The structure described by YCoF5 crystallizes in the orthorhombic Immm space group. Y(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form YF6 octahedra that share corners with two equivalent Y(1)F6 octahedra and corners with six equivalent Co(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 0-59°. Co(1) is bonded to two equivalent F(2) and four F(1,1) atoms to form distorted CoF6 octahedra that share corners with six equivalent Y(1)F6 octahedra and edges with two equivalent Co(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 0-59°. There are four inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Y(1) and two equivalent Co(1) atoms. In the second F site, F(2) is bonded in a linear geometry to one Y(1) and one Co(1) atom. In the third F site, F(3) is bonded in a linear geometry to two equivalent Y(1) atoms. In the fourth F site, F(1) is bonded in a trigonal planar geometry to one Y(1) and two equivalent Co(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_YCoF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.762
_cell_length_b   5.762
_cell_length_c   5.762
_cell_angle_alpha   137.080
_cell_angle_beta   105.976
_cell_angle_gamma   89.568
_symmetry_Int_Tables_number   1
_cell_volume   119.624
_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
  Y  Y0  1  0.500  0.500  0.000  1.0
  Co  Co1  1  0.000  0.000  0.000  1.0
  F  F2  1  0.816  0.500  0.316  1.0
  F  F3  1  0.184  0.500  0.684  1.0
  F  F4  1  0.231  0.231  0.000  1.0
  F  F5  1  0.769  0.769  0.000  1.0
  F  F6  1  0.500  0.000  0.500  1.0
[/CIF]
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The structure described by YCoF5 crystallizes in the orthorhombic Immm space group. Y(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form YF6 octahedra that share corners with two equivalent Y(1)F6 octahedra and corners with six equivalent Co(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 0-59°. Co(1) is bonded to two equivalent F(2) and four F(1,1) atoms to form distorted CoF6 octahedra that share corners with six equivalent Y(1)F6 octahedra and edges with two equivalent Co(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 0-59°. There are four inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Y(1) and two equivalent Co(1) atoms. In the second F site, F(2) is bonded in a linear geometry to one Y(1) and one Co(1) atom. In the third F site, F(3) is bonded in a linear geometry to two equivalent Y(1) atoms. In the fourth F site, F(1) is bonded in a trigonal planar geometry to one Y(1) and two equivalent Co(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_YCoF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.762
_cell_length_b   5.762
_cell_length_c   5.762
_cell_angle_alpha   137.080
_cell_angle_beta   105.976
_cell_angle_gamma   89.568
_symmetry_Int_Tables_number   1
_cell_volume   119.624
_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
  Y  Y0  1  0.500  0.500  0.000  1.0
  Co  Co1  1  0.000  0.000  0.000  1.0
  F  F2  1  0.816  0.500  0.316  1.0
  F  F3  1  0.184  0.500  0.684  1.0
  F  F4  1  0.231  0.231  0.000  1.0
  F  F5  1  0.769  0.769  0.000  1.0
  F  F6  1  0.500  0.000  0.500  1.0
[/CIF]
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