The compound described by BaYb2F8 crystallizes in the monoclinic C2/m space group. Ba(1) is bonded to two equivalent F(2), two equivalent F(3), and eight equivalent F(1) atoms to form face-sharing BaF12 cuboctahedra. Yb(1) is bonded in a 8-coordinate geometry to two equivalent F(2), two equivalent F(3), and four equivalent F(1) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to two equivalent Ba(1) and two equivalent Yb(1) atoms. In the second F site, F(2) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1) and two equivalent Yb(1) atoms. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Ba(1) and two equivalent Yb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaYb2F8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.192
_cell_length_b   6.192
_cell_length_c   6.192
_cell_angle_alpha   111.946
_cell_angle_beta   93.227
_cell_angle_gamma   93.227
_symmetry_Int_Tables_number   1
_cell_volume   148.286
_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
  Yb  Yb1  1  0.500  0.685  0.315  1.0
  Yb  Yb2  1  0.500  0.315  0.685  1.0
  F  F3  1  0.466  0.677  0.937  1.0
  F  F4  1  0.534  0.323  0.063  1.0
  F  F5  1  0.534  0.063  0.323  1.0
  F  F6  1  0.466  0.937  0.677  1.0
  F  F7  1  0.817  0.578  0.578  1.0
  F  F8  1  0.183  0.422  0.422  1.0
  F  F9  1  0.000  0.747  0.253  1.0
  F  F10  1  0.000  0.253  0.747  1.0
[/CIF]
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The compound described by BaYb2F8 crystallizes in the monoclinic C2/m space group. Ba(1) is bonded to two equivalent F(2), two equivalent F(3), and eight equivalent F(1) atoms to form face-sharing BaF12 cuboctahedra. Yb(1) is bonded in a 8-coordinate geometry to two equivalent F(2), two equivalent F(3), and four equivalent F(1) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to two equivalent Ba(1) and two equivalent Yb(1) atoms. In the second F site, F(2) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1) and two equivalent Yb(1) atoms. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Ba(1) and two equivalent Yb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaYb2F8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.192
_cell_length_b   6.192
_cell_length_c   6.192
_cell_angle_alpha   111.946
_cell_angle_beta   93.227
_cell_angle_gamma   93.227
_symmetry_Int_Tables_number   1
_cell_volume   148.286
_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
  Yb  Yb1  1  0.500  0.685  0.315  1.0
  Yb  Yb2  1  0.500  0.315  0.685  1.0
  F  F3  1  0.466  0.677  0.937  1.0
  F  F4  1  0.534  0.323  0.063  1.0
  F  F5  1  0.534  0.063  0.323  1.0
  F  F6  1  0.466  0.937  0.677  1.0
  F  F7  1  0.817  0.578  0.578  1.0
  F  F8  1  0.183  0.422  0.422  1.0
  F  F9  1  0.000  0.747  0.253  1.0
  F  F10  1  0.000  0.253  0.747  1.0
[/CIF]
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