The material described by Ce3Ni2Ge7 crystallizes in the orthorhombic Cmmm space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 14-coordinate geometry to four equivalent Ni(1), two equivalent Ge(1), two equivalent Ge(3), and six equivalent Ge(2) atoms. In the second Ce site, Ce(2) is bonded to four equivalent Ge(1), four equivalent Ge(3), and four equivalent Ge(4) atoms to form a mixture of distorted face and corner-sharing CeGe12 cuboctahedra. Ni(1) is bonded in a 5-coordinate geometry to four equivalent Ce(1), one Ge(2), two equivalent Ge(1), and two equivalent Ge(3) atoms. There are four inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 6-coordinate geometry to two equivalent Ce(1), two equivalent Ce(2), and two equivalent Ni(1) atoms. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to six equivalent Ce(1), one Ni(1), and two equivalent Ge(2) atoms. In the third Ge site, Ge(3) is bonded in a 6-coordinate geometry to two equivalent Ce(1), two equivalent Ce(2), and two equivalent Ni(1) atoms. In the fourth Ge site, Ge(4) is bonded in a square co-planar geometry to four equivalent Ce(2) atoms. is represented by the CIF file [CIF]
data_Ce3Ni2Ge7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.818
_cell_length_b   12.818
_cell_length_c   4.283
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   160.859
_symmetry_Int_Tables_number   1
_cell_volume   230.745
_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
  Ce  Ce0  1  0.685  0.315  0.500  1.0
  Ce  Ce1  1  0.315  0.685  0.500  1.0
  Ce  Ce2  1  0.000  0.000  0.000  1.0
  Ni  Ni3  1  0.871  0.129  0.000  1.0
  Ni  Ni4  1  0.129  0.871  0.000  1.0
  Ge  Ge5  1  0.588  0.412  0.000  1.0
  Ge  Ge6  1  0.412  0.588  0.000  1.0
  Ge  Ge7  1  0.778  0.222  0.000  1.0
  Ge  Ge8  1  0.222  0.778  0.000  1.0
  Ge  Ge9  1  0.912  0.088  0.500  1.0
  Ge  Ge10  1  0.088  0.912  0.500  1.0
  Ge  Ge11  1  0.500  0.500  0.500  1.0
[/CIF]
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The material described by Ce3Ni2Ge7 crystallizes in the orthorhombic Cmmm space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 14-coordinate geometry to four equivalent Ni(1), two equivalent Ge(1), two equivalent Ge(3), and six equivalent Ge(2) atoms. In the second Ce site, Ce(2) is bonded to four equivalent Ge(1), four equivalent Ge(3), and four equivalent Ge(4) atoms to form a mixture of distorted face and corner-sharing CeGe12 cuboctahedra. Ni(1) is bonded in a 5-coordinate geometry to four equivalent Ce(1), one Ge(2), two equivalent Ge(1), and two equivalent Ge(3) atoms. There are four inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 6-coordinate geometry to two equivalent Ce(1), two equivalent Ce(2), and two equivalent Ni(1) atoms. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to six equivalent Ce(1), one Ni(1), and two equivalent Ge(2) atoms. In the third Ge site, Ge(3) is bonded in a 6-coordinate geometry to two equivalent Ce(1), two equivalent Ce(2), and two equivalent Ni(1) atoms. In the fourth Ge site, Ge(4) is bonded in a square co-planar geometry to four equivalent Ce(2) atoms. is represented by the CIF file [CIF]
data_Ce3Ni2Ge7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.818
_cell_length_b   12.818
_cell_length_c   4.283
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   160.859
_symmetry_Int_Tables_number   1
_cell_volume   230.745
_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
  Ce  Ce0  1  0.685  0.315  0.500  1.0
  Ce  Ce1  1  0.315  0.685  0.500  1.0
  Ce  Ce2  1  0.000  0.000  0.000  1.0
  Ni  Ni3  1  0.871  0.129  0.000  1.0
  Ni  Ni4  1  0.129  0.871  0.000  1.0
  Ge  Ge5  1  0.588  0.412  0.000  1.0
  Ge  Ge6  1  0.412  0.588  0.000  1.0
  Ge  Ge7  1  0.778  0.222  0.000  1.0
  Ge  Ge8  1  0.222  0.778  0.000  1.0
  Ge  Ge9  1  0.912  0.088  0.500  1.0
  Ge  Ge10  1  0.088  0.912  0.500  1.0
  Ge  Ge11  1  0.500  0.500  0.500  1.0
[/CIF]
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