data_global
_amcsd_formula_title 'Cs O40 P8 W8'
loop_
_publ_author_name
'Goreaud M'
'Labbe P'
'Raveau B'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 56 
_journal_year 1985
_journal_page_first 41
_journal_page_last 48
_publ_section_title
;
 Cs P8 W8 O40: A diphosphate tungsten bronze with octagonal tunnels
 _cod_database_code 1001331
;
_database_code_amcsd 0013534
_chemical_formula_sum 'Cs.25 W2 P2 O10'
_cell_length_a 13.061
_cell_length_b 12.319
_cell_length_c 5.2960
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 852.118
_exptl_crystal_density_diffrn      4.855
_symmetry_space_group_name_H-M 'P c m n'
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
_atom_site_occupancy
Cs1   0.29820   0.75000   0.24500   0.25000
W1   0.15299   0.10007   0.25565   1.00000
P1   0.01997   0.62987   0.23380   1.00000
O1   0.26000   0.41890   0.48550   1.00000
O2   0.05380   0.38500   0.55200   1.00000
O3   0.02820   0.38180   0.02500   1.00000
O4   0.16840   0.25000   0.25500   1.00000
O5   0.11550   0.56160   0.26000   1.00000
O6   0.06540   0.75000   0.25300   1.00000
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 0.01580 0.12400 0.02600 0.00000 0.00300 0.00000
W1 0.00340 0.00316 0.00336 -0.00021 -0.00020 0.00008
P1 0.00450 0.00380 0.00450 0.00070 0.00030 0.00100
O1 0.00600 0.00800 0.00600 -0.00070 0.00200 0.00100
O2 0.01100 0.01200 0.01400 -0.00020 -0.00800 0.00200
O3 0.00800 0.01600 0.00800 -0.00010 0.00400 -0.00200
O4 0.00800 0.00600 0.00000 0.00000 -0.00300 0.00000
O5 0.00700 0.00600 0.01100 0.00210 0.00100 0.00100
O6 0.00900 0.00500 0.01400 0.00000 -0.00400 0.00000