The material structure described by BaTm2F8 crystallizes in the monoclinic C2/m space group. Ba(1) is bonded to two equivalent F(1), two equivalent F(2), and eight equivalent F(3) atoms to form face-sharing BaF12 cuboctahedra. Tm(1) is bonded in a 8-coordinate geometry to two equivalent F(1), two equivalent F(2), and four equivalent F(3) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Ba(1) and two equivalent Tm(1) atoms. In the second F site, F(2) is bonded in a trigonal non-coplanar geometry to one Ba(1) and two equivalent Tm(1) atoms. In the third F site, F(3) is bonded in a 4-coordinate geometry to two equivalent Ba(1) and two equivalent Tm(1) atoms. is represented by the CIF file [CIF]
data_BaTm2F8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.212
_cell_length_b   6.219
_cell_length_c   6.219
_cell_angle_alpha   112.977
_cell_angle_beta   95.044
_cell_angle_gamma   95.044
_symmetry_Int_Tables_number   1
_cell_volume   148.074
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ba  Ba0  1  0.000  0.000  0.000  1.0
  Tm  Tm1  1  0.500  0.325  0.675  1.0
  Tm  Tm2  1  0.500  0.675  0.325  1.0
  F  F3  1  0.000  0.736  0.264  1.0
  F  F4  1  0.000  0.264  0.736  1.0
  F  F5  1  0.227  0.396  0.396  1.0
  F  F6  1  0.439  0.671  0.954  1.0
  F  F7  1  0.561  0.046  0.329  1.0
  F  F8  1  0.561  0.329  0.046  1.0
  F  F9  1  0.439  0.954  0.671  1.0
  F  F10  1  0.773  0.604  0.604  1.0
[/CIF]
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The material structure described by BaTm2F8 crystallizes in the monoclinic C2/m space group. Ba(1) is bonded to two equivalent F(1), two equivalent F(2), and eight equivalent F(3) atoms to form face-sharing BaF12 cuboctahedra. Tm(1) is bonded in a 8-coordinate geometry to two equivalent F(1), two equivalent F(2), and four equivalent F(3) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Ba(1) and two equivalent Tm(1) atoms. In the second F site, F(2) is bonded in a trigonal non-coplanar geometry to one Ba(1) and two equivalent Tm(1) atoms. In the third F site, F(3) is bonded in a 4-coordinate geometry to two equivalent Ba(1) and two equivalent Tm(1) atoms. is represented by the CIF file [CIF]
data_BaTm2F8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.212
_cell_length_b   6.219
_cell_length_c   6.219
_cell_angle_alpha   112.977
_cell_angle_beta   95.044
_cell_angle_gamma   95.044
_symmetry_Int_Tables_number   1
_cell_volume   148.074
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ba  Ba0  1  0.000  0.000  0.000  1.0
  Tm  Tm1  1  0.500  0.325  0.675  1.0
  Tm  Tm2  1  0.500  0.675  0.325  1.0
  F  F3  1  0.000  0.736  0.264  1.0
  F  F4  1  0.000  0.264  0.736  1.0
  F  F5  1  0.227  0.396  0.396  1.0
  F  F6  1  0.439  0.671  0.954  1.0
  F  F7  1  0.561  0.046  0.329  1.0
  F  F8  1  0.561  0.329  0.046  1.0
  F  F9  1  0.439  0.954  0.671  1.0
  F  F10  1  0.773  0.604  0.604  1.0
[/CIF]
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