The material described by YCo2B2C crystallizes in the tetragonal I4/mmm space group. Y(1) is bonded in a square co-planar geometry to four equivalent C(1) atoms. Co(1) is bonded to four equivalent B(1) atoms to form CoB4 tetrahedra that share corners with four equivalent C(1)Y4B2 octahedra, corners with four equivalent Co(1)B4 tetrahedra, and edges with four equivalent Co(1)B4 tetrahedra. The corner-sharing octahedral tilt angles are 58°. B(1) is bonded in a distorted single-bond geometry to four equivalent Co(1) and one C(1) atom. C(1) is bonded to four equivalent Y(1) and two equivalent B(1) atoms to form distorted CY4B2 octahedra that share corners with four equivalent C(1)Y4B2 octahedra, corners with eight equivalent Co(1)B4 tetrahedra, and edges with four equivalent C(1)Y4B2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_YCo2B2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.758
_cell_length_b   5.758
_cell_length_c   5.758
_cell_angle_alpha   144.218
_cell_angle_beta   144.218
_cell_angle_gamma   51.501
_symmetry_Int_Tables_number   1
_cell_volume   64.907
_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  0.750  0.250  0.500  1.0
  Co  Co2  1  0.250  0.750  0.500  1.0
  B  B3  1  0.145  0.145  0.000  1.0
  B  B4  1  0.855  0.855  0.000  1.0
  C  C5  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by YCo2B2C crystallizes in the tetragonal I4/mmm space group. Y(1) is bonded in a square co-planar geometry to four equivalent C(1) atoms. Co(1) is bonded to four equivalent B(1) atoms to form CoB4 tetrahedra that share corners with four equivalent C(1)Y4B2 octahedra, corners with four equivalent Co(1)B4 tetrahedra, and edges with four equivalent Co(1)B4 tetrahedra. The corner-sharing octahedral tilt angles are 58°. B(1) is bonded in a distorted single-bond geometry to four equivalent Co(1) and one C(1) atom. C(1) is bonded to four equivalent Y(1) and two equivalent B(1) atoms to form distorted CY4B2 octahedra that share corners with four equivalent C(1)Y4B2 octahedra, corners with eight equivalent Co(1)B4 tetrahedra, and edges with four equivalent C(1)Y4B2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_YCo2B2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.758
_cell_length_b   5.758
_cell_length_c   5.758
_cell_angle_alpha   144.218
_cell_angle_beta   144.218
_cell_angle_gamma   51.501
_symmetry_Int_Tables_number   1
_cell_volume   64.907
_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  0.750  0.250  0.500  1.0
  Co  Co2  1  0.250  0.750  0.500  1.0
  B  B3  1  0.145  0.145  0.000  1.0
  B  B4  1  0.855  0.855  0.000  1.0
  C  C5  1  0.000  0.000  0.000  1.0
[/CIF]
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