H-M 'P n m a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '1/2+x,y,1/2-z'
  '1/2-x,-y,1/2+z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
As   0.24440   0.25000  -0.19640
P   0.08250   0.25000   0.18370
O1   0.10470   0.00320   0.31280
O2   0.23100   0.25000   0.05220
O3  -0.07380   0.25000   0.09130
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
As 0.01140 0.01080 0.01170 0.00000 -0.00140 0.00000
P 0.01010 0.00790 0.01120 0.00000 -0.00010 0.00000
O1 0.01490 0.00990 0.01650 0.00300 0.00230 0.00240
O2 0.01060 0.01620 0.01250 0.00000 0.00220 0.00000
O3 0.01300 0.01780 0.01770 0.00000 -0.00230 0.00000