data_2006461
_journal_name_full   'Acta Crystallographica'
_journal_year   1997
_journal_volume   C53
_journal_page_first   1176
_journal_page_last   1178
_publ_section_title
;
Cesium Pentafluoroterbate, CsTbF~5~
;
loop_
_publ_author_name
  'Gaumet, Vincent'
  'Avignant, Daniel'
_chemical_formula_sum   'Cs Tb F5'
_chemical_formula_weight   386.82
_symmetry_cell_setting   orthorhombic
_symmetry_space_group_name_H-M   'C m c a'
_symmetry_space_group_name_Hall   '-C 2bc 2'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2-y,1/2+z'
  '-x,-y,-z'
  'x,-y,-z'
  '-x,1/2+y,1/2-z'
  'x,1/2+y,1/2-z'
  '1/2+x,1/2+y,z'
  '1/2-x,1/2+y,z'
  '1/2+x,-y,1/2+z'
  '1/2-x,-y,1/2+z'
  '1/2-x,1/2-y,-z'
  '1/2+x,1/2-y,-z'
  '1/2-x,y,1/2-z'
  '1/2+x,y,1/2-z'
_cell_length_a   14.0670(10)
_cell_length_b   8.163(2)
_cell_length_c   8.161(2)
_cell_angle_alpha   90
_cell_angle_beta   90
_cell_angle_gamma   90
_cell_volume   937.1(3)
_cell_formula_units_Z   8
_cell_measurement_temperature   293
_exptl_crystal_density_diffrn   5.484
_refine_ls_R_factor_obs  .026
_refine_ls_wR_factor_obs  .028
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
  Cs  .20754(4) 0 0  .02140(10)
  Tb 0  .16291(3)  .33741(3)  .00720(10)
  F(1) 0  .2081(6)  .0650(6)  .0203(12)
  F(2) 0  .4355(5)  .2923(5)  .0167(8)
  F(3)  .0846(3) 0  .5  .0157(10)
  F(4)  .1408(2)  .2120(4)  .2890(4)  .0203(6)
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
  Cs  .0174(2)  .0231(2)  .0237(2) 0 0  -.0030(2)
  Tb  .01076(8)  .00559(7)  .00518(7) 0 0  .00014(9)
  F(1)  .038(3)  .015(2)  .0080(10)
  0 0  .0020(10)
  F(2)  .031(2)  .0090(10)
  .0100(10)
  0 0  .0010(10)
  F(3)  .0120(10)
  .018(2)  .017(2) 0 0  .006(2)
  F(4)  .0160(10)
  .0230(10)
  .0220(10)
   -.0040(10)
  .0050(10)
  .0020(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
  Cs Cs 1_555 10_555 4.2528(2) yes
  Cs Cs 1_555 15_555 4.2517(2) yes
  Cs Tb 1_555 1_555 4.2276(4) yes
  Cs Tb 1_555 3_554 4.2255(4) yes
  Tb Tb 1_555 6_556 3.7572(5) yes
  Tb F(1) 1_555 1_555 2.254(5) yes
  Tb F(1) 1_555 3_555 2.135(5) yes
  Tb F(2) 1_555 1_555 2.255(4) yes
  Tb F(2) 1_555 7_545 2.137(4) yes
  Tb F(3) 1_555 1_555 2.224(2) yes
  Tb F(3) 1_555 2_555 2.224(2) yes
  Tb F(4) 1_555 1_555 2.059(3) yes
  Tb F(4) 1_555 2_555 2.059(3) yes
  Cs F(1) 1_555 1_555 3.419(3) yes
  Cs F(1) 1_555 5_555 3.419(3) yes
  Cs F(2) 1_555 3_554 3.417(2) yes
  Cs F(2) 1_555 7_545 3.417(2) yes
  Cs F(3) 1_555 12_554 2.924(4) yes
  Cs F(4) 1_555 1_555 3.072(4) yes
  Cs F(4) 1_555 6_555 3.072(4) yes
  Cs F(4) 1_555 3_554 3.062(4) yes
  Cs F(4) 1_555 12_554 3.242(4) yes
  Cs F(4) 1_555 8_545 3.062(4) yes
  Cs F(4) 1_555 15_555 3.242(4) yes
  F(1) F(2) 1_555 1_555 2.624(6) yes
  F(1) F(2) 1_555 3_554 2.515(6) yes
  F(1) F(2) 1_555 7_545 2.512(6) yes
  F(1) F(3) 1_555 3_554 2.715(5) yes
  F(1) F(3) 1_555 4_554 2.715(5) yes
  F(1) F(4) 1_555 1_555 2.696(5) yes
  F(1) F(4) 1_555 2_555 2.696(5) yes
  F(2) F(3) 1_555 3_554 2.717(4) yes
  F(2) F(3) 1_555 4_554 2.717(4) yes
  F(2) F(4) 1_555 1_555 2.693(5) yes
  F(2) F(4) 1_555 2_555 2.693(5) yes
  F(3) F(3) 1_555 2_555 2.379(6) yes
  F(3) F(4) 1_555 1_555 2.566(4) yes
  F(3) F(4) 1_555 6_556 2.566(4) yes