#------------------------------------------------------------------------------
#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/2/2006096.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_2006096
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1997
_journal_volume 53
_journal_page_first  530
_journal_page_last  532
_publ_section_title
;
\b-BaTbF~6~
;
loop_
_publ_author_name
 'Largeau, Eric'
 'El-Ghozzi, Malika'
 "M\'etin, Jacques"
 'Avignant, Daniel'
_chemical_formula_sum            'Ba F6 Tb'
_[local]_cod_chemical_formula_sum_orig 'Ba Tb F6'
_chemical_formula_weight  410.25
_symmetry_cell_setting  orthorhombic
_symmetry_space_group_name_H-M  'C m m a'
_symmetry_space_group_name_Hall  '-C 2a 2'
loop_
_symmetry_equiv_pos_as_xyz
 'x,y,z'
 '-x,-y,-z'
 'x,-y,-z'
 '-x,y,z'
 '1/2-x,y,-z'
 '1/2+x,-y,z'
 '1/2-x,-y,z'
 '1/2+x,y,-z'
 '1/2+x,1/2+y,z'
 '1/2-x,1/2-y,-z'
 '1/2+x,1/2-y,-z'
 '1/2-x,1/2+y,z'
 '-x,1/2+y,-z'
 'x,1/2-y,z'
 '-x,1/2-y,z'
 'x,1/2+y,-z'
_cell_length_a  7.7610(10)
_cell_length_b  11.513(3)
_cell_length_c  5.5234(9)
_cell_angle_alpha  90
_cell_angle_beta  90
_cell_angle_gamma  90
_cell_volume  493.57(17)
_cell_formula_units_Z  4
_cell_measurement_temperature  293
_exptl_crystal_density_diffrn  5.523
_refine_ls_R_factor_obs   .026
_refine_ls_wR_factor_obs   .030
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
 Ba 0  .25  .44358(9)  .00895(6)
 Tb  .25 0 0  .00589(5)
 F(1) 0  .4300(4)  .1557(8)  .0162(7)
 F(2)  .3060(4)  .3719(3)  .2541(6)  .0205(5)
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
 Ba  .00740(10)
   .00990(10)
 .00950(10)
 0 0 0
 Tb  .00365(9)  .00710(10)
  .00690(10)
  0 0 0
 F(1)  .0080(10)
 .021(2)  .020(2) 0 0  .0090(10)
 F(2)  .0130(10)
 .0230(10)
 .0250(10)
 .0030(10)
 -.0030(10)
  .0110(10)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
 Ba Ba . 8_556 3.93040(10)
 yes
 Ba Tb . . 4.2489(3) yes
 Ba F(1) . . 2.613(4) yes
 Ba F(2) . 5_556 2.651(4) yes
 Ba F(2) . . 2.951(3) yes
 Tb Tb . 2_555 3.88070(10)
 yes
 Tb F(1) . 1. 2.271(2) yes
 Tb F(2) . 10_555 2.081(3) yes
 F(1) F(1) . 2_565 2.356(7) yes
 F(1) F(2) . . 2.527(3) yes
 F(1) F(2) . 5_555 2.800(5) yes
 F(1) F(2) . 7_565 2.786(5) yes
_cod_database_code 2006096