The material described by Y2NiGe3 is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Pmm2 space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to two equivalent Ni(1), two equivalent Ge(3), four equivalent Ge(1), and four equivalent Ge(2) atoms to form YNi2Ge10 cuboctahedra that share edges with four equivalent Y(1)Ni2Ge10 cuboctahedra, edges with eight equivalent Y(2)Ni4Ge8 cuboctahedra, faces with four equivalent Y(1)Ni2Ge10 cuboctahedra, and faces with four equivalent Y(2)Ni4Ge8 cuboctahedra. In the second Y site, Y(2) is bonded to four equivalent Ni(1), two equivalent Ge(1), two equivalent Ge(2), and four equivalent Ge(3) atoms to form YNi4Ge8 cuboctahedra that share edges with four equivalent Y(2)Ni4Ge8 cuboctahedra, edges with eight equivalent Y(1)Ni2Ge10 cuboctahedra, faces with four equivalent Y(1)Ni2Ge10 cuboctahedra, and faces with four equivalent Y(2)Ni4Ge8 cuboctahedra. Ni(1) is bonded in a 9-coordinate geometry to two equivalent Y(1), four equivalent Y(2), one Ge(3), and two equivalent Ge(2) atoms. There are three inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 9-coordinate geometry to two equivalent Y(2), four equivalent Y(1), one Ge(2), and two equivalent Ge(3) atoms. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to two equivalent Y(2), four equivalent Y(1), two equivalent Ni(1), and one Ge(1) atom. In the third Ge site, Ge(3) is bonded in a 9-coordinate geometry to two equivalent Y(1), four equivalent Y(2), one Ni(1), and two equivalent Ge(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y2NiGe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.041
_cell_length_b   4.187
_cell_length_c   7.022
_cell_angle_alpha   90.005
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   118.821
_cell_formula_units_Z   1
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  0.000  1.000  0.005  1.0
  Y  Y1  1  0.000  0.500  0.498  1.0
  Ni  Ni2  1  0.500  1.000  0.322  1.0
  Ge  Ge3  1  0.500  0.500  0.838  1.0
  Ge  Ge4  1  0.500  0.500  0.190  1.0
  Ge  Ge5  1  0.500  1.000  0.646  1.0
[/CIF]
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The material described by Y2NiGe3 is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Pmm2 space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to two equivalent Ni(1), two equivalent Ge(3), four equivalent Ge(1), and four equivalent Ge(2) atoms to form YNi2Ge10 cuboctahedra that share edges with four equivalent Y(1)Ni2Ge10 cuboctahedra, edges with eight equivalent Y(2)Ni4Ge8 cuboctahedra, faces with four equivalent Y(1)Ni2Ge10 cuboctahedra, and faces with four equivalent Y(2)Ni4Ge8 cuboctahedra. In the second Y site, Y(2) is bonded to four equivalent Ni(1), two equivalent Ge(1), two equivalent Ge(2), and four equivalent Ge(3) atoms to form YNi4Ge8 cuboctahedra that share edges with four equivalent Y(2)Ni4Ge8 cuboctahedra, edges with eight equivalent Y(1)Ni2Ge10 cuboctahedra, faces with four equivalent Y(1)Ni2Ge10 cuboctahedra, and faces with four equivalent Y(2)Ni4Ge8 cuboctahedra. Ni(1) is bonded in a 9-coordinate geometry to two equivalent Y(1), four equivalent Y(2), one Ge(3), and two equivalent Ge(2) atoms. There are three inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 9-coordinate geometry to two equivalent Y(2), four equivalent Y(1), one Ge(2), and two equivalent Ge(3) atoms. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to two equivalent Y(2), four equivalent Y(1), two equivalent Ni(1), and one Ge(1) atom. In the third Ge site, Ge(3) is bonded in a 9-coordinate geometry to two equivalent Y(1), four equivalent Y(2), one Ni(1), and two equivalent Ge(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y2NiGe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.041
_cell_length_b   4.187
_cell_length_c   7.022
_cell_angle_alpha   90.005
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   118.821
_cell_formula_units_Z   1
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  0.000  1.000  0.005  1.0
  Y  Y1  1  0.000  0.500  0.498  1.0
  Ni  Ni2  1  0.500  1.000  0.322  1.0
  Ge  Ge3  1  0.500  0.500  0.838  1.0
  Ge  Ge4  1  0.500  0.500  0.190  1.0
  Ge  Ge5  1  0.500  1.000  0.646  1.0
[/CIF]
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