data_1001655
_chemical_name_systematic
;
Caesium phyllo-bis(phosphato)trioxodimolybdate
;
_chemical_formula_structural       'Cs (Mo2 O3 (P O4)2)'
_chemical_formula_sum              'Cs Mo2 O11 P2'
_publ_section_title
;
A mixed valent molybdenum monophosphate with a layer structure: Cs Mo2
O3 (P O4)2
;
loop_
_publ_author_name
  'Hoareau, T'
  'Leclaire, A'
  'Borel, M M'
  'Grandin, A'
  'Raveau, B'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    116
_journal_year                      1995
_journal_page_first                87
_journal_page_last                 91
_cell_length_a                     10.047(2)
_cell_length_b                     8.655(1)
_cell_length_c                     11.597(2)
_cell_angle_alpha                  90
_cell_angle_beta                   104.27(1)
_cell_angle_gamma                  90
_cell_volume                       977.3
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P 1 21/c 1'
_symmetry_Int_Tables_number        14
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,1/2+y,1/2-z'
  '-x,-y,-z'
  'x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Cs1+   1.000
  Mo5+   5.000
  Mo6+   6.000
  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
  Cs1   Cs1+   4 e 0.09345(8) 0.2362(1) 0.07226(7) 1.  0 d
  Mo1   Mo5+   4 e 0.38233(8) 0.2557(1) 0.38781(8) 1.  0 d
  Mo2   Mo6+   4 e 0.80420(9) 0.2240(1) 0.27332(9) 1.  0 d
  P1    P5+    4 e 0.4752(3) 0.0810(4) 0.1646(3) 1.  0 d
  P2    P5+    4 e 0.7077(3) 0.0863(4) 0.5121(3) 1.  0 d
  O1    O2-    4 e 0.2360(9) 0.346(1) 0.3225(8) 1.  0 d
  O2    O2-    4 e 0.3880(9) 0.120(1) 0.2509(8) 1.  0 d
  O3    O2-    4 e 0.5043(9) 0.405(1) 0.3313(9) 1.  0 d
  O4    O2-    4 e 0.2861(8) 0.083(1) 0.4504(8) 1.  0 d
  O5    O2-    4 e 0.397(1) 0.369(1) 0.5435(9) 1.  0 d
  O6    O2-    4 e 0.5659(9) 0.150(1) 0.4741(8) 1.  0 d
  O7    O2-    4 e 0.953(1) 0.134(1) 0.2752(9) 1.  0 d
  O8    O2-    4 e 0.846(1) 0.387(1) 0.358(1) 1.  0 d
  O9    O2-    4 e 0.6157(9) 0.158(1) 0.2001(8) 1.  0 d
  O10   O2-    4 e 0.7966(9) 0.318(1) 0.1161(9) 1.  0 d
  O11   O2-    4 e 0.7847(9) 0.094(1) 0.4120(8) 1.  0 d
_refine_ls_R_factor_all            0.037