#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1008701.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_1008701
_chemical_name_systematic          'Sodium lithium ytterbium fluoride (1/1/2/8)'
_chemical_formula_structural       'Na Li Yb2 F8'
_chemical_formula_sum              'F8 Li Na Yb2'
_publ_section_title
;
Structure cristalline de Na Li Yb2 F8: Composes isotypes
;
loop_
_publ_author_name
  'Dib, A'
  'Gorius, F'
  'Aleonard, S'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    65
_journal_year                      1986
_journal_page_first                205
_journal_page_last                 214
_cell_length_a                     10.3516(9)
_cell_length_b                     8.2069(9)
_cell_length_c                     6.9674(7)
_cell_angle_alpha                  90
_cell_angle_beta                   90.(0)
_cell_angle_gamma                  90
_cell_volume                       591.9
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'C 1 2/c 1'
_symmetry_Int_Tables_number        15
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,y,1/2-z'
  '-x,-y,-z'
  'x,-y,1/2+z'
  '1/2+x,1/2+y,z'
  '1/2-x,1/2+y,1/2-z'
  '1/2-x,1/2-y,-z'
  '1/2+x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Yb3+   3.000
  Na1+   1.000
  F1-   -1.000
  Li1+   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
  Yb1   Yb3+   8 f 0.68682(1) 0.23711(2) 0.25 1.  0 d
  Na1   Na1+   4 e 0. 0.6547(4) 0.75 1.  0 d
  F1    F1-    4 e 0.5 0.4115(5) 0.25 1.  0 d
  F2    F1-    8 f 0.7188(3) 0.0261(4) 0.7488(6) 1.  0 d
  F3    F1-    8 f 0.8616(3) 0.2034(4) 0.4487(4) 1.  0 d
  F4    F1-    4 e 0.5 0.1101(6) 0.25 1.  0 d
  F5    F1-    8 f 0.3621(3) 0.7035(4) 0.0516(4) 1.  0 d
  Li1   Li1+   4 a 0. 0. 0. 1.  0 d
_refine_ls_R_factor_all            0.021
_cod_database_code 1008701