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#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1000089.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_1000089
_chemical_name_systematic          'Dilithium terbium(IV) fluoride'
_chemical_formula_structural       'Li2 Tb F6'
_chemical_formula_sum              'F6 Li2 Tb'
_publ_section_title
;
Determination of the crystal structure of Li~2~ Tb F~6~ from X-ray and
neutron powder diffraction. An example of lithium in five-fold
coordination.
;
loop_
_publ_author_name
  'Laligant, Y'
  'Le Bail, A'
  'Ferey, G'
  'Avignant, D'
  'Cousseins, J C'
_journal_name_full
;
European Journal of Solid State Inorganic Chemistry
;
_journal_coden_ASTM                EJSCE5
_journal_volume                    25
_journal_year                      1988
_journal_page_first                551
_journal_page_last                 563
_cell_length_a                     7.560(1)
_cell_length_b                     4.934(1)
_cell_length_c                     11.066(1)
_cell_angle_alpha                  90
_cell_angle_beta                   107.02(1)
_cell_angle_gamma                  90
_cell_volume                       394.7
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P 1 21/c 1'
_symmetry_Int_Tables_number        14
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,1/2+y,1/2-z'
  '-x,-y,-z'
  'x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Tb4+   4.000
  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
  Tb1   Tb4+   4 e 0.2539(5) 0.5162(5) 0.0016(3) 1.  0 d
  F1    F1-    4 e 0.4583(6) 0.1863(7) 0.4261(3) 1.  0 d
  F2    F1-    4 e 0.1020(7) 0.3613(8) 0.8224(4) 1.  0 d
  F3    F1-    4 e 0.0427(5) 0.2338(8) 0.5438(4) 1.  0 d
  F4    F1-    4 e 0.3978(6) 0.2350(8) 0.6551(3) 1.  0 d
  F5    F1-    4 e 0.2480(6) 0.6298(8) 0.4027(4) 1.  0 d
  F6    F1-    4 e 0.2486(5) 0.7521(8) 0.6589(4) 1.  0 d
  Li1   Li1+   4 e 0.408(2) 0.502(2) 0.305(1) 1.  0 d
  Li2   Li1+   4 e 0.048(2) 0.024(3) 0.159(1) 1.  0 d
_refine_ls_R_factor_all            0.0156