The crystal structure described by Lu6Ni2Sn crystallizes in the orthorhombic Immm space group. There are three inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 4-coordinate geometry to one Ni(2), two equivalent Ni(1), and one Sn(2) atom. In the second Lu site, Lu(2) is bonded in a 5-coordinate geometry to one Ni(1), two equivalent Ni(2), one Sn(1), and one Sn(2) atom. In the third Lu site, Lu(3) is bonded in a distorted rectangular see-saw-like geometry to one Ni(1), one Ni(2), one Sn(1), and one Sn(2) atom. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 8-coordinate geometry to two equivalent Lu(2), two equivalent Lu(3), and four equivalent Lu(1) atoms. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to two equivalent Lu(1), two equivalent Lu(3), four equivalent Lu(2), and one Ni(2) atom. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a distorted body-centered cubic geometry to four equivalent Lu(2) and four equivalent Lu(3) atoms. In the second Sn site, Sn(2) is bonded in a cuboctahedral geometry to four equivalent Lu(1), four equivalent Lu(2), and four equivalent Lu(3) atoms. is represented by the CIF card [CIF]
data_Lu6Ni2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.228
_cell_length_b   8.228
_cell_length_c   8.228
_cell_angle_alpha   112.629
_cell_angle_beta   110.234
_cell_angle_gamma   105.628
_symmetry_Int_Tables_number   1
_cell_volume   427.195
_cell_formula_units_Z   2
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
  Lu  Lu0  1  0.674  0.866  0.192  1.0
  Lu  Lu1  1  0.326  0.518  0.192  1.0
  Lu  Lu2  1  0.817  0.792  0.609  1.0
  Lu  Lu3  1  0.183  0.792  0.975  1.0
  Lu  Lu4  1  0.817  0.208  0.025  1.0
  Lu  Lu5  1  0.183  0.208  0.391  1.0
  Lu  Lu6  1  0.674  0.482  0.808  1.0
  Lu  Lu7  1  0.326  0.134  0.808  1.0
  Lu  Lu8  1  0.559  0.266  0.293  1.0
  Lu  Lu9  1  0.441  0.734  0.707  1.0
  Lu  Lu10  1  0.028  0.734  0.293  1.0
  Lu  Lu11  1  0.972  0.266  0.707  1.0
  Ni  Ni12  1  0.349  0.500  0.849  1.0
  Ni  Ni13  1  0.651  0.500  0.151  1.0
  Ni  Ni14  1  0.875  0.875  0.000  1.0
  Ni  Ni15  1  0.125  0.125  0.000  1.0
  Sn  Sn16  1  0.000  0.500  0.500  1.0
  Sn  Sn17  1  0.500  0.000  0.500  1.0
[/CIF]
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The crystal structure described by Lu6Ni2Sn crystallizes in the orthorhombic Immm space group. There are three inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 4-coordinate geometry to one Ni(2), two equivalent Ni(1), and one Sn(2) atom. In the second Lu site, Lu(2) is bonded in a 5-coordinate geometry to one Ni(1), two equivalent Ni(2), one Sn(1), and one Sn(2) atom. In the third Lu site, Lu(3) is bonded in a distorted rectangular see-saw-like geometry to one Ni(1), one Ni(2), one Sn(1), and one Sn(2) atom. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 8-coordinate geometry to two equivalent Lu(2), two equivalent Lu(3), and four equivalent Lu(1) atoms. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to two equivalent Lu(1), two equivalent Lu(3), four equivalent Lu(2), and one Ni(2) atom. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a distorted body-centered cubic geometry to four equivalent Lu(2) and four equivalent Lu(3) atoms. In the second Sn site, Sn(2) is bonded in a cuboctahedral geometry to four equivalent Lu(1), four equivalent Lu(2), and four equivalent Lu(3) atoms. is represented by the CIF card [CIF]
data_Lu6Ni2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.228
_cell_length_b   8.228
_cell_length_c   8.228
_cell_angle_alpha   112.629
_cell_angle_beta   110.234
_cell_angle_gamma   105.628
_symmetry_Int_Tables_number   1
_cell_volume   427.195
_cell_formula_units_Z   2
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
  Lu  Lu0  1  0.674  0.866  0.192  1.0
  Lu  Lu1  1  0.326  0.518  0.192  1.0
  Lu  Lu2  1  0.817  0.792  0.609  1.0
  Lu  Lu3  1  0.183  0.792  0.975  1.0
  Lu  Lu4  1  0.817  0.208  0.025  1.0
  Lu  Lu5  1  0.183  0.208  0.391  1.0
  Lu  Lu6  1  0.674  0.482  0.808  1.0
  Lu  Lu7  1  0.326  0.134  0.808  1.0
  Lu  Lu8  1  0.559  0.266  0.293  1.0
  Lu  Lu9  1  0.441  0.734  0.707  1.0
  Lu  Lu10  1  0.028  0.734  0.293  1.0
  Lu  Lu11  1  0.972  0.266  0.707  1.0
  Ni  Ni12  1  0.349  0.500  0.849  1.0
  Ni  Ni13  1  0.651  0.500  0.151  1.0
  Ni  Ni14  1  0.875  0.875  0.000  1.0
  Ni  Ni15  1  0.125  0.125  0.000  1.0
  Sn  Sn16  1  0.000  0.500  0.500  1.0
  Sn  Sn17  1  0.500  0.000  0.500  1.0
[/CIF]
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