The compound described by LuNiSn4 crystallizes in the orthorhombic Cmmm space group. Lu(1) is bonded in a 10-coordinate geometry to two equivalent Sn(4), two equivalent Sn(5), and six equivalent Sn(3) atoms. Ni(1) is bonded in a distorted body-centered cubic geometry to two equivalent Sn(1), two equivalent Sn(2), two equivalent Sn(4), and two equivalent Sn(5) atoms. There are five inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 4-coordinate geometry to four equivalent Ni(1) atoms. In the second Sn site, Sn(2) is bonded in a 4-coordinate geometry to four equivalent Ni(1) atoms. In the third Sn site, Sn(3) is bonded in a 8-coordinate geometry to six equivalent Lu(1) and two equivalent Sn(3) atoms. In the fourth Sn site, Sn(4) is bonded in a 4-coordinate geometry to two equivalent Lu(1) and two equivalent Ni(1) atoms. In the fifth Sn site, Sn(5) is bonded in a 4-coordinate geometry to two equivalent Lu(1) and two equivalent Ni(1) atoms. is represented by the CIF card [CIF]
data_LuNiSn4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.275
_cell_length_b   14.275
_cell_length_c   4.451
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   162.120
_symmetry_Int_Tables_number   1
_cell_volume   278.457
_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  0.694  0.306  0.000  1.0
  Lu  Lu1  1  0.306  0.694  0.000  1.0
  Ni  Ni2  1  0.947  0.053  0.500  1.0
  Ni  Ni3  1  0.053  0.947  0.500  1.0
  Sn  Sn4  1  0.500  0.500  0.500  1.0
  Sn  Sn5  1  0.000  0.000  0.000  1.0
  Sn  Sn6  1  0.787  0.213  0.500  1.0
  Sn  Sn7  1  0.213  0.787  0.500  1.0
  Sn  Sn8  1  0.389  0.611  0.500  1.0
  Sn  Sn9  1  0.611  0.389  0.500  1.0
  Sn  Sn10  1  0.889  0.111  0.000  1.0
  Sn  Sn11  1  0.111  0.889  0.000  1.0
[/CIF]
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The compound described by LuNiSn4 crystallizes in the orthorhombic Cmmm space group. Lu(1) is bonded in a 10-coordinate geometry to two equivalent Sn(4), two equivalent Sn(5), and six equivalent Sn(3) atoms. Ni(1) is bonded in a distorted body-centered cubic geometry to two equivalent Sn(1), two equivalent Sn(2), two equivalent Sn(4), and two equivalent Sn(5) atoms. There are five inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 4-coordinate geometry to four equivalent Ni(1) atoms. In the second Sn site, Sn(2) is bonded in a 4-coordinate geometry to four equivalent Ni(1) atoms. In the third Sn site, Sn(3) is bonded in a 8-coordinate geometry to six equivalent Lu(1) and two equivalent Sn(3) atoms. In the fourth Sn site, Sn(4) is bonded in a 4-coordinate geometry to two equivalent Lu(1) and two equivalent Ni(1) atoms. In the fifth Sn site, Sn(5) is bonded in a 4-coordinate geometry to two equivalent Lu(1) and two equivalent Ni(1) atoms. is represented by the CIF card [CIF]
data_LuNiSn4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.275
_cell_length_b   14.275
_cell_length_c   4.451
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   162.120
_symmetry_Int_Tables_number   1
_cell_volume   278.457
_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  0.694  0.306  0.000  1.0
  Lu  Lu1  1  0.306  0.694  0.000  1.0
  Ni  Ni2  1  0.947  0.053  0.500  1.0
  Ni  Ni3  1  0.053  0.947  0.500  1.0
  Sn  Sn4  1  0.500  0.500  0.500  1.0
  Sn  Sn5  1  0.000  0.000  0.000  1.0
  Sn  Sn6  1  0.787  0.213  0.500  1.0
  Sn  Sn7  1  0.213  0.787  0.500  1.0
  Sn  Sn8  1  0.389  0.611  0.500  1.0
  Sn  Sn9  1  0.611  0.389  0.500  1.0
  Sn  Sn10  1  0.889  0.111  0.000  1.0
  Sn  Sn11  1  0.111  0.889  0.000  1.0
[/CIF]
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