The material described by Y3Co6Sn5 crystallizes in the orthorhombic Immm space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to four equivalent Co(2) and eight equivalent Sn(1) atoms to form distorted YCo4Sn8 cuboctahedra that share edges with two equivalent Sn(2)Y4Co8 cuboctahedra and faces with two equivalent Y(1)Co4Sn8 cuboctahedra. In the second Y site, Y(2) is bonded in a 14-coordinate geometry to two equivalent Co(1), four equivalent Co(2), two equivalent Sn(2), and six equivalent Sn(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 10-coordinate geometry to two equivalent Y(2), four equivalent Co(2), two equivalent Sn(1), and two equivalent Sn(2) atoms. In the second Co site, Co(2) is bonded in a 10-coordinate geometry to one Y(1), two equivalent Y(2), one Co(2), two equivalent Co(1), one Sn(2), and three equivalent Sn(1) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 10-coordinate geometry to two equivalent Y(1), three equivalent Y(2), one Co(1), three equivalent Co(2), and one Sn(1) atom. In the second Sn site, Sn(2) is bonded to four equivalent Y(2), four equivalent Co(1), and four equivalent Co(2) atoms to form SnY4Co8 cuboctahedra that share edges with two equivalent Y(1)Co4Sn8 cuboctahedra and faces with two equivalent Sn(2)Y4Co8 cuboctahedra. is represented by the CIF file [CIF]
data_Y3Co6Sn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.129
_cell_length_b   8.129
_cell_length_c   8.129
_cell_angle_alpha   149.248
_cell_angle_beta   106.960
_cell_angle_gamma   81.309
_symmetry_Int_Tables_number   1
_cell_volume   257.177
_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  0.000  0.000  0.000  1.0
  Y  Y1  1  0.317  0.317  0.000  1.0
  Y  Y2  1  0.683  0.683  0.000  1.0
  Co  Co3  1  0.697  0.500  0.197  1.0
  Co  Co4  1  0.303  0.500  0.803  1.0
  Co  Co5  1  0.381  0.107  0.274  1.0
  Co  Co6  1  0.619  0.893  0.726  1.0
  Co  Co7  1  0.833  0.107  0.726  1.0
  Co  Co8  1  0.167  0.893  0.274  1.0
  Sn  Sn9  1  0.665  0.323  0.341  1.0
  Sn  Sn10  1  0.335  0.677  0.659  1.0
  Sn  Sn11  1  0.982  0.323  0.659  1.0
  Sn  Sn12  1  0.018  0.677  0.341  1.0
  Sn  Sn13  1  0.500  0.000  0.500  1.0
[/CIF]
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The material described by Y3Co6Sn5 crystallizes in the orthorhombic Immm space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to four equivalent Co(2) and eight equivalent Sn(1) atoms to form distorted YCo4Sn8 cuboctahedra that share edges with two equivalent Sn(2)Y4Co8 cuboctahedra and faces with two equivalent Y(1)Co4Sn8 cuboctahedra. In the second Y site, Y(2) is bonded in a 14-coordinate geometry to two equivalent Co(1), four equivalent Co(2), two equivalent Sn(2), and six equivalent Sn(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 10-coordinate geometry to two equivalent Y(2), four equivalent Co(2), two equivalent Sn(1), and two equivalent Sn(2) atoms. In the second Co site, Co(2) is bonded in a 10-coordinate geometry to one Y(1), two equivalent Y(2), one Co(2), two equivalent Co(1), one Sn(2), and three equivalent Sn(1) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 10-coordinate geometry to two equivalent Y(1), three equivalent Y(2), one Co(1), three equivalent Co(2), and one Sn(1) atom. In the second Sn site, Sn(2) is bonded to four equivalent Y(2), four equivalent Co(1), and four equivalent Co(2) atoms to form SnY4Co8 cuboctahedra that share edges with two equivalent Y(1)Co4Sn8 cuboctahedra and faces with two equivalent Sn(2)Y4Co8 cuboctahedra. is represented by the CIF file [CIF]
data_Y3Co6Sn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.129
_cell_length_b   8.129
_cell_length_c   8.129
_cell_angle_alpha   149.248
_cell_angle_beta   106.960
_cell_angle_gamma   81.309
_symmetry_Int_Tables_number   1
_cell_volume   257.177
_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  0.000  0.000  0.000  1.0
  Y  Y1  1  0.317  0.317  0.000  1.0
  Y  Y2  1  0.683  0.683  0.000  1.0
  Co  Co3  1  0.697  0.500  0.197  1.0
  Co  Co4  1  0.303  0.500  0.803  1.0
  Co  Co5  1  0.381  0.107  0.274  1.0
  Co  Co6  1  0.619  0.893  0.726  1.0
  Co  Co7  1  0.833  0.107  0.726  1.0
  Co  Co8  1  0.167  0.893  0.274  1.0
  Sn  Sn9  1  0.665  0.323  0.341  1.0
  Sn  Sn10  1  0.335  0.677  0.659  1.0
  Sn  Sn11  1  0.982  0.323  0.659  1.0
  Sn  Sn12  1  0.018  0.677  0.341  1.0
  Sn  Sn13  1  0.500  0.000  0.500  1.0
[/CIF]
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