data_1000088
_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                     7.585(1)
_cell_length_b                     4.965(1)
_cell_length_c                     11.116(2)
_cell_angle_alpha                  90
_cell_angle_beta                   106.96(1)
_cell_angle_gamma                  90
_cell_volume                       400.4
_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 0.2534(3) 0.5135(2) 0.0016(2) 1.  0 d
  F1    F1-    4 e 0.459(1) 0.185(2) 0.4275(9) 1.  0 d
  F2    F1-    4 e 0.102(1) 0.357(1) 0.8215(8) 1.  0 d
  F3    F1-    4 e 0.047(1) 0.238(2) 0.5431(8) 1.  0 d
  F4    F1-    4 e 0.408(2) 0.223(2) 0.6570(9) 1.  0 d
  F5    F1-    4 e 0.248(1) 0.631(1) 0.3969(7) 1.  0 d
  F6    F1-    4 e 0.248(1) 0.755(1) 0.6597(9) 1.  0 d
  Li1   Li1+   4 e 0.405(2) 0.501(8) 0.326(2) 1.  0 d
  Li2   Li1+   4 e 0.036(3) -0.033(8) 0.194(2) 1.  0 d
_refine_ls_R_factor_all            0.0372