The material described by NdCrGe3 crystallizes in the hexagonal P6_3/mmc space group. Nd(1) is bonded to twelve equivalent Ge(1) atoms to form distorted NdGe12 cuboctahedra that share corners with six equivalent Nd(1)Ge12 cuboctahedra, corners with six equivalent Cr(1)Ge6 octahedra, faces with eight equivalent Nd(1)Ge12 cuboctahedra, and faces with six equivalent Cr(1)Ge6 octahedra. The corner-sharing octahedral tilt angles are 27°. Cr(1) is bonded to six equivalent Ge(1) atoms to form CrGe6 octahedra that share corners with six equivalent Nd(1)Ge12 cuboctahedra, faces with six equivalent Nd(1)Ge12 cuboctahedra, and faces with two equivalent Cr(1)Ge6 octahedra. Ge(1) is bonded in a 8-coordinate geometry to four equivalent Nd(1), two equivalent Cr(1), and two equivalent Ge(1) atoms. is represented by the CIF card [CIF]
data_NdCrGe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.165
_cell_length_b   6.165
_cell_length_c   5.750
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   189.283
_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
  Nd  Nd0  1  0.333  0.667  0.750  1.0
  Nd  Nd1  1  0.667  0.333  0.250  1.0
  Cr  Cr2  1  0.000  0.000  0.500  1.0
  Cr  Cr3  1  0.000  0.000  0.000  1.0
  Ge  Ge4  1  0.192  0.808  0.250  1.0
  Ge  Ge5  1  0.192  0.385  0.250  1.0
  Ge  Ge6  1  0.615  0.808  0.250  1.0
  Ge  Ge7  1  0.808  0.192  0.750  1.0
  Ge  Ge8  1  0.808  0.615  0.750  1.0
  Ge  Ge9  1  0.385  0.192  0.750  1.0
[/CIF]
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The material described by NdCrGe3 crystallizes in the hexagonal P6_3/mmc space group. Nd(1) is bonded to twelve equivalent Ge(1) atoms to form distorted NdGe12 cuboctahedra that share corners with six equivalent Nd(1)Ge12 cuboctahedra, corners with six equivalent Cr(1)Ge6 octahedra, faces with eight equivalent Nd(1)Ge12 cuboctahedra, and faces with six equivalent Cr(1)Ge6 octahedra. The corner-sharing octahedral tilt angles are 27°. Cr(1) is bonded to six equivalent Ge(1) atoms to form CrGe6 octahedra that share corners with six equivalent Nd(1)Ge12 cuboctahedra, faces with six equivalent Nd(1)Ge12 cuboctahedra, and faces with two equivalent Cr(1)Ge6 octahedra. Ge(1) is bonded in a 8-coordinate geometry to four equivalent Nd(1), two equivalent Cr(1), and two equivalent Ge(1) atoms. is represented by the CIF card [CIF]
data_NdCrGe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.165
_cell_length_b   6.165
_cell_length_c   5.750
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   189.283
_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
  Nd  Nd0  1  0.333  0.667  0.750  1.0
  Nd  Nd1  1  0.667  0.333  0.250  1.0
  Cr  Cr2  1  0.000  0.000  0.500  1.0
  Cr  Cr3  1  0.000  0.000  0.000  1.0
  Ge  Ge4  1  0.192  0.808  0.250  1.0
  Ge  Ge5  1  0.192  0.385  0.250  1.0
  Ge  Ge6  1  0.615  0.808  0.250  1.0
  Ge  Ge7  1  0.808  0.192  0.750  1.0
  Ge  Ge8  1  0.808  0.615  0.750  1.0
  Ge  Ge9  1  0.385  0.192  0.750  1.0
[/CIF]
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