data_global
_amcsd_formula_title 'CsSb2PO8'
loop_
_publ_author_name
'Crosnier M'
'Guyomard D'
'Verbaere A'
'Piffard Y'
_journal_name_full 'European Journal of Solid State and Inorganic Chemistry'
_journal_volume 26 
_journal_year 1989
_journal_page_first 529
_journal_page_last 538
_publ_section_title
;
 Preparation and crystal structure of CsSb2PO8
 _cod_database_code 1000281
;
_database_code_amcsd 0012529
_chemical_formula_sum 'Cs Sb2 P O8'
_cell_length_a 18.165
_cell_length_b 7.154
_cell_length_c 13.677
_cell_angle_alpha 90
_cell_angle_beta 120.42
_cell_angle_gamma 90
_cell_volume 1532.683
_exptl_crystal_density_diffrn      4.640
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cs1   0.13606   0.00000   0.41426
Cs2   0.88973   0.00000   0.07220
Sb1   0.29432   0.24897   0.26932
Sb2   0.54917   0.00000   0.76370
Sb3   0.62668   0.00000   0.26998
P1   0.65870   0.00000   0.06210
P2   0.60733   0.00000   0.49590
O1   0.38160   0.20690   0.23000
O2   0.51290   0.00000   0.40730
O3   0.59640   0.00000   0.10650
O4   0.24840   0.00000   0.22610
O5   0.71560   0.17580   0.10430
O6   0.83880   0.00000   0.30960
O7   0.66230   0.00000   0.43950
O8   0.70630   0.20340   0.30740
O9   0.53490   0.17890   0.24020
O10   0.37270   0.17680   0.43190
O11   0.38920   0.00000   0.06470
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
Cs1 0.02580 0.01300 0.01700 0.00000 0.00970 0.00000
Cs2 0.04210 0.01480 0.02000 0.00000 0.01550 0.00000
Sb1 0.00465 0.00460 0.00329 0.00050 0.00209 0.00033
Sb2 0.00340 0.00600 0.00219 0.00000 0.00137 0.00000
Sb3 0.00380 0.00680 0.00334 0.00000 0.00206 0.00000
P1 0.00560 0.00780 0.00150 0.00000 0.00070 0.00000
P2 0.00510 0.00770 0.00250 0.00000 0.00170 0.00000
O1 0.00800 0.00900 0.01210 0.00200 0.00700 0.00020
O2 0.00700 0.01600 0.00400 0.00000 0.00410 0.00000
O3 0.00900 0.01500 0.00500 0.00000 0.00330 0.00000
O4 0.01000 0.00500 0.01200 0.00000 0.00400 0.00000
O5 0.01200 0.00900 0.00650 -0.00300 0.00430 -0.00100
O6 0.00700 0.00600 0.01000 0.00000 0.00400 0.00000
O7 0.00700 0.02100 0.00500 0.00000 0.00270 0.00000
O8 0.00870 0.01100 0.01040 -0.00300 0.00670 -0.00300
O9 0.00840 0.00800 0.01040 0.00000 0.00610 0.00100
O10 0.01100 0.00500 0.00630 0.00100 0.00300 0.01600
O11 0.01100 0.02400 0.00400 0.00000 0.00100 0.00000