The compound described by YNiGa3Ge crystallizes in the tetragonal I4mm space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 16-coordinate geometry to four equivalent Ni(2), four equivalent Ga(1), four equivalent Ga(2), and four equivalent Ge(2) atoms. In the second Y site, Y(2) is bonded to four equivalent Ga(1), four equivalent Ga(3), and four equivalent Ge(1) atoms to form distorted YGa8Ge4 cuboctahedra that share corners with four equivalent Y(2)Ga8Ge4 cuboctahedra, faces with four equivalent Y(2)Ga8Ge4 cuboctahedra, and faces with four equivalent Ge(1)Y4Ga8 cuboctahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a body-centered cubic geometry to four equivalent Ga(2) and four equivalent Ga(3) atoms. In the second Ni site, Ni(2) is bonded in a 5-coordinate geometry to four equivalent Y(1), four equivalent Ga(1), and one Ge(2) atom. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 2-coordinate geometry to two equivalent Y(1), two equivalent Y(2), two equivalent Ni(2), and two equivalent Ge(1) atoms. In the second Ga site, Ga(2) is bonded in a 11-coordinate geometry to two equivalent Y(1), two equivalent Ni(1), one Ga(3), four equivalent Ga(2), and two equivalent Ge(2) atoms. In the third Ga site, Ga(3) is bonded in a 11-coordinate geometry to two equivalent Y(2), two equivalent Ni(1), one Ga(2), four equivalent Ga(3), and two equivalent Ge(1) atoms. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to four equivalent Y(2), four equivalent Ga(1), and four equivalent Ga(3) atoms to form distorted GeY4Ga8 cuboctahedra that share corners with four equivalent Ge(1)Y4Ga8 cuboctahedra, faces with four equivalent Y(2)Ga8Ge4 cuboctahedra, and faces with four equivalent Ge(1)Y4Ga8 cuboctahedra. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to four equivalent Y(1), one Ni(2), and four equivalent Ga(2) atoms. is represented by the CIF card [CIF]
data_YGa3NiGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.420
_cell_length_b   12.420
_cell_length_c   12.420
_cell_angle_alpha   160.496
_cell_angle_beta   160.496
_cell_angle_gamma   27.719
_symmetry_Int_Tables_number   1
_cell_volume   213.463
_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
  Y  Y0  1  0.847  0.847  0.000  1.0
  Y  Y1  1  0.144  0.144  0.000  1.0
  Ga  Ga2  1  0.739  0.239  0.500  1.0
  Ga  Ga3  1  0.239  0.739  0.500  1.0
  Ga  Ga4  1  0.947  0.447  0.500  1.0
  Ga  Ga5  1  0.447  0.947  0.500  1.0
  Ga  Ga6  1  0.056  0.556  0.500  1.0
  Ga  Ga7  1  0.556  0.056  0.500  1.0
  Ni  Ni8  1  0.001  0.001  0.000  1.0
  Ni  Ni9  1  0.282  0.282  0.000  1.0
  Ge  Ge10  1  0.649  0.649  0.000  1.0
  Ge  Ge11  1  0.376  0.376  0.000  1.0
[/CIF]
.
The compound described by YNiGa3Ge crystallizes in the tetragonal I4mm space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 16-coordinate geometry to four equivalent Ni(2), four equivalent Ga(1), four equivalent Ga(2), and four equivalent Ge(2) atoms. In the second Y site, Y(2) is bonded to four equivalent Ga(1), four equivalent Ga(3), and four equivalent Ge(1) atoms to form distorted YGa8Ge4 cuboctahedra that share corners with four equivalent Y(2)Ga8Ge4 cuboctahedra, faces with four equivalent Y(2)Ga8Ge4 cuboctahedra, and faces with four equivalent Ge(1)Y4Ga8 cuboctahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a body-centered cubic geometry to four equivalent Ga(2) and four equivalent Ga(3) atoms. In the second Ni site, Ni(2) is bonded in a 5-coordinate geometry to four equivalent Y(1), four equivalent Ga(1), and one Ge(2) atom. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 2-coordinate geometry to two equivalent Y(1), two equivalent Y(2), two equivalent Ni(2), and two equivalent Ge(1) atoms. In the second Ga site, Ga(2) is bonded in a 11-coordinate geometry to two equivalent Y(1), two equivalent Ni(1), one Ga(3), four equivalent Ga(2), and two equivalent Ge(2) atoms. In the third Ga site, Ga(3) is bonded in a 11-coordinate geometry to two equivalent Y(2), two equivalent Ni(1), one Ga(2), four equivalent Ga(3), and two equivalent Ge(1) atoms. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to four equivalent Y(2), four equivalent Ga(1), and four equivalent Ga(3) atoms to form distorted GeY4Ga8 cuboctahedra that share corners with four equivalent Ge(1)Y4Ga8 cuboctahedra, faces with four equivalent Y(2)Ga8Ge4 cuboctahedra, and faces with four equivalent Ge(1)Y4Ga8 cuboctahedra. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to four equivalent Y(1), one Ni(2), and four equivalent Ga(2) atoms. is represented by the CIF card [CIF]
data_YGa3NiGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.420
_cell_length_b   12.420
_cell_length_c   12.420
_cell_angle_alpha   160.496
_cell_angle_beta   160.496
_cell_angle_gamma   27.719
_symmetry_Int_Tables_number   1
_cell_volume   213.463
_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
  Y  Y0  1  0.847  0.847  0.000  1.0
  Y  Y1  1  0.144  0.144  0.000  1.0
  Ga  Ga2  1  0.739  0.239  0.500  1.0
  Ga  Ga3  1  0.239  0.739  0.500  1.0
  Ga  Ga4  1  0.947  0.447  0.500  1.0
  Ga  Ga5  1  0.447  0.947  0.500  1.0
  Ga  Ga6  1  0.056  0.556  0.500  1.0
  Ga  Ga7  1  0.556  0.056  0.500  1.0
  Ni  Ni8  1  0.001  0.001  0.000  1.0
  Ni  Ni9  1  0.282  0.282  0.000  1.0
  Ge  Ge10  1  0.649  0.649  0.000  1.0
  Ge  Ge11  1  0.376  0.376  0.000  1.0
[/CIF]
.