data_1008436
_chemical_name_systematic          'Caesium hydrogen molybdatodiphosphate'
_chemical_formula_structural       'Cs H ((Mo O2) (P2 O7))'
_chemical_formula_sum              'H Cs Mo O9 P2'
_publ_section_title
;
Synthesis and Crystal Structure of Cs H Mo O~2~ (P~2~ O~7~)
;
_publ_author_name                  'Averbuch-Pouchot, M T'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    79
_journal_year                      1989
_journal_page_first                296
_journal_page_last                 299
_cell_length_a                     9.670(5)
_cell_length_b                     14.231(10)
_cell_length_c                     6.265(5)
_cell_angle_alpha                  90
_cell_angle_beta                   100.10(7)
_cell_angle_gamma                  90
_cell_volume                       848.8
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P 1 21/a 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,-z'
  '-x,-y,-z'
  '1/2+x,1/2-y,z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Mo6+   6.000
  Cs1+   1.000
  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
  Mo1   Mo6+   4 e 0.71584(3) 0.46363(2) 0.29654(4) 1.  0 d
  Cs1   Cs1+   4 e 0.8272(3) 0.17081(2) 0.18713(5) 1.  0 d
  P1    P5+    4 e 0.51790(9) 0.12887(6) 0.6031(1) 1.  0 d
  P2    P5+    4 e 0.28471(9) 0.08906(6) 0.8137(1) 1.  0 d
  O1    O2-    4 e 0.9264(3) 0.4052(2) 0.4003(4) 1.  0 d
  O2    O2-    4 e 0.1662(3) 0.4061(2) 0.6486(4) 1.  0 d
  O3    O2-    4 e 0.5151(3) 0.2374(2) 0.5994(5) 1.  0 d
  O4    O2-    4 e 0.9492(3) 0.4022(2) 0.8065(4) 1.  0 d
  O5    O2-    4 e 0.7209(3) 0.4704(2) 0.6163(4) 1.  0 d
  O6    O2-    4 e 0.7252(3) 0.3155(2) 0.8232(5) 1.  0 d
  O7    O2-    4 e 0.2804(3) 0.0273(2) 0.0113(4) 1.  0 d
  O8    O2-    4 e 0.1528(3) 0.1479(2) 0.2610(5) 1.  0 d
  O9    O2-    4 e 0.4311(3) 0.4708(2) 0.7670(5) 1.  0 d
  H1    H1+    4 e 0.07(1) 0.235(8) 0.69(2) 1.  0 d
_refine_ls_R_factor_all            0.033