The compound described by Nd3Co6Sn5 crystallizes in the orthorhombic Immm space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 12-coordinate geometry to four equivalent Co(2) and eight equivalent Sn(1) atoms. In the second Nd site, Nd(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 Nd(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 Nd(1), two equivalent Nd(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 Nd(1), three equivalent Nd(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 Nd(2), four equivalent Co(1), and four equivalent Co(2) atoms to form face-sharing SnNd4Co8 cuboctahedra. is represented by the CIF file [CIF]
data_Nd3Co6Sn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.260
_cell_length_b   8.260
_cell_length_c   8.260
_cell_angle_alpha   149.405
_cell_angle_beta   106.893
_cell_angle_gamma   81.294
_symmetry_Int_Tables_number   1
_cell_volume   268.718
_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
  Nd  Nd0  1  0.000  0.000  0.000  1.0
  Nd  Nd1  1  0.317  0.317  0.000  1.0
  Nd  Nd2  1  0.683  0.683  0.000  1.0
  Co  Co3  1  0.700  0.500  0.200  1.0
  Co  Co4  1  0.300  0.500  0.800  1.0
  Co  Co5  1  0.381  0.107  0.275  1.0
  Co  Co6  1  0.619  0.893  0.725  1.0
  Co  Co7  1  0.832  0.107  0.725  1.0
  Co  Co8  1  0.168  0.893  0.275  1.0
  Sn  Sn9  1  0.662  0.324  0.338  1.0
  Sn  Sn10  1  0.338  0.676  0.662  1.0
  Sn  Sn11  1  0.986  0.324  0.662  1.0
  Sn  Sn12  1  0.014  0.676  0.338  1.0
  Sn  Sn13  1  0.500  0.000  0.500  1.0
[/CIF]
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The compound described by Nd3Co6Sn5 crystallizes in the orthorhombic Immm space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 12-coordinate geometry to four equivalent Co(2) and eight equivalent Sn(1) atoms. In the second Nd site, Nd(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 Nd(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 Nd(1), two equivalent Nd(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 Nd(1), three equivalent Nd(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 Nd(2), four equivalent Co(1), and four equivalent Co(2) atoms to form face-sharing SnNd4Co8 cuboctahedra. is represented by the CIF file [CIF]
data_Nd3Co6Sn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.260
_cell_length_b   8.260
_cell_length_c   8.260
_cell_angle_alpha   149.405
_cell_angle_beta   106.893
_cell_angle_gamma   81.294
_symmetry_Int_Tables_number   1
_cell_volume   268.718
_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
  Nd  Nd0  1  0.000  0.000  0.000  1.0
  Nd  Nd1  1  0.317  0.317  0.000  1.0
  Nd  Nd2  1  0.683  0.683  0.000  1.0
  Co  Co3  1  0.700  0.500  0.200  1.0
  Co  Co4  1  0.300  0.500  0.800  1.0
  Co  Co5  1  0.381  0.107  0.275  1.0
  Co  Co6  1  0.619  0.893  0.725  1.0
  Co  Co7  1  0.832  0.107  0.725  1.0
  Co  Co8  1  0.168  0.893  0.275  1.0
  Sn  Sn9  1  0.662  0.324  0.338  1.0
  Sn  Sn10  1  0.338  0.676  0.662  1.0
  Sn  Sn11  1  0.986  0.324  0.662  1.0
  Sn  Sn12  1  0.014  0.676  0.338  1.0
  Sn  Sn13  1  0.500  0.000  0.500  1.0
[/CIF]
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