#------------------------------------------------------------------------------
#$Date: 2012-02-28 12:14:52 +0000 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/13/1001333.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_1001333
_chemical_name_systematic          'Rubidium tungstophosphate *'
_chemical_formula_structural       'RB2 P8 W16 O64'
_chemical_formula_sum              'O64 P8 Rb2 W16'
_publ_section_title
;
Les bronzes de tungstene pyrophosphates Rb~x~ P~4~ O~8~ (W O~3~)~2m~:
etude structural du compose le plus riche en phosphore (Rb~2~ P~8~
W~16~ O~64~)
;
loop_
_publ_author_name
  'Giroult, J P'
  'Goreaux, M'
  'Labbe, P'
  'Raveau, B'
_journal_name_full                 'Revue de Chimie Minerale'
_journal_coden_ASTM                RVCMA8
_journal_volume                    20
_journal_year                      1983
_journal_page_first                829
_journal_page_last                 836
_cell_length_a                     10.181(6)
_cell_length_b                     7.519(1)
_cell_length_c                     17.156(4)
_cell_angle_alpha                  90
_cell_angle_beta                   113.32(3)
_cell_angle_gamma                  90
_cell_volume                       1206.0
_cell_formula_units_Z              1
_symmetry_space_group_name_H-M     'A 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'
  'x,1/2+y,1/2+z'
  '-x,1/2+y,1/2-z'
  '-x,1/2-y,1/2-z'
  'x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Rb1+   1.000
  W5+    5.375
  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
  Rb1   Rb1+   2 b 0. 0.5 0. 1.  0 d
  W1    W5+    8 j 0.41000(13) 0.25 0.13104(9) 1.  0 d
  W2    W5+    8 j 0.24283(10) 0.25 0.39220(6) 1.  0 d
  P1    P5+    8 j 0.1183(9) -1. 0.1773(6) 1.  0 dum
  O1    O2-    8 j 0.216(3) 0.223(3) 0.136(2) 1.  0 d
  O2    O2-    4 f 0.5 0.25 0.25 1.  0 d
  O3    O2-    8 j 0.306(3) 0.25 0.006(2) 1.  0 d
  O4    O2-    8 j 0.583(3) 0.25 0.115(2) 1.  0 d
  O5    O2-    8 j 0.147(3) 0.280(3) 0.262(2) 1.  0 d
  O6    O2-    8 j 0.039(3) 0.25 0.385(2) 1.  0 d
  O7    O2-    4 i 0.155(5) 0. 0.193(3) 1.  0 d
  O8    O2-    4 i 0.389(4) 0. 0.125(3) 1.  0 d
  O9    O2-    4 i 0.413(5) 0.5 0.133(3) 1.  0 d
  O10   O2-    4 i 0.254(4) 0.5 0.398(2) 1.  0 d
  O11   O2-    4 i 0.209(4) 0. 0.375(3) 1.  0 d
_refine_ls_R_factor_all            0.06
_cod_database_code 1001333