#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1000157.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_1000157
_chemical_name_systematic          'MANGANESE SODIUM HEXAFLUOROCHROMATE(III)'
_chemical_formula_structural       'MN NA CR F6'
_chemical_formula_sum              'Cr F6 Mn Na'
_publ_section_title                'La structure cristalline de Na Mn Cr F~6~'
loop_
_publ_author_name
  'Courbion, G'
  'Jacoboni, C'
  'de=Pape, R'
_journal_name_full                 'Acta Crystallographica B (24,1968-38,1982)'
_journal_coden_ASTM                ACBCAR
_journal_volume                    33
_journal_year                      1977
_journal_page_first                1405
_journal_page_last                 1408
_cell_length_a                     8.993(1)
_cell_length_b                     8.993(1)
_cell_length_c                     5.003(1)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       350.4
_cell_formula_units_Z              3
_exptl_crystal_density_meas        3.52
_symmetry_space_group_name_H-M     'P 3 2 1'
_symmetry_Int_Tables_number        150
_symmetry_cell_setting             trigonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  'y,x,-z'
  '-x,y-x,-z'
  'x-y,-y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Na1+   1.000
  Mn2+   2.000
  Cr3+   3.000
  F1-   -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
  Na1   Na1+   3 e 0.3722(2) 0. 0. 1.  0 d
  Mn1   Mn2+   3 f 0.70258(4) 0. 0.5 1.  0 d
  Cr1   Cr3+   1 a 0. 0. 0. 1.  0 d
  Cr2   Cr3+   2 d 0.3333 0.6667 0.49708(8) 1.  0 d
  F1    F1-    6 g 0.9031(2) 0.1033(2) 0.7798(2) 1.  0 d
  F2    F1-    6 g 0.5390(2) 0.4073(2) 0.7131(2) 1.  0 d
  F3    F1-    6 g 0.2347(2) 0.7744(2) 0.7039(2) 1.  0 d
_refine_ls_R_factor_all            0.026