data_1007007
_chemical_name_systematic          'CADMIUM CYCLO-TRIPHOSPHATE DECAHYDRATE'
_chemical_formula_structural       'CD3 (P3 O9)2 (H2 O)10'
_chemical_formula_sum              'H20 Cd3 O28 P6'
_publ_section_title                'Trimetaphosphate de cadmium decahydrate'
loop_
_publ_author_name
  'Averbuch-Pouchot, M T'
  'Durif, A'
  'Guitel, J C'
_journal_name_full                 'Acta Crystallographica B (24,1968-38,1982)'
_journal_coden_ASTM                ACBCAR
_journal_volume                    32
_journal_year                      1976
_journal_page_first                1894
_journal_page_last                 1896
_cell_length_a                     9.424(8)
_cell_length_b                     17.87(1)
_cell_length_c                     7.762(7)
_cell_angle_alpha                  90
_cell_angle_beta                   107.72(1)
_cell_angle_gamma                  90
_cell_volume                       1245.2
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P 1 21/n 1'
_symmetry_Int_Tables_number        14
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2+y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Cd2+   2.000
  P5+    5.000
  O2-   -2.000
  H1+    1.000
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 e 0.31953(4) 0.71958(2) 0.08657(5) 1.  0 d
  Cd2   Cd2+   2 c 0.5 0. 0. 1.  0 d
  P1    P5+    4 e 0.2986(1) 0.3117(1) 0.8186(2) 1.  0 d
  P2    P5+    4 e 0.0749(1) 0.3123(1) 0.0070(2) 1.  0 d
  P3    P5+    4 e 0.2025(1) 0.4521(1) 0.9480(2) 1.  0 d
  O1    O2-    4 e 0.1714(4) 0.2768(3) 0.8891(5) 1.  0 d
  O2    O2-    4 e 0.0662(4) 0.3984(2) 0.9507(5) 1.  0 d
  O3    O2-    4 e 0.3161(4) 0.3947(2) 0.9000(5) 1.  0 d
  O4    O2-    4 e 0.4384(4) 0.2698(2) 0.9055(6) 1.  0 d
  O5    O2-    4 e 0.2412(5) 0.3165(2) 0.6183(5) 1.  0 d
  O6    O2-    4 e 0.1609(6) 0.3070(3) 0.2016(6) 1.  0 d
  O7    O2-    4 e -0.0761(5) 0.2796(2) -0.0646(7) 1.  0 d
  O8    O2-    4 e 0.1445(5) 0.5073(2) 0.7995(6) 1.  0 d
  O9    O2-    4 e 0.2785(5) 0.4806(2) 0.1328(5) 1.  0 d
  O10   O2-    4 e 0.4114(5) 0.1182(2) 0.0414(6) 1.  2 d
  O11   O2-    4 e 0.1590(6) 0.1205(2) 0.2123(6) 1.  2 d
  O12   O2-    4 e 0.2004(5) 0.1400(2) 0.6446(6) 1.  2 d
  O13   O2-    4 e 0.4929(5) 0.3735(3) 0.3455(6) 1.  2 d
  O14   O2-    4 e 0.2007(5) 0.4521(3) 0.4433(5) 1.  2 d
  H1    H1+    4 e -1. -1. -1. 10.  0 dum
_refine_ls_R_factor_all            0.028