The material described by Ni4GaGe3 crystallizes in the orthorhombic Pmc2_1 space group. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 6-coordinate geometry to two equivalent Ni(2), two equivalent Ga(1), two equivalent Ge(1), and two equivalent Ge(3) atoms. In the second Ni site, Ni(2) is bonded in a 11-coordinate geometry to two equivalent Ni(1), two equivalent Ni(4), two equivalent Ga(1), one Ge(3), two equivalent Ge(1), and two equivalent Ge(2) atoms. In the third Ni site, Ni(3) is bonded in a 6-coordinate geometry to two equivalent Ga(1) and four equivalent Ge(3) atoms. In the fourth Ni site, Ni(4) is bonded in a 10-coordinate geometry to two equivalent Ni(2), two equivalent Ni(4), two equivalent Ge(1), and four equivalent Ge(2) atoms. Ga(1) is bonded in a 8-coordinate geometry to two equivalent Ni(1), two equivalent Ni(2), two equivalent Ni(3), and two 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 two equivalent Ni(1), two equivalent Ni(2), two equivalent Ni(4), and two equivalent Ga(1) atoms. In the second Ge site, Ge(2) is bonded in a 6-coordinate geometry to two equivalent Ni(2) and four equivalent Ni(4) atoms. In the third Ge site, Ge(3) is bonded in a 6-coordinate geometry to one Ni(2), two equivalent Ni(1), and four equivalent Ni(3) atoms. is represented by the CIF card [CIF]
data_GaNi4Ge3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.818
_cell_length_b   4.964
_cell_length_c   11.503
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   217.992
_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
  Ga  Ga0  1  0.500  0.642  0.814  1.0
  Ga  Ga1  1  0.500  0.142  0.186  1.0
  Ni  Ni2  1  0.500  0.141  0.796  1.0
  Ni  Ni3  1  0.500  0.641  0.204  1.0
  Ni  Ni4  1  0.000  0.862  0.701  1.0
  Ni  Ni5  1  0.000  0.362  0.299  1.0
  Ni  Ni6  1  0.500  0.379  0.996  1.0
  Ni  Ni7  1  0.500  0.879  0.004  1.0
  Ni  Ni8  1  0.000  0.620  0.505  1.0
  Ni  Ni9  1  0.000  0.120  0.495  1.0
  Ge  Ge10  1  0.000  0.357  0.687  1.0
  Ge  Ge11  1  0.000  0.857  0.313  1.0
  Ge  Ge12  1  0.500  0.887  0.573  1.0
  Ge  Ge13  1  0.500  0.387  0.427  1.0
  Ge  Ge14  1  0.000  0.111  0.928  1.0
  Ge  Ge15  1  0.000  0.611  0.072  1.0
[/CIF]
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The material described by Ni4GaGe3 crystallizes in the orthorhombic Pmc2_1 space group. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 6-coordinate geometry to two equivalent Ni(2), two equivalent Ga(1), two equivalent Ge(1), and two equivalent Ge(3) atoms. In the second Ni site, Ni(2) is bonded in a 11-coordinate geometry to two equivalent Ni(1), two equivalent Ni(4), two equivalent Ga(1), one Ge(3), two equivalent Ge(1), and two equivalent Ge(2) atoms. In the third Ni site, Ni(3) is bonded in a 6-coordinate geometry to two equivalent Ga(1) and four equivalent Ge(3) atoms. In the fourth Ni site, Ni(4) is bonded in a 10-coordinate geometry to two equivalent Ni(2), two equivalent Ni(4), two equivalent Ge(1), and four equivalent Ge(2) atoms. Ga(1) is bonded in a 8-coordinate geometry to two equivalent Ni(1), two equivalent Ni(2), two equivalent Ni(3), and two 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 two equivalent Ni(1), two equivalent Ni(2), two equivalent Ni(4), and two equivalent Ga(1) atoms. In the second Ge site, Ge(2) is bonded in a 6-coordinate geometry to two equivalent Ni(2) and four equivalent Ni(4) atoms. In the third Ge site, Ge(3) is bonded in a 6-coordinate geometry to one Ni(2), two equivalent Ni(1), and four equivalent Ni(3) atoms. is represented by the CIF card [CIF]
data_GaNi4Ge3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.818
_cell_length_b   4.964
_cell_length_c   11.503
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   217.992
_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
  Ga  Ga0  1  0.500  0.642  0.814  1.0
  Ga  Ga1  1  0.500  0.142  0.186  1.0
  Ni  Ni2  1  0.500  0.141  0.796  1.0
  Ni  Ni3  1  0.500  0.641  0.204  1.0
  Ni  Ni4  1  0.000  0.862  0.701  1.0
  Ni  Ni5  1  0.000  0.362  0.299  1.0
  Ni  Ni6  1  0.500  0.379  0.996  1.0
  Ni  Ni7  1  0.500  0.879  0.004  1.0
  Ni  Ni8  1  0.000  0.620  0.505  1.0
  Ni  Ni9  1  0.000  0.120  0.495  1.0
  Ge  Ge10  1  0.000  0.357  0.687  1.0
  Ge  Ge11  1  0.000  0.857  0.313  1.0
  Ge  Ge12  1  0.500  0.887  0.573  1.0
  Ge  Ge13  1  0.500  0.387  0.427  1.0
  Ge  Ge14  1  0.000  0.111  0.928  1.0
  Ge  Ge15  1  0.000  0.611  0.072  1.0
[/CIF]
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