#------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/11/1001198.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_1001198
_chemical_name_systematic          'RUBIDIUM TUNGSTEN OXIDE (21.8/32.7/108)'
_chemical_formula_structural       'RB21.79 W32.74 O108'
_chemical_formula_sum              'O108 Rb21.79 W32.74'
_publ_section_title
;
Le tungstate de rubidium Rb~20+x~ (W~4~ O~6~)~1/3-x/12~ W~32~ O~108~ :
pyrochlore a reseau hote deficitaire
;
loop_
_publ_author_name
  'Goreaud, M'
  'Desgardin, G'
  'Raveau, B'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    27
_journal_year                      1979
_journal_page_first                145
_journal_page_last                 151
_cell_length_a                     15.966
_cell_length_b                     15.966
_cell_length_c                     10.099
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       2574.4
_cell_formula_units_Z              1
_symmetry_space_group_name_H-M     'I -4'
_symmetry_Int_Tables_number        82
_symmetry_cell_setting             tetragonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  'y,-x,-z'
  '-y,x,-z'
  '1/2+x,1/2+y,1/2+z'
  '1/2-x,1/2-y,1/2+z'
  '1/2+y,1/2-x,1/2-z'
  '1/2-y,1/2+x,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  W6+    5.930
  Rb1+   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+    8 g 0.13072(10) 0.18242(10) 0.3530(2) 1.  0 d
  W2    W6+    8 g 0.27863(11) 0.14773(10) 0.0867(2) 1.  0 d
  W3    W6+    8 g 0.03788(10) 0.39155(9) 0.3833(2) 1.  0 d
  W4    W6+    8 g 0.01587(10) 0.23759(11) 0.6655(2) 1.  0 d
  W5    W6+    8 g 0.4494(11) 0.5964(11) 0.3791(20) 0.092  0 d
  Rb1   Rb1+   4 e 0. 0. 0.5258(33) 0.5  0 d
  Rb2   Rb1+   8 g 0.4779(17) 0. 0.25 0.25  0 d
  Rb3   Rb1+   8 g 0.4106(5) 0.2069(7) 0.5067(8) 1.  0 d
  Rb4   Rb1+   8 g 0.2840(3) 0.3844(4) 0.2167(6) 1.  0 d
  Rb5   Rb1+   8 g 0.015 0.015 0.024 0.2235  0 d
  O1    O2-    8 g 0.189(2) 0.092(2) 0.411(3) 1.  0 d
  O2    O2-    8 g 0.296(2) 0.056(2) 0.226(3) 1.  0 d
  O3    O2-    8 g 0.139(2) 0.410(4) 0.489(3) 1.  0 d
  O4    O2-    8 g 0.198(3) 0.102(3) 0.012(4) 1.  0 d
  O5    O2-    8 g 0.0588(31) 0.1306(31) 0.2550(53) 1.  0 d
  O6    O2-    8 g 0.067(2) 0.183(2) 0.508(3) 1.  0 d
  O7    O2-    8 g 0.217(2) 0.204(2) 0.223(3) 1.  0 d
  O8    O2-    8 g 0.390(2) 0.200(2) 0.190(3) 1.  0 d
  O9    O2-    8 g 0.215(2) 0.258(2) 0.486(3) 1.  0 d
  O10   O2-    8 g 0.088(2) 0.301(2) 0.313(3) 1.  0 d
  O11   O2-    8 g 0.461(2) 0.345(2) 0.269(3) 1.  0 d
  O12   O2-    4 f 0. 0.5 0.441(5) 1.  0 d
  O13   O2-    8 g 0.333(2) 0.014(2) 0.490(3) 1.  0 d
  O14   O2-    8 g 0.109(2) 0.459(2) 0.244(3) 1.  0 d
_refine_ls_R_factor_all            0.075
_cod_database_code 1001198