The material described by Y3Co13B2 crystallizes in the orthorhombic Cmm2 space group. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded in a 18-coordinate geometry to two equivalent Co(2), two equivalent Co(8), four equivalent Co(1), four equivalent Co(7), and six equivalent Co(5) atoms. In the second Y site, Y(2) is bonded in a 18-coordinate geometry to two equivalent Co(4), two equivalent Co(8), four equivalent Co(3), four equivalent Co(7), and six equivalent Co(6) atoms. In the third Y site, Y(3) is bonded in a 18-coordinate geometry to two equivalent Co(2), two equivalent Co(4), four equivalent Co(1), four equivalent Co(3), and six equivalent B(1) atoms. There are eight inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted L-shaped geometry to two equivalent Y(1), two equivalent Y(3), two equivalent Co(5), and two equivalent B(1) atoms. In the second Co site, Co(2) is bonded in a distorted L-shaped geometry to two equivalent Y(1), two equivalent Y(3), two equivalent Co(5), and two equivalent B(1) atoms. In the third Co site, Co(3) is bonded in a distorted L-shaped geometry to two equivalent Y(2), two equivalent Y(3), two equivalent Co(6), and two equivalent B(1) atoms. In the fourth Co site, Co(4) is bonded in a distorted L-shaped geometry to two equivalent Y(2), two equivalent Y(3), two equivalent Co(6), and two equivalent B(1) atoms. In the fifth Co site, Co(5) is bonded in a 9-coordinate geometry to three equivalent Y(1), one Co(2), one Co(8), two equivalent Co(1), and two equivalent Co(7) atoms. In the sixth Co site, Co(6) is bonded in a 9-coordinate geometry to three equivalent Y(2), one Co(4), one Co(8), two equivalent Co(3), and two equivalent Co(7) atoms. In the seventh Co site, Co(7) is bonded to two equivalent Y(1), two equivalent Y(2), two equivalent Co(5), two equivalent Co(6), two equivalent Co(7), and two equivalent Co(8) atoms to form a mixture of face, corner, and edge-sharing CoY4Co8 cuboctahedra. In the eighth Co site, Co(8) is bonded to two equivalent Y(1), two equivalent Y(2), two equivalent Co(5), two equivalent Co(6), and four equivalent Co(7) atoms to form a mixture of face, corner, and edge-sharing CoY4Co8 cuboctahedra. B(1) is bonded in a 6-coordinate geometry to three equivalent Y(3), one Co(2), one Co(4), two equivalent Co(1), and two equivalent Co(3) atoms. is represented by the CIF file [CIF]
data_Y3Co13B2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.981
_cell_length_b   4.979
_cell_length_c   10.833
_cell_angle_alpha   90.000
_cell_angle_beta   90.001
_cell_angle_gamma   119.881
_symmetry_Int_Tables_number   1
_cell_volume   232.919
_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  1.000  1.000  0.324  1.0
  Y  Y1  1  0.000  0.000  0.677  1.0
  Y  Y2  1  1.000  0.000  1.000  1.0
  Co  Co3  1  0.500  1.000  0.136  1.0
  Co  Co4  1  0.500  0.500  0.136  1.0
  Co  Co5  1  0.000  0.500  0.136  1.0
  Co  Co6  1  0.500  1.000  0.864  1.0
  Co  Co7  1  0.500  0.500  0.864  1.0
  Co  Co8  1  0.000  0.500  0.864  1.0
  Co  Co9  1  0.334  0.667  0.318  1.0
  Co  Co10  1  0.666  0.333  0.318  1.0
  Co  Co11  1  0.666  0.333  0.682  1.0
  Co  Co12  1  0.334  0.667  0.682  1.0
  Co  Co13  1  0.500  1.000  0.500  1.0
  Co  Co14  1  0.500  0.500  0.500  1.0
  Co  Co15  1  0.000  0.500  0.500  1.0
  B  B16  1  0.333  0.667  1.000  1.0
  B  B17  1  0.667  0.333  1.000  1.0
[/CIF]
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The material described by Y3Co13B2 crystallizes in the orthorhombic Cmm2 space group. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded in a 18-coordinate geometry to two equivalent Co(2), two equivalent Co(8), four equivalent Co(1), four equivalent Co(7), and six equivalent Co(5) atoms. In the second Y site, Y(2) is bonded in a 18-coordinate geometry to two equivalent Co(4), two equivalent Co(8), four equivalent Co(3), four equivalent Co(7), and six equivalent Co(6) atoms. In the third Y site, Y(3) is bonded in a 18-coordinate geometry to two equivalent Co(2), two equivalent Co(4), four equivalent Co(1), four equivalent Co(3), and six equivalent B(1) atoms. There are eight inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted L-shaped geometry to two equivalent Y(1), two equivalent Y(3), two equivalent Co(5), and two equivalent B(1) atoms. In the second Co site, Co(2) is bonded in a distorted L-shaped geometry to two equivalent Y(1), two equivalent Y(3), two equivalent Co(5), and two equivalent B(1) atoms. In the third Co site, Co(3) is bonded in a distorted L-shaped geometry to two equivalent Y(2), two equivalent Y(3), two equivalent Co(6), and two equivalent B(1) atoms. In the fourth Co site, Co(4) is bonded in a distorted L-shaped geometry to two equivalent Y(2), two equivalent Y(3), two equivalent Co(6), and two equivalent B(1) atoms. In the fifth Co site, Co(5) is bonded in a 9-coordinate geometry to three equivalent Y(1), one Co(2), one Co(8), two equivalent Co(1), and two equivalent Co(7) atoms. In the sixth Co site, Co(6) is bonded in a 9-coordinate geometry to three equivalent Y(2), one Co(4), one Co(8), two equivalent Co(3), and two equivalent Co(7) atoms. In the seventh Co site, Co(7) is bonded to two equivalent Y(1), two equivalent Y(2), two equivalent Co(5), two equivalent Co(6), two equivalent Co(7), and two equivalent Co(8) atoms to form a mixture of face, corner, and edge-sharing CoY4Co8 cuboctahedra. In the eighth Co site, Co(8) is bonded to two equivalent Y(1), two equivalent Y(2), two equivalent Co(5), two equivalent Co(6), and four equivalent Co(7) atoms to form a mixture of face, corner, and edge-sharing CoY4Co8 cuboctahedra. B(1) is bonded in a 6-coordinate geometry to three equivalent Y(3), one Co(2), one Co(4), two equivalent Co(1), and two equivalent Co(3) atoms. is represented by the CIF file [CIF]
data_Y3Co13B2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.981
_cell_length_b   4.979
_cell_length_c   10.833
_cell_angle_alpha   90.000
_cell_angle_beta   90.001
_cell_angle_gamma   119.881
_symmetry_Int_Tables_number   1
_cell_volume   232.919
_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  1.000  1.000  0.324  1.0
  Y  Y1  1  0.000  0.000  0.677  1.0
  Y  Y2  1  1.000  0.000  1.000  1.0
  Co  Co3  1  0.500  1.000  0.136  1.0
  Co  Co4  1  0.500  0.500  0.136  1.0
  Co  Co5  1  0.000  0.500  0.136  1.0
  Co  Co6  1  0.500  1.000  0.864  1.0
  Co  Co7  1  0.500  0.500  0.864  1.0
  Co  Co8  1  0.000  0.500  0.864  1.0
  Co  Co9  1  0.334  0.667  0.318  1.0
  Co  Co10  1  0.666  0.333  0.318  1.0
  Co  Co11  1  0.666  0.333  0.682  1.0
  Co  Co12  1  0.334  0.667  0.682  1.0
  Co  Co13  1  0.500  1.000  0.500  1.0
  Co  Co14  1  0.500  0.500  0.500  1.0
  Co  Co15  1  0.000  0.500  0.500  1.0
  B  B16  1  0.333  0.667  1.000  1.0
  B  B17  1  0.667  0.333  1.000  1.0
[/CIF]
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