data_1007015
_chemical_name_systematic          'Cadmium caesium cyclo-triphosphate'
_chemical_formula_structural       'CD CS P3 O9'
_chemical_formula_sum              'Cd Cs O9 P3'
_publ_section_title
;
Structure cristalline du trimetaphosphate de cadmium caesium  Cd Cs
P~3~ O~9~
;
loop_
_publ_author_name
  'Averbuch-Pouchot, M T'
  'Durif, A'
_journal_name_full                 'Acta Crystallographica B (24,1968-38,1982)'
_journal_coden_ASTM                ACBCAR
_journal_volume                    33
_journal_year                      1977
_journal_page_first                3114
_journal_page_last                 3116
_cell_length_a                     7.508(1)
_cell_length_b                     12.684(2)
_cell_length_c                     9.530(2)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       907.6
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P m c n'
_symmetry_Int_Tables_number        62
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2-x,1/2-y,1/2+z'
  '1/2+x,-y,-z'
  '-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2+x,1/2+y,1/2-z'
  '1/2-x,y,z'
  'x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Cd2+   2.000
  Cs1+   1.000
  P5+    5.000
  O2-   -2.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Cd1   Cd2+   4 c 0.25 0.72113(4) 0.48572(6) 1.  0 d
  Cs1   Cs1+   4 c 0.25 0.08322(4) 0.11753(6) 1.  0 d
  P1    P5+    8 d 0.05193(18) 0.14885(12) 0.74665(12) 1.  0 d
  P2    P5+    4 c 0.25 0.95884(16) 0.70205(22) 1.  0 d
  O1    O2-    4 c 0.25 0.31801(50) 0.29322(66) 1.  0 d
  O2    O2-    8 d 0.08583(59) 0.03756(35) 0.67198(45) 1.  0 d
  O3    O2-    8 d 0.95073(68) 0.13140(36) 0.87650(51) 1.  0 d
  O4    O2-    8 d 0.98741(66) 0.22488(38) 0.64229(57) 1.  0 d
  O5    O2-    4 c 0.25 0.87655(56) 0.59414(74) 1.  0 d
  O6    O2-    4 c 0.25 0.93155(51) 0.85445(76) 1.  0 d
_refine_ls_R_factor_all            0.032