The compound described by LuNiGe2 crystallizes in the orthorhombic Immm space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 14-coordinate geometry to four equivalent Ni(1), two equivalent Ge(1), four equivalent Ge(2), and four equivalent Ge(3) atoms. In the second Lu site, Lu(2) is bonded in a 8-coordinate geometry to six equivalent Ni(1), two equivalent Ge(3), and six equivalent Ge(1) atoms. Ni(1) is bonded in a 10-coordinate geometry to two equivalent Lu(1), three equivalent Lu(2), one Ge(2), one Ge(3), and three equivalent Ge(1) atoms. There are three inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 8-coordinate geometry to one Lu(1), three equivalent Lu(2), three equivalent Ni(1), and one Ge(1) atom. In the second Ge site, Ge(2) is bonded in a 7-coordinate geometry to four equivalent Lu(1), two equivalent Ni(1), and one Ge(2) atom. In the third Ge site, Ge(3) is bonded in a 9-coordinate geometry to two equivalent Lu(2), four equivalent Lu(1), two equivalent Ni(1), and one Ge(3) atom. is represented by the CIF card [CIF]
data_LuNiGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.087
_cell_length_b   8.370
_cell_length_c   9.127
_cell_angle_alpha   117.293
_cell_angle_beta   102.938
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   268.472
_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  0.500  0.238  0.000  1.0
  Lu  Lu1  1  0.500  0.762  0.000  1.0
  Lu  Lu2  1  0.296  0.796  0.593  1.0
  Lu  Lu3  1  0.704  0.204  0.407  1.0
  Ni  Ni4  1  0.148  0.898  0.295  1.0
  Ni  Ni5  1  0.852  0.102  0.705  1.0
  Ni  Ni6  1  0.148  0.397  0.295  1.0
  Ni  Ni7  1  0.852  0.603  0.705  1.0
  Ge  Ge8  1  0.303  0.144  0.606  1.0
  Ge  Ge9  1  0.079  0.579  0.157  1.0
  Ge  Ge10  1  0.077  0.077  0.154  1.0
  Ge  Ge11  1  0.697  0.856  0.394  1.0
  Ge  Ge12  1  0.923  0.923  0.846  1.0
  Ge  Ge13  1  0.303  0.461  0.606  1.0
  Ge  Ge14  1  0.921  0.421  0.843  1.0
  Ge  Ge15  1  0.697  0.539  0.394  1.0
[/CIF]
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The compound described by LuNiGe2 crystallizes in the orthorhombic Immm space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 14-coordinate geometry to four equivalent Ni(1), two equivalent Ge(1), four equivalent Ge(2), and four equivalent Ge(3) atoms. In the second Lu site, Lu(2) is bonded in a 8-coordinate geometry to six equivalent Ni(1), two equivalent Ge(3), and six equivalent Ge(1) atoms. Ni(1) is bonded in a 10-coordinate geometry to two equivalent Lu(1), three equivalent Lu(2), one Ge(2), one Ge(3), and three equivalent Ge(1) atoms. There are three inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 8-coordinate geometry to one Lu(1), three equivalent Lu(2), three equivalent Ni(1), and one Ge(1) atom. In the second Ge site, Ge(2) is bonded in a 7-coordinate geometry to four equivalent Lu(1), two equivalent Ni(1), and one Ge(2) atom. In the third Ge site, Ge(3) is bonded in a 9-coordinate geometry to two equivalent Lu(2), four equivalent Lu(1), two equivalent Ni(1), and one Ge(3) atom. is represented by the CIF card [CIF]
data_LuNiGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.087
_cell_length_b   8.370
_cell_length_c   9.127
_cell_angle_alpha   117.293
_cell_angle_beta   102.938
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   268.472
_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  0.500  0.238  0.000  1.0
  Lu  Lu1  1  0.500  0.762  0.000  1.0
  Lu  Lu2  1  0.296  0.796  0.593  1.0
  Lu  Lu3  1  0.704  0.204  0.407  1.0
  Ni  Ni4  1  0.148  0.898  0.295  1.0
  Ni  Ni5  1  0.852  0.102  0.705  1.0
  Ni  Ni6  1  0.148  0.397  0.295  1.0
  Ni  Ni7  1  0.852  0.603  0.705  1.0
  Ge  Ge8  1  0.303  0.144  0.606  1.0
  Ge  Ge9  1  0.079  0.579  0.157  1.0
  Ge  Ge10  1  0.077  0.077  0.154  1.0
  Ge  Ge11  1  0.697  0.856  0.394  1.0
  Ge  Ge12  1  0.923  0.923  0.846  1.0
  Ge  Ge13  1  0.303  0.461  0.606  1.0
  Ge  Ge14  1  0.921  0.421  0.843  1.0
  Ge  Ge15  1  0.697  0.539  0.394  1.0
[/CIF]
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