#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1007020.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1007020
_chemical_name_systematic          'Tripotassium molybdate tetraoxorhenate(VII)'
_chemical_formula_structural       'K3 (MO O4) (RE O4)'
_chemical_formula_sum              'K3 Mo O8 Re'
_publ_section_title
;
Structure cristalline du molybdo-perrhenate de potassium  K~3~ (Mo
O~4~) (Re O~4~)
;
loop_
_publ_author_name
  'Silvestre, J P'
  'Durif, A'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    24
_journal_year                      1978
_journal_page_first                97
_journal_page_last                 100
_cell_length_a                     10.49(1)
_cell_length_b                     6.059(5)
_cell_length_c                     7.892(5)
_cell_angle_alpha                  90
_cell_angle_beta                   116.28(5)
_cell_angle_gamma                  90
_cell_volume                       449.8
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'C 1 2/m 1'
_symmetry_Int_Tables_number        12
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,-y,z'
  '-x,-y,-z'
  '-x,y,-z'
  '1/2+x,1/2+y,z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2-y,-z'
  '1/2-x,1/2+y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Mo6+   6.000
  Re7+   7.000
  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
  Mo1   Mo6+   4 i 0.09773(5) 0. 0.29334(9) 0.5  0 d
  Re1   Re7+   4 i 0.09773(5) 0. 0.29334(9) 0.5  0 d
  K1    K1+    2 d 0.5 0. 0.5 1.  0 d
  K2    K1+    4 i 0.69645(24) 0. 0.08856(31) 1.  0 d
  O1    O2-    4 i 0.17397(127) 0. 0.53622(94) 1.  0 d
  O2    O2-    8 j 0.49013(65) 0.26528(99) 0.20367(122) 1.  0 d
  O3    O2-    4 i 0.22493(90) 0. 0.20331(156) 1.  0 d
_refine_ls_R_factor_all            0.064