The compound described by Ca5Ge3 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a square co-planar geometry to four equivalent Ge(2) atoms. In the second Ca site, Ca(2) is bonded to two equivalent Ge(1) and three equivalent Ge(2) atoms to form a mixture of distorted face, corner, and edge-sharing CaGe5 trigonal bipyramids. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 8-coordinate geometry to eight equivalent Ca(2) atoms. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to two equivalent Ca(1), six equivalent Ca(2), and one Ge(2) atom. is represented by the CIF file [CIF]
data_Ca5Ge3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.709
_cell_length_b   7.709
_cell_length_c   9.188
_cell_angle_alpha   114.796
_cell_angle_beta   114.796
_cell_angle_gamma   89.998
_symmetry_Int_Tables_number   1
_cell_volume   439.622
_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
  Ca  Ca0  1  0.000  0.000  0.000  1.0
  Ca  Ca1  1  0.500  0.500  0.000  1.0
  Ca  Ca2  1  0.318  0.818  0.278  1.0
  Ca  Ca3  1  0.460  0.318  0.278  1.0
  Ca  Ca4  1  0.818  0.960  0.278  1.0
  Ca  Ca5  1  0.540  0.682  0.722  1.0
  Ca  Ca6  1  0.182  0.040  0.722  1.0
  Ca  Ca7  1  0.040  0.540  0.722  1.0
  Ca  Ca8  1  0.682  0.182  0.722  1.0
  Ca  Ca9  1  0.960  0.460  0.278  1.0
  Ge  Ge10  1  0.250  0.250  0.500  1.0
  Ge  Ge11  1  0.750  0.750  0.500  1.0
  Ge  Ge12  1  0.383  0.883  1.000  1.0
  Ge  Ge13  1  0.117  0.383  1.000  1.0
  Ge  Ge14  1  0.883  0.617  0.000  1.0
  Ge  Ge15  1  0.617  0.117  0.000  1.0
[/CIF]
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The compound described by Ca5Ge3 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a square co-planar geometry to four equivalent Ge(2) atoms. In the second Ca site, Ca(2) is bonded to two equivalent Ge(1) and three equivalent Ge(2) atoms to form a mixture of distorted face, corner, and edge-sharing CaGe5 trigonal bipyramids. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 8-coordinate geometry to eight equivalent Ca(2) atoms. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to two equivalent Ca(1), six equivalent Ca(2), and one Ge(2) atom. is represented by the CIF file [CIF]
data_Ca5Ge3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.709
_cell_length_b   7.709
_cell_length_c   9.188
_cell_angle_alpha   114.796
_cell_angle_beta   114.796
_cell_angle_gamma   89.998
_symmetry_Int_Tables_number   1
_cell_volume   439.622
_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
  Ca  Ca0  1  0.000  0.000  0.000  1.0
  Ca  Ca1  1  0.500  0.500  0.000  1.0
  Ca  Ca2  1  0.318  0.818  0.278  1.0
  Ca  Ca3  1  0.460  0.318  0.278  1.0
  Ca  Ca4  1  0.818  0.960  0.278  1.0
  Ca  Ca5  1  0.540  0.682  0.722  1.0
  Ca  Ca6  1  0.182  0.040  0.722  1.0
  Ca  Ca7  1  0.040  0.540  0.722  1.0
  Ca  Ca8  1  0.682  0.182  0.722  1.0
  Ca  Ca9  1  0.960  0.460  0.278  1.0
  Ge  Ge10  1  0.250  0.250  0.500  1.0
  Ge  Ge11  1  0.750  0.750  0.500  1.0
  Ge  Ge12  1  0.383  0.883  1.000  1.0
  Ge  Ge13  1  0.117  0.383  1.000  1.0
  Ge  Ge14  1  0.883  0.617  0.000  1.0
  Ge  Ge15  1  0.617  0.117  0.000  1.0
[/CIF]
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