The crystal structure described by Ca10Ge6F crystallizes in the tetragonal I-42m space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a rectangular see-saw-like geometry to four equivalent Ge(2) atoms. In the second Ca site, Ca(2) is bonded in a single-bond geometry to two equivalent Ge(1), three equivalent Ge(2), and one F(1) atom. In the third Ca site, Ca(3) is bonded to two equivalent Ge(1) and three equivalent Ge(2) atoms to form a mixture of distorted 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 four equivalent Ca(2) and four equivalent Ca(3) atoms. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to two equivalent Ca(1), three equivalent Ca(2), three equivalent Ca(3), and one Ge(2) atom. F(1) is bonded in a tetrahedral geometry to four equivalent Ca(2) atoms. is represented by the CIF file [CIF]
data_Ca10Ge6F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.184
_cell_length_b   9.184
_cell_length_c   9.184
_cell_angle_alpha   130.255
_cell_angle_beta   130.255
_cell_angle_gamma   72.999
_symmetry_Int_Tables_number   1
_cell_volume   440.618
_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
  Ca  Ca0  1  0.250  0.750  0.500  1.0
  Ca  Ca1  1  0.750  0.250  0.500  1.0
  Ca  Ca2  1  0.768  0.435  0.000  1.0
  Ca  Ca3  1  0.435  0.768  0.000  1.0
  Ca  Ca4  1  0.933  0.933  0.650  1.0
  Ca  Ca5  1  0.283  0.283  0.350  1.0
  Ca  Ca6  1  0.717  0.067  0.000  1.0
  Ca  Ca7  1  0.067  0.717  0.000  1.0
  Ca  Ca8  1  0.565  0.565  0.333  1.0
  Ca  Ca9  1  0.232  0.232  0.667  1.0
  Ge  Ge10  1  0.000  0.500  0.500  1.0
  Ge  Ge11  1  0.500  0.000  0.500  1.0
  Ge  Ge12  1  0.130  0.367  0.000  1.0
  Ge  Ge13  1  0.367  0.130  0.000  1.0
  Ge  Ge14  1  0.870  0.870  0.237  1.0
  Ge  Ge15  1  0.633  0.633  0.763  1.0
  F  F16  1  0.500  0.500  0.000  1.0
[/CIF]
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The crystal structure described by Ca10Ge6F crystallizes in the tetragonal I-42m space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a rectangular see-saw-like geometry to four equivalent Ge(2) atoms. In the second Ca site, Ca(2) is bonded in a single-bond geometry to two equivalent Ge(1), three equivalent Ge(2), and one F(1) atom. In the third Ca site, Ca(3) is bonded to two equivalent Ge(1) and three equivalent Ge(2) atoms to form a mixture of distorted 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 four equivalent Ca(2) and four equivalent Ca(3) atoms. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to two equivalent Ca(1), three equivalent Ca(2), three equivalent Ca(3), and one Ge(2) atom. F(1) is bonded in a tetrahedral geometry to four equivalent Ca(2) atoms. is represented by the CIF file [CIF]
data_Ca10Ge6F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.184
_cell_length_b   9.184
_cell_length_c   9.184
_cell_angle_alpha   130.255
_cell_angle_beta   130.255
_cell_angle_gamma   72.999
_symmetry_Int_Tables_number   1
_cell_volume   440.618
_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
  Ca  Ca0  1  0.250  0.750  0.500  1.0
  Ca  Ca1  1  0.750  0.250  0.500  1.0
  Ca  Ca2  1  0.768  0.435  0.000  1.0
  Ca  Ca3  1  0.435  0.768  0.000  1.0
  Ca  Ca4  1  0.933  0.933  0.650  1.0
  Ca  Ca5  1  0.283  0.283  0.350  1.0
  Ca  Ca6  1  0.717  0.067  0.000  1.0
  Ca  Ca7  1  0.067  0.717  0.000  1.0
  Ca  Ca8  1  0.565  0.565  0.333  1.0
  Ca  Ca9  1  0.232  0.232  0.667  1.0
  Ge  Ge10  1  0.000  0.500  0.500  1.0
  Ge  Ge11  1  0.500  0.000  0.500  1.0
  Ge  Ge12  1  0.130  0.367  0.000  1.0
  Ge  Ge13  1  0.367  0.130  0.000  1.0
  Ge  Ge14  1  0.870  0.870  0.237  1.0
  Ge  Ge15  1  0.633  0.633  0.763  1.0
  F  F16  1  0.500  0.500  0.000  1.0
[/CIF]
.