#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1001389.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_1001389
_chemical_name_systematic          'Rubidium tetrachlorozincate'
_chemical_formula_structural       'Rb2 (Zn Cl4)'
_chemical_formula_sum              'Cl4 Rb2 Zn'
_publ_section_title
;
Structural study of the incommensurate and lock-in phases of Rb~2~ Zn
Cl~4~
;
loop_
_publ_author_name
  'Hedoux, A'
  'Grebille, D'
  'Jaud, J'
  'Godefroy, G'
_journal_name_full                 'Acta Crystallographica B (39,1983-)'
_journal_coden_ASTM                ASBSDK
_journal_volume                    45
_journal_year                      1989
_journal_page_first                370
_journal_page_last                 378
_cell_length_a                     7.230(5)
_cell_length_b                     12.608(9)
_cell_length_c                     9.199(7)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       838.5
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P 21 c n'
_symmetry_Int_Tables_number        33
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,-y,-z'
  '1/2+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
  Zn2+   2.000
  Cl1-  -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+   4 a 0.25 0.4067 0.6298 1.  0 d
  Rb2   Rb1+   4 a 0.25 0.8196 0.4862 1.  0 d
  Zn1   Zn2+   4 a 0.25 0.4217 0.224 1.  0 d
  Cl1   Cl1-   4 a 0.25 0.4189 -0.0175 1.  0 d
  Cl2   Cl1-   4 a 0.25 0.5851 0.3204 1.  0 d
  Cl3   Cl1-   4 a 0.001 0.341 0.3139 1.  0 d
  Cl4   Cl1-   4 a 0.499 0.341 0.3139 1.  0 d
_refine_ls_R_factor_all            0.041
_cod_database_code 1001389