The compound described by BaYF5 crystallizes in the tetragonal P4/mmm space group. Ba(1) is bonded to four equivalent F(2) and eight equivalent F(1) atoms to form a mixture of face and corner-sharing BaF12 cuboctahedra. Y(1) is bonded in a body-centered cubic geometry to eight equivalent F(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded to two equivalent Ba(1) and two equivalent Y(1) atoms to form a mixture of distorted edge and corner-sharing FBa2Y2 tetrahedra. In the second F site, F(2) is bonded in a square co-planar geometry to four equivalent Ba(1) atoms. is represented by the CIF file [CIF]
data_BaYF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.907
_cell_length_b   3.907
_cell_length_c   6.764
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   103.236
_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  0.500  0.500  0.500  1.0
  Y  Y1  1  0.000  0.000  0.000  1.0
  F  F2  1  0.500  0.000  0.814  1.0
  F  F3  1  0.500  0.000  0.186  1.0
  F  F4  1  0.000  0.500  0.814  1.0
  F  F5  1  0.000  0.500  0.186  1.0
  F  F6  1  0.000  0.000  0.500  1.0
[/CIF]
.
The compound described by BaYF5 crystallizes in the tetragonal P4/mmm space group. Ba(1) is bonded to four equivalent F(2) and eight equivalent F(1) atoms to form a mixture of face and corner-sharing BaF12 cuboctahedra. Y(1) is bonded in a body-centered cubic geometry to eight equivalent F(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded to two equivalent Ba(1) and two equivalent Y(1) atoms to form a mixture of distorted edge and corner-sharing FBa2Y2 tetrahedra. In the second F site, F(2) is bonded in a square co-planar geometry to four equivalent Ba(1) atoms. is represented by the CIF file [CIF]
data_BaYF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.907
_cell_length_b   3.907
_cell_length_c   6.764
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   103.236
_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  0.500  0.500  0.500  1.0
  Y  Y1  1  0.000  0.000  0.000  1.0
  F  F2  1  0.500  0.000  0.814  1.0
  F  F3  1  0.500  0.000  0.186  1.0
  F  F4  1  0.000  0.500  0.814  1.0
  F  F5  1  0.000  0.500  0.186  1.0
  F  F6  1  0.000  0.000  0.500  1.0
[/CIF]
.