The structure described by LuNi5Sn crystallizes in the orthorhombic Pnma space group. Lu(1) is bonded in a 19-coordinate geometry to three equivalent Ni(1), three equivalent Ni(2), three equivalent Ni(3), six equivalent Ni(4), and four equivalent Sn(1) atoms. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 9-coordinate geometry to three equivalent Lu(1), one Ni(2), four equivalent Ni(4), and one Sn(1) atom. In the second Ni site, Ni(2) is bonded to three equivalent Lu(1), one Ni(1), two equivalent Ni(3), four equivalent Ni(4), and two equivalent Sn(1) atoms to form a mixture of distorted edge, face, and corner-sharing NiLu3Ni7Sn2 cuboctahedra. In the third Ni site, Ni(3) is bonded in a 10-coordinate geometry to three equivalent Lu(1), two equivalent Ni(2), two equivalent Ni(4), and three equivalent Sn(1) atoms. In the fourth Ni site, Ni(4) is bonded to three equivalent Lu(1), one Ni(3), two equivalent Ni(1), two equivalent Ni(2), two equivalent Ni(4), and two equivalent Sn(1) atoms to form a mixture of edge, face, and corner-sharing NiLu3Ni7Sn2 cuboctahedra. Sn(1) is bonded in a 14-coordinate geometry to four equivalent Lu(1), one Ni(1), two equivalent Ni(2), three equivalent Ni(3), and four equivalent Ni(4) atoms. is represented by the CIF card [CIF]
data_LuNi5Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.778
_cell_length_b   7.903
_cell_length_c   10.103
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   381.549
_cell_formula_units_Z   4
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  0.750  0.246  0.560  1.0
  Lu  Lu1  1  0.250  0.254  0.060  1.0
  Lu  Lu2  1  0.750  0.746  0.940  1.0
  Lu  Lu3  1  0.250  0.754  0.440  1.0
  Ni  Ni4  1  0.750  0.914  0.483  1.0
  Ni  Ni5  1  0.250  0.586  0.983  1.0
  Ni  Ni6  1  0.750  0.414  0.017  1.0
  Ni  Ni7  1  0.250  0.086  0.517  1.0
  Ni  Ni8  1  0.250  0.189  0.742  1.0
  Ni  Ni9  1  0.750  0.311  0.242  1.0
  Ni  Ni10  1  0.250  0.689  0.758  1.0
  Ni  Ni11  1  0.750  0.811  0.258  1.0
  Ni  Ni12  1  0.750  0.547  0.401  1.0
  Ni  Ni13  1  0.250  0.953  0.901  1.0
  Ni  Ni14  1  0.750  0.047  0.099  1.0
  Ni  Ni15  1  0.250  0.453  0.599  1.0
  Ni  Ni16  1  0.499  0.066  0.310  1.0
  Ni  Ni17  1  0.501  0.434  0.810  1.0
  Ni  Ni18  1  0.001  0.566  0.190  1.0
  Ni  Ni19  1  0.999  0.934  0.690  1.0
  Ni  Ni20  1  0.501  0.934  0.690  1.0
  Ni  Ni21  1  0.499  0.566  0.190  1.0
  Ni  Ni22  1  0.999  0.434  0.810  1.0
  Ni  Ni23  1  0.001  0.066  0.310  1.0
  Sn  Sn24  1  0.750  0.640  0.639  1.0
  Sn  Sn25  1  0.250  0.860  0.139  1.0
  Sn  Sn26  1  0.750  0.140  0.861  1.0
  Sn  Sn27  1  0.250  0.360  0.361  1.0
[/CIF]
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The structure described by LuNi5Sn crystallizes in the orthorhombic Pnma space group. Lu(1) is bonded in a 19-coordinate geometry to three equivalent Ni(1), three equivalent Ni(2), three equivalent Ni(3), six equivalent Ni(4), and four equivalent Sn(1) atoms. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 9-coordinate geometry to three equivalent Lu(1), one Ni(2), four equivalent Ni(4), and one Sn(1) atom. In the second Ni site, Ni(2) is bonded to three equivalent Lu(1), one Ni(1), two equivalent Ni(3), four equivalent Ni(4), and two equivalent Sn(1) atoms to form a mixture of distorted edge, face, and corner-sharing NiLu3Ni7Sn2 cuboctahedra. In the third Ni site, Ni(3) is bonded in a 10-coordinate geometry to three equivalent Lu(1), two equivalent Ni(2), two equivalent Ni(4), and three equivalent Sn(1) atoms. In the fourth Ni site, Ni(4) is bonded to three equivalent Lu(1), one Ni(3), two equivalent Ni(1), two equivalent Ni(2), two equivalent Ni(4), and two equivalent Sn(1) atoms to form a mixture of edge, face, and corner-sharing NiLu3Ni7Sn2 cuboctahedra. Sn(1) is bonded in a 14-coordinate geometry to four equivalent Lu(1), one Ni(1), two equivalent Ni(2), three equivalent Ni(3), and four equivalent Ni(4) atoms. is represented by the CIF card [CIF]
data_LuNi5Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.778
_cell_length_b   7.903
_cell_length_c   10.103
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   381.549
_cell_formula_units_Z   4
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  0.750  0.246  0.560  1.0
  Lu  Lu1  1  0.250  0.254  0.060  1.0
  Lu  Lu2  1  0.750  0.746  0.940  1.0
  Lu  Lu3  1  0.250  0.754  0.440  1.0
  Ni  Ni4  1  0.750  0.914  0.483  1.0
  Ni  Ni5  1  0.250  0.586  0.983  1.0
  Ni  Ni6  1  0.750  0.414  0.017  1.0
  Ni  Ni7  1  0.250  0.086  0.517  1.0
  Ni  Ni8  1  0.250  0.189  0.742  1.0
  Ni  Ni9  1  0.750  0.311  0.242  1.0
  Ni  Ni10  1  0.250  0.689  0.758  1.0
  Ni  Ni11  1  0.750  0.811  0.258  1.0
  Ni  Ni12  1  0.750  0.547  0.401  1.0
  Ni  Ni13  1  0.250  0.953  0.901  1.0
  Ni  Ni14  1  0.750  0.047  0.099  1.0
  Ni  Ni15  1  0.250  0.453  0.599  1.0
  Ni  Ni16  1  0.499  0.066  0.310  1.0
  Ni  Ni17  1  0.501  0.434  0.810  1.0
  Ni  Ni18  1  0.001  0.566  0.190  1.0
  Ni  Ni19  1  0.999  0.934  0.690  1.0
  Ni  Ni20  1  0.501  0.934  0.690  1.0
  Ni  Ni21  1  0.499  0.566  0.190  1.0
  Ni  Ni22  1  0.999  0.434  0.810  1.0
  Ni  Ni23  1  0.001  0.066  0.310  1.0
  Sn  Sn24  1  0.750  0.640  0.639  1.0
  Sn  Sn25  1  0.250  0.860  0.139  1.0
  Sn  Sn26  1  0.750  0.140  0.861  1.0
  Sn  Sn27  1  0.250  0.360  0.361  1.0
[/CIF]
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