data_1001733
_chemical_name_systematic
;
Potassium molybdenum tungsten oxide phosphate(V) (6.6/2.3/3.7/15/4)
;
_chemical_formula_structural       'K6.595 ((Mo2.34 W3.66) O15 (P O4)4)'
_chemical_formula_sum              'K6.595 Mo2.34 O31 P4 W3.66'
_publ_section_title
;
A molybdenotungsten monophosphate with an opened structure K6.6 Mo2.36
W3.64 O15 (P O4)4
;
loop_
_publ_author_name
  'Leclaire, A'
  'Borel, M M'
  'Chardon, J'
  'Raveau, B'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    127
_journal_year                      1996
_journal_page_first                1
_journal_page_last                 8
_cell_length_a                     17.545(2)
_cell_length_b                     17.545(2)
_cell_length_c                     15.714(2)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       4189.1
_cell_formula_units_Z              6
_symmetry_space_group_name_H-M     'R -3 H'
_symmetry_Int_Tables_number        148
_symmetry_cell_setting             trigonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  '-x,-y,-z'
  'y,y-x,-z'
  'x-y,x,-z'
  '1/3+x,2/3+y,2/3+z'
  '2/3+x,1/3+y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-x,2/3-y,2/3-z'
  '2/3-x,1/3-y,1/3-z'
  '1/3+y,2/3-x+y,2/3-z'
  '2/3+y,1/3-x+y,1/3-z'
  '1/3+x-y,2/3+x,2/3-z'
  '2/3+x-y,1/3+x,1/3-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  W6+    6.000
  Mo6+   5.746
  P5+    5.000
  K1+    1.000
  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
  W1    W6+   18 f 0.46896(9) 0.17281(9) 0.00563(9) 0.74(2)  0 d
  Mo1   Mo6+  18 f 0.46896(9) 0.17281(9) 0.00563(9) 0.26(2)  0 d
  W2    W6+   18 f 0.2270(1) 0.2765(1) 0.1310(1) 0.48(2)  0 d
  Mo2   Mo6+  18 f 0.2270(1) 0.2765(1) 0.1310(1) 0.52(2)  0 d
  P1    P5+   18 f 0.1504(5) 0.4154(5) 0.1559(4) 1.  0 d
  P2    P5+    6 c 0.6667 0.3333 0.0522(9) 1.  0 d
  K1    K1+    3 a 0. 0. 0. 0.19(6)  0 d
  K2    K1+    3 b 0. 0. 0.5 1.  0 d
  K3    K1+   18 f 0.4633(5) 0.3873(5) 0.0230(4) 1.  0 d
  K4    K1+   18 f 0.166(2) 0.032(1) 0.098(1) 0.44(2)  0 d
  K5    K1+   18 f 0.214(1) 0.048(1) 0.095(1) 0.56(2)  0 d
  O1    O2-   18 f 0.452(1) 0.239(1) 0.077(1) 1.  0 d
  O2    O2-   18 f 0.600(1) 0.247(1) 0.013(1) 1.  0 d
  O3    O2-   18 f 0.470(1) 0.092(1) 0.082(1) 1.  0 d
  O4    O2-   18 f 0.354(1) 0.094(1) -0.029(1) 1.  0 d
  O5    O2-   18 f 0.479(1) 0.256(1) -0.094(1) 1.  0 d
  O6    O2-   18 f 0.513(1) 0.112(1) -0.083(1) 1.  0 d
  O7    O2-   18 f 0.143(1) 0.183(1) 0.083(1) 1.  0 d
  O8    O2-   18 f 0.310(1) 0.256(1) 0.126(1) 1.  0 d
  O9    O2-   18 f 0.314(1) 0.397(1) 0.198(1) 1.  0 d
  O10   O2-   18 f 0.134(1) 0.320(1) 0.147(1) 1.  0 d
  O11   O2-    6 c 0.6667 0.3333 0.147(3) 1.  0 d
_refine_ls_R_factor_all            0.051