The compound described by CeCuGeH1.0 crystallizes in the trigonal P-3m1 space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to six equivalent Cu(1) and six equivalent Ge(1) atoms to form CeCu6Ge6 cuboctahedra that share corners with six equivalent H(1)Ce3Cu trigonal pyramids and faces with six equivalent Ce(1)Cu6Ge6 cuboctahedra. In the second Ce site, Ce(2) is bonded in a hexagonal planar geometry to six equivalent H(1) atoms. Cu(1) is bonded in a distorted single-bond geometry to three equivalent Ce(1), three equivalent Ge(1), and one H(1) atom. Ge(1) is bonded in a 6-coordinate geometry to three equivalent Ce(1) and three equivalent Cu(1) atoms. H(1) is bonded to three equivalent Ce(2) and one Cu(1) atom to form distorted HCe3Cu trigonal pyramids that share corners with three equivalent Ce(1)Cu6Ge6 cuboctahedra, corners with nine equivalent H(1)Ce3Cu trigonal pyramids, and edges with three equivalent H(1)Ce3Cu trigonal pyramids. is represented by the CIF file [CIF]
data_CeCuGeH
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.156
_cell_length_b   4.156
_cell_length_c   8.267
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   123.667
_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
  Ce  Ce0  1  0.000  0.000  0.500  1.0
  Ce  Ce1  1  0.000  0.000  0.000  1.0
  Cu  Cu2  1  0.333  0.333  0.756  1.0
  Cu  Cu3  1  0.667  0.667  0.244  1.0
  Ge  Ge4  1  0.333  0.333  0.282  1.0
  Ge  Ge5  1  0.667  0.667  0.718  1.0
  H  H6  1  0.333  0.333  0.958  1.0
  H  H7  1  0.667  0.667  0.042  1.0
[/CIF]
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The compound described by CeCuGeH1.0 crystallizes in the trigonal P-3m1 space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to six equivalent Cu(1) and six equivalent Ge(1) atoms to form CeCu6Ge6 cuboctahedra that share corners with six equivalent H(1)Ce3Cu trigonal pyramids and faces with six equivalent Ce(1)Cu6Ge6 cuboctahedra. In the second Ce site, Ce(2) is bonded in a hexagonal planar geometry to six equivalent H(1) atoms. Cu(1) is bonded in a distorted single-bond geometry to three equivalent Ce(1), three equivalent Ge(1), and one H(1) atom. Ge(1) is bonded in a 6-coordinate geometry to three equivalent Ce(1) and three equivalent Cu(1) atoms. H(1) is bonded to three equivalent Ce(2) and one Cu(1) atom to form distorted HCe3Cu trigonal pyramids that share corners with three equivalent Ce(1)Cu6Ge6 cuboctahedra, corners with nine equivalent H(1)Ce3Cu trigonal pyramids, and edges with three equivalent H(1)Ce3Cu trigonal pyramids. is represented by the CIF file [CIF]
data_CeCuGeH
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.156
_cell_length_b   4.156
_cell_length_c   8.267
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   123.667
_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
  Ce  Ce0  1  0.000  0.000  0.500  1.0
  Ce  Ce1  1  0.000  0.000  0.000  1.0
  Cu  Cu2  1  0.333  0.333  0.756  1.0
  Cu  Cu3  1  0.667  0.667  0.244  1.0
  Ge  Ge4  1  0.333  0.333  0.282  1.0
  Ge  Ge5  1  0.667  0.667  0.718  1.0
  H  H6  1  0.333  0.333  0.958  1.0
  H  H7  1  0.667  0.667  0.042  1.0
[/CIF]
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