The crystal structure described by Sm2NiGe3 is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Pmm2 space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded to two equivalent Ni(1), two equivalent Ge(3), four equivalent Ge(1), and four equivalent Ge(2) atoms to form SmNi2Ge10 cuboctahedra that share edges with four equivalent Sm(1)Ni2Ge10 cuboctahedra, edges with eight equivalent Sm(2)Ni4Ge8 cuboctahedra, faces with four equivalent Sm(1)Ni2Ge10 cuboctahedra, and faces with four equivalent Sm(2)Ni4Ge8 cuboctahedra. In the second Sm site, Sm(2) is bonded to four equivalent Ni(1), two equivalent Ge(1), two equivalent Ge(2), and four equivalent Ge(3) atoms to form SmNi4Ge8 cuboctahedra that share edges with four equivalent Sm(2)Ni4Ge8 cuboctahedra, edges with eight equivalent Sm(1)Ni2Ge10 cuboctahedra, faces with four equivalent Sm(1)Ni2Ge10 cuboctahedra, and faces with four equivalent Sm(2)Ni4Ge8 cuboctahedra. Ni(1) is bonded in a 9-coordinate geometry to two equivalent Sm(1), four equivalent Sm(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 Sm(2), four equivalent Sm(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 Sm(2), four equivalent Sm(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 Sm(1), four equivalent Sm(2), one Ni(1), and two equivalent Ge(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm2NiGe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.164
_cell_length_b   4.222
_cell_length_c   7.147
_cell_angle_alpha   89.997
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   125.637
_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
  Sm  Sm0  1  0.000  1.000  0.003  1.0
  Sm  Sm1  1  0.000  0.500  0.499  1.0
  Ni  Ni2  1  0.500  0.000  0.324  1.0
  Ge  Ge3  1  0.500  0.500  0.839  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 crystal structure described by Sm2NiGe3 is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Pmm2 space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded to two equivalent Ni(1), two equivalent Ge(3), four equivalent Ge(1), and four equivalent Ge(2) atoms to form SmNi2Ge10 cuboctahedra that share edges with four equivalent Sm(1)Ni2Ge10 cuboctahedra, edges with eight equivalent Sm(2)Ni4Ge8 cuboctahedra, faces with four equivalent Sm(1)Ni2Ge10 cuboctahedra, and faces with four equivalent Sm(2)Ni4Ge8 cuboctahedra. In the second Sm site, Sm(2) is bonded to four equivalent Ni(1), two equivalent Ge(1), two equivalent Ge(2), and four equivalent Ge(3) atoms to form SmNi4Ge8 cuboctahedra that share edges with four equivalent Sm(2)Ni4Ge8 cuboctahedra, edges with eight equivalent Sm(1)Ni2Ge10 cuboctahedra, faces with four equivalent Sm(1)Ni2Ge10 cuboctahedra, and faces with four equivalent Sm(2)Ni4Ge8 cuboctahedra. Ni(1) is bonded in a 9-coordinate geometry to two equivalent Sm(1), four equivalent Sm(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 Sm(2), four equivalent Sm(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 Sm(2), four equivalent Sm(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 Sm(1), four equivalent Sm(2), one Ni(1), and two equivalent Ge(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm2NiGe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.164
_cell_length_b   4.222
_cell_length_c   7.147
_cell_angle_alpha   89.997
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   125.637
_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
  Sm  Sm0  1  0.000  1.000  0.003  1.0
  Sm  Sm1  1  0.000  0.500  0.499  1.0
  Ni  Ni2  1  0.500  0.000  0.324  1.0
  Ge  Ge3  1  0.500  0.500  0.839  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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