#------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/01/1010138.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_1010138
_chemical_name_systematic          'Rubidium pentafluoroaquachromate(III)'
_chemical_formula_structural       'Rb2 Cr F5 (H2 O)'
_chemical_formula_sum            'Cr F5 H2 O Rb2'
_[local]_cod_chemical_formula_sum_orig 'H2 Cr F5 O Rb2'
_publ_section_title
;
Struttura dei sali complessi contenenti atomi o gruppi coordinati di
specie diversa.- II. Complessi a numero di coordinazione 6.I sali. (N
H~4~)~3~ (V F~6~), Rb~2~ (Cr F~5~ (H~2~ O))
;
loop_
_publ_author_name
  'Passerini, L'
  'Pirani, R'
_journal_name_full                 'Gazzetta Chimica Italiana'
_journal_coden_ASTM                GCITA9
_journal_volume                    62
_journal_year                      1932
_journal_page_first                289
_journal_page_last                 295
_cell_length_a                     8.38(5)
_cell_length_b                     8.38(5)
_cell_length_c                     8.38(5)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       588.5
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'F m -3'
_symmetry_Int_Tables_number        202
_symmetry_cell_setting             cubic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'y,z,x'
  'z,x,y'
  '-x,-y,-z'
  '-y,-z,-x'
  '-z,-x,-y'
  'x,-y,-z'
  'y,-z,-x'
  'z,-x,-y'
  '-x,y,z'
  '-y,z,x'
  '-z,x,y'
  '-x,y,-z'
  '-y,z,-x'
  '-z,x,-y'
  'x,-y,z'
  'y,-z,x'
  'z,-x,y'
  '-x,-y,z'
  '-y,-z,x'
  '-z,-x,y'
  'x,y,-z'
  'y,z,-x'
  'z,x,-y'
  'x,1/2+y,1/2+z'
  '1/2+x,y,1/2+z'
  '1/2+x,1/2+y,z'
  'y,1/2+z,1/2+x'
  '1/2+y,z,1/2+x'
  '1/2+y,1/2+z,x'
  'z,1/2+x,1/2+y'
  '1/2+z,x,1/2+y'
  '1/2+z,1/2+x,y'
  '-x,1/2-y,1/2-z'
  '1/2-x,-y,1/2-z'
  '1/2-x,1/2-y,-z'
  '-y,1/2-z,1/2-x'
  '1/2-y,-z,1/2-x'
  '1/2-y,1/2-z,-x'
  '-z,1/2-x,1/2-y'
  '1/2-z,-x,1/2-y'
  '1/2-z,1/2-x,-y'
  'x,1/2-y,1/2-z'
  '1/2+x,-y,1/2-z'
  '1/2+x,1/2-y,-z'
  'y,1/2-z,1/2-x'
  '1/2+y,-z,1/2-x'
  '1/2+y,1/2-z,-x'
  'z,1/2-x,1/2-y'
  '1/2+z,-x,1/2-y'
  '1/2+z,1/2-x,-y'
  '-x,1/2+y,1/2+z'
  '1/2-x,y,1/2+z'
  '1/2-x,1/2+y,z'
  '-y,1/2+z,1/2+x'
  '1/2-y,z,1/2+x'
  '1/2-y,1/2+z,x'
  '-z,1/2+x,1/2+y'
  '1/2-z,x,1/2+y'
  '1/2-z,1/2+x,y'
  '-x,1/2+y,1/2-z'
  '1/2-x,y,1/2-z'
  '1/2-x,1/2+y,-z'
  '-y,1/2+z,1/2-x'
  '1/2-y,z,1/2-x'
  '1/2-y,1/2+z,-x'
  '-z,1/2+x,1/2-y'
  '1/2-z,x,1/2-y'
  '1/2-z,1/2+x,-y'
  'x,1/2-y,1/2+z'
  '1/2+x,-y,1/2+z'
  '1/2+x,1/2-y,z'
  'y,1/2-z,1/2+x'
  '1/2+y,-z,1/2+x'
  '1/2+y,1/2-z,x'
  'z,1/2-x,1/2+y'
  '1/2+z,-x,1/2+y'
  '1/2+z,1/2-x,y'
  '-x,1/2-y,1/2+z'
  '1/2-x,-y,1/2+z'
  '1/2-x,1/2-y,z'
  '-y,1/2-z,1/2+x'
  '1/2-y,-z,1/2+x'
  '1/2-y,1/2-z,x'
  '-z,1/2-x,1/2+y'
  '1/2-z,-x,1/2+y'
  '1/2-z,1/2-x,y'
  'x,1/2+y,1/2-z'
  '1/2+x,y,1/2-z'
  '1/2+x,1/2+y,-z'
  'y,1/2+z,1/2-x'
  '1/2+y,z,1/2-x'
  '1/2+y,1/2+z,-x'
  'z,1/2+x,1/2-y'
  '1/2+z,x,1/2-y'
  '1/2+z,1/2+x,-y'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Rb1+   1.000
  Cr3+   3.000
  F1-   -1.000
  O2-   -2.000
  H1+    1.000
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+   8 c 0.25 0.25 0.25 1.  0 d
  Cr1   Cr3+   4 a 0. 0. 0. 1.  0 d
  F1    F1-   24 e 0.24 0. 0. 0.83  0 d
  O1    O2-   24 e 0.24 0. 0. 0.17  2 d
  H1    H1+    8 c -1. -1. -1. 1.  0 dum
_cod_database_code 1010138