The structure described by Ca5Ge3H 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 distorted square co-planar geometry to four equivalent Ge(2) atoms. In the second Ca site, Ca(2) is bonded in a distorted single-bond geometry to two equivalent Ge(1), three equivalent Ge(2), and one H(1) atom. 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. H(1) is bonded in a tetrahedral geometry to four equivalent Ca(2) atoms. is represented by the CIF card [CIF]
data_Ca5Ge3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.089
_cell_length_b   9.089
_cell_length_c   9.089
_cell_angle_alpha   129.845
_cell_angle_beta   129.845
_cell_angle_gamma   73.656
_symmetry_Int_Tables_number   1
_cell_volume   431.882
_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  0.500  0.500  0.000  1.0
  Ca  Ca1  1  0.000  0.000  0.000  1.0
  Ca  Ca2  1  0.517  0.017  0.834  1.0
  Ca  Ca3  1  0.183  0.683  0.166  1.0
  Ca  Ca4  1  0.017  0.184  0.500  1.0
  Ca  Ca5  1  0.684  0.517  0.500  1.0
  Ca  Ca6  1  0.483  0.983  0.166  1.0
  Ca  Ca7  1  0.817  0.317  0.834  1.0
  Ca  Ca8  1  0.983  0.816  0.500  1.0
  Ca  Ca9  1  0.316  0.483  0.500  1.0
  Ge  Ge10  1  0.250  0.250  0.000  1.0
  Ge  Ge11  1  0.750  0.750  0.000  1.0
  Ge  Ge12  1  0.884  0.384  0.267  1.0
  Ge  Ge13  1  0.116  0.616  0.733  1.0
  Ge  Ge14  1  0.384  0.116  0.500  1.0
  Ge  Ge15  1  0.616  0.884  0.500  1.0
  H  H16  1  0.250  0.750  0.500  1.0
  H  H17  1  0.750  0.250  0.500  1.0
[/CIF]
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The structure described by Ca5Ge3H 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 distorted square co-planar geometry to four equivalent Ge(2) atoms. In the second Ca site, Ca(2) is bonded in a distorted single-bond geometry to two equivalent Ge(1), three equivalent Ge(2), and one H(1) atom. 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. H(1) is bonded in a tetrahedral geometry to four equivalent Ca(2) atoms. is represented by the CIF card [CIF]
data_Ca5Ge3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.089
_cell_length_b   9.089
_cell_length_c   9.089
_cell_angle_alpha   129.845
_cell_angle_beta   129.845
_cell_angle_gamma   73.656
_symmetry_Int_Tables_number   1
_cell_volume   431.882
_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  0.500  0.500  0.000  1.0
  Ca  Ca1  1  0.000  0.000  0.000  1.0
  Ca  Ca2  1  0.517  0.017  0.834  1.0
  Ca  Ca3  1  0.183  0.683  0.166  1.0
  Ca  Ca4  1  0.017  0.184  0.500  1.0
  Ca  Ca5  1  0.684  0.517  0.500  1.0
  Ca  Ca6  1  0.483  0.983  0.166  1.0
  Ca  Ca7  1  0.817  0.317  0.834  1.0
  Ca  Ca8  1  0.983  0.816  0.500  1.0
  Ca  Ca9  1  0.316  0.483  0.500  1.0
  Ge  Ge10  1  0.250  0.250  0.000  1.0
  Ge  Ge11  1  0.750  0.750  0.000  1.0
  Ge  Ge12  1  0.884  0.384  0.267  1.0
  Ge  Ge13  1  0.116  0.616  0.733  1.0
  Ge  Ge14  1  0.384  0.116  0.500  1.0
  Ge  Ge15  1  0.616  0.884  0.500  1.0
  H  H16  1  0.250  0.750  0.500  1.0
  H  H17  1  0.750  0.250  0.500  1.0
[/CIF]
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