The crystal structure described by LuNiSn2 is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pnma space group. There are three inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 13-coordinate geometry to two equivalent Ni(1), two equivalent Ni(2), one Sn(3), one Sn(4), two equivalent Sn(1), two equivalent Sn(2), and three equivalent Sn(5) atoms. In the second Lu site, Lu(2) is bonded in a 11-coordinate geometry to one Ni(2), two equivalent Ni(3), one Sn(4), one Sn(5), one Sn(6), two equivalent Sn(1), two equivalent Sn(2), and two equivalent Sn(3) atoms. In the third Lu site, Lu(3) is bonded in a 14-coordinate geometry to one Ni(1), two equivalent Ni(2), three equivalent Ni(3), one Sn(3), two equivalent Sn(1), two equivalent Sn(4), and three equivalent Sn(6) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 7-coordinate geometry to one Lu(3), two equivalent Lu(1), one Sn(1), one Sn(2), one Sn(3), and two equivalent Sn(4) atoms. In the second Ni site, Ni(2) is bonded in a 10-coordinate geometry to one Lu(2), two equivalent Lu(1), two equivalent Lu(3), one Sn(1), one Sn(4), one Sn(5), and two equivalent Sn(3) atoms. In the third Ni site, Ni(3) is bonded in a 10-coordinate geometry to two equivalent Lu(2), three equivalent Lu(3), one Sn(1), one Sn(2), and three equivalent Sn(6) atoms. There are six inequivalent Sn sites. In the first Sn site, Sn(4) is bonded in a 8-coordinate geometry to one Lu(1), one Lu(2), two equivalent Lu(3), one Ni(2), two equivalent Ni(1), and one Sn(6) atom. In the second Sn site, Sn(5) is bonded in a 2-coordinate geometry to one Lu(2), three equivalent Lu(1), and one Ni(2) atom. In the third Sn site, Sn(6) is bonded in a 8-coordinate geometry to one Lu(2), three equivalent Lu(3), three equivalent Ni(3), and one Sn(4) atom. In the fourth Sn site, Sn(1) is bonded in a 9-coordinate geometry to two equivalent Lu(1), two equivalent Lu(2), two equivalent Lu(3), one Ni(1), one Ni(2), and one Ni(3) atom. In the fifth Sn site, Sn(2) is bonded in a 6-coordinate geometry to two equivalent Lu(1), two equivalent Lu(2), one Ni(1), and one Ni(3) atom. In the sixth Sn site, Sn(3) is bonded in a 7-coordinate geometry to one Lu(1), one Lu(3), two equivalent Lu(2), one Ni(1), and two equivalent Ni(2) atoms. is represented by the CIF card [CIF]
data_LuNiSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.409
_cell_length_b   14.423
_cell_length_c   16.086
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1022.901
_cell_formula_units_Z   12
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  0.250  0.401  0.648  1.0
  Lu  Lu1  1  0.750  0.599  0.352  1.0
  Lu  Lu2  1  0.750  0.901  0.852  1.0
  Lu  Lu3  1  0.250  0.099  0.148  1.0
  Lu  Lu4  1  0.250  0.278  0.871  1.0
  Lu  Lu5  1  0.750  0.722  0.129  1.0
  Lu  Lu6  1  0.750  0.778  0.629  1.0
  Lu  Lu7  1  0.250  0.222  0.371  1.0
  Lu  Lu8  1  0.250  0.970  0.349  1.0
  Lu  Lu9  1  0.750  0.030  0.651  1.0
  Lu  Lu10  1  0.750  0.470  0.151  1.0
  Lu  Lu11  1  0.250  0.530  0.849  1.0
  Ni  Ni12  1  0.750  0.239  0.189  1.0
  Ni  Ni13  1  0.250  0.050  0.800  1.0
  Ni  Ni14  1  0.750  0.950  0.200  1.0
  Ni  Ni15  1  0.750  0.550  0.700  1.0
  Ni  Ni16  1  0.250  0.450  0.300  1.0
  Ni  Ni17  1  0.250  0.739  0.311  1.0
  Ni  Ni18  1  0.750  0.261  0.689  1.0
  Ni  Ni19  1  0.250  0.761  0.811  1.0
  Ni  Ni20  1  0.250  0.607  0.054  1.0
  Ni  Ni21  1  0.750  0.393  0.946  1.0
  Ni  Ni22  1  0.750  0.107  0.446  1.0
  Ni  Ni23  1  0.250  0.893  0.554  1.0
  Sn  Sn24  1  0.250  0.899  0.715  1.0
  Sn  Sn25  1  0.750  0.101  0.285  1.0
  Sn  Sn26  1  0.750  0.399  0.785  1.0
  Sn  Sn27  1  0.250  0.601  0.215  1.0
  Sn  Sn28  1  0.250  0.767  0.972  1.0
  Sn  Sn29  1  0.250  0.864  0.176  1.0
  Sn  Sn30  1  0.750  0.233  0.028  1.0
  Sn  Sn31  1  0.750  0.267  0.528  1.0
  Sn  Sn32  1  0.250  0.733  0.472  1.0
  Sn  Sn33  1  0.250  0.636  0.676  1.0
  Sn  Sn34  1  0.750  0.364  0.324  1.0
  Sn  Sn35  1  0.750  0.136  0.824  1.0
  Sn  Sn36  1  0.250  0.320  0.182  1.0
  Sn  Sn37  1  0.750  0.680  0.818  1.0
  Sn  Sn38  1  0.750  0.820  0.318  1.0
  Sn  Sn39  1  0.250  0.180  0.682  1.0
  Sn  Sn40  1  0.250  0.443  0.459  1.0
  Sn  Sn41  1  0.750  0.557  0.541  1.0
  Sn  Sn42  1  0.750  0.943  0.041  1.0
  Sn  Sn43  1  0.250  0.057  0.959  1.0
  Sn  Sn44  1  0.250  0.422  0.020  1.0
  Sn  Sn45  1  0.750  0.578  0.980  1.0
  Sn  Sn46  1  0.750  0.922  0.480  1.0
  Sn  Sn47  1  0.250  0.078  0.520  1.0
[/CIF]
.
The crystal structure described by LuNiSn2 is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pnma space group. There are three inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 13-coordinate geometry to two equivalent Ni(1), two equivalent Ni(2), one Sn(3), one Sn(4), two equivalent Sn(1), two equivalent Sn(2), and three equivalent Sn(5) atoms. In the second Lu site, Lu(2) is bonded in a 11-coordinate geometry to one Ni(2), two equivalent Ni(3), one Sn(4), one Sn(5), one Sn(6), two equivalent Sn(1), two equivalent Sn(2), and two equivalent Sn(3) atoms. In the third Lu site, Lu(3) is bonded in a 14-coordinate geometry to one Ni(1), two equivalent Ni(2), three equivalent Ni(3), one Sn(3), two equivalent Sn(1), two equivalent Sn(4), and three equivalent Sn(6) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 7-coordinate geometry to one Lu(3), two equivalent Lu(1), one Sn(1), one Sn(2), one Sn(3), and two equivalent Sn(4) atoms. In the second Ni site, Ni(2) is bonded in a 10-coordinate geometry to one Lu(2), two equivalent Lu(1), two equivalent Lu(3), one Sn(1), one Sn(4), one Sn(5), and two equivalent Sn(3) atoms. In the third Ni site, Ni(3) is bonded in a 10-coordinate geometry to two equivalent Lu(2), three equivalent Lu(3), one Sn(1), one Sn(2), and three equivalent Sn(6) atoms. There are six inequivalent Sn sites. In the first Sn site, Sn(4) is bonded in a 8-coordinate geometry to one Lu(1), one Lu(2), two equivalent Lu(3), one Ni(2), two equivalent Ni(1), and one Sn(6) atom. In the second Sn site, Sn(5) is bonded in a 2-coordinate geometry to one Lu(2), three equivalent Lu(1), and one Ni(2) atom. In the third Sn site, Sn(6) is bonded in a 8-coordinate geometry to one Lu(2), three equivalent Lu(3), three equivalent Ni(3), and one Sn(4) atom. In the fourth Sn site, Sn(1) is bonded in a 9-coordinate geometry to two equivalent Lu(1), two equivalent Lu(2), two equivalent Lu(3), one Ni(1), one Ni(2), and one Ni(3) atom. In the fifth Sn site, Sn(2) is bonded in a 6-coordinate geometry to two equivalent Lu(1), two equivalent Lu(2), one Ni(1), and one Ni(3) atom. In the sixth Sn site, Sn(3) is bonded in a 7-coordinate geometry to one Lu(1), one Lu(3), two equivalent Lu(2), one Ni(1), and two equivalent Ni(2) atoms. is represented by the CIF card [CIF]
data_LuNiSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.409
_cell_length_b   14.423
_cell_length_c   16.086
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1022.901
_cell_formula_units_Z   12
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  0.250  0.401  0.648  1.0
  Lu  Lu1  1  0.750  0.599  0.352  1.0
  Lu  Lu2  1  0.750  0.901  0.852  1.0
  Lu  Lu3  1  0.250  0.099  0.148  1.0
  Lu  Lu4  1  0.250  0.278  0.871  1.0
  Lu  Lu5  1  0.750  0.722  0.129  1.0
  Lu  Lu6  1  0.750  0.778  0.629  1.0
  Lu  Lu7  1  0.250  0.222  0.371  1.0
  Lu  Lu8  1  0.250  0.970  0.349  1.0
  Lu  Lu9  1  0.750  0.030  0.651  1.0
  Lu  Lu10  1  0.750  0.470  0.151  1.0
  Lu  Lu11  1  0.250  0.530  0.849  1.0
  Ni  Ni12  1  0.750  0.239  0.189  1.0
  Ni  Ni13  1  0.250  0.050  0.800  1.0
  Ni  Ni14  1  0.750  0.950  0.200  1.0
  Ni  Ni15  1  0.750  0.550  0.700  1.0
  Ni  Ni16  1  0.250  0.450  0.300  1.0
  Ni  Ni17  1  0.250  0.739  0.311  1.0
  Ni  Ni18  1  0.750  0.261  0.689  1.0
  Ni  Ni19  1  0.250  0.761  0.811  1.0
  Ni  Ni20  1  0.250  0.607  0.054  1.0
  Ni  Ni21  1  0.750  0.393  0.946  1.0
  Ni  Ni22  1  0.750  0.107  0.446  1.0
  Ni  Ni23  1  0.250  0.893  0.554  1.0
  Sn  Sn24  1  0.250  0.899  0.715  1.0
  Sn  Sn25  1  0.750  0.101  0.285  1.0
  Sn  Sn26  1  0.750  0.399  0.785  1.0
  Sn  Sn27  1  0.250  0.601  0.215  1.0
  Sn  Sn28  1  0.250  0.767  0.972  1.0
  Sn  Sn29  1  0.250  0.864  0.176  1.0
  Sn  Sn30  1  0.750  0.233  0.028  1.0
  Sn  Sn31  1  0.750  0.267  0.528  1.0
  Sn  Sn32  1  0.250  0.733  0.472  1.0
  Sn  Sn33  1  0.250  0.636  0.676  1.0
  Sn  Sn34  1  0.750  0.364  0.324  1.0
  Sn  Sn35  1  0.750  0.136  0.824  1.0
  Sn  Sn36  1  0.250  0.320  0.182  1.0
  Sn  Sn37  1  0.750  0.680  0.818  1.0
  Sn  Sn38  1  0.750  0.820  0.318  1.0
  Sn  Sn39  1  0.250  0.180  0.682  1.0
  Sn  Sn40  1  0.250  0.443  0.459  1.0
  Sn  Sn41  1  0.750  0.557  0.541  1.0
  Sn  Sn42  1  0.750  0.943  0.041  1.0
  Sn  Sn43  1  0.250  0.057  0.959  1.0
  Sn  Sn44  1  0.250  0.422  0.020  1.0
  Sn  Sn45  1  0.750  0.578  0.980  1.0
  Sn  Sn46  1  0.750  0.922  0.480  1.0
  Sn  Sn47  1  0.250  0.078  0.520  1.0
[/CIF]
.