The material structure described by Ca2GeO4 crystallizes in the trigonal P-3m1 space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a distorted single-bond geometry to one O(1) and nine equivalent O(2) atoms. In the second Ca site, Ca(2) is bonded to six equivalent O(2) atoms to form CaO6 octahedra that share corners with six equivalent Ge(1)O4 tetrahedra. In the third Ca site, Ca(3) is bonded in a distorted hexagonal planar geometry to six equivalent O(2) atoms. Ge(1) is bonded to one O(1) and three equivalent O(2) atoms to form GeO4 tetrahedra that share corners with three equivalent Ca(2)O6 octahedra. The corner-sharing octahedral tilt angles are 14°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Ca(1) and one Ge(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Ca(2), one Ca(3), three equivalent Ca(1), and one Ge(1) atom. is represented by the CIF card [CIF]
data_Ca2GeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.803
_cell_length_b   5.803
_cell_length_c   6.861
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   200.091
_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  0.667  0.333  0.365  1.0
  Ca  Ca1  1  0.333  0.667  0.635  1.0
  Ca  Ca2  1  0.000  0.000  0.500  1.0
  Ca  Ca3  1  0.000  0.000  0.000  1.0
  Ge  Ge4  1  0.667  0.333  0.812  1.0
  Ge  Ge5  1  0.333  0.667  0.188  1.0
  O  O6  1  0.667  0.333  0.062  1.0
  O  O7  1  0.333  0.667  0.938  1.0
  O  O8  1  0.346  0.173  0.704  1.0
  O  O9  1  0.827  0.654  0.704  1.0
  O  O10  1  0.827  0.173  0.704  1.0
  O  O11  1  0.654  0.827  0.296  1.0
  O  O12  1  0.173  0.346  0.296  1.0
  O  O13  1  0.173  0.827  0.296  1.0
[/CIF]
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The material structure described by Ca2GeO4 crystallizes in the trigonal P-3m1 space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a distorted single-bond geometry to one O(1) and nine equivalent O(2) atoms. In the second Ca site, Ca(2) is bonded to six equivalent O(2) atoms to form CaO6 octahedra that share corners with six equivalent Ge(1)O4 tetrahedra. In the third Ca site, Ca(3) is bonded in a distorted hexagonal planar geometry to six equivalent O(2) atoms. Ge(1) is bonded to one O(1) and three equivalent O(2) atoms to form GeO4 tetrahedra that share corners with three equivalent Ca(2)O6 octahedra. The corner-sharing octahedral tilt angles are 14°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Ca(1) and one Ge(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Ca(2), one Ca(3), three equivalent Ca(1), and one Ge(1) atom. is represented by the CIF card [CIF]
data_Ca2GeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.803
_cell_length_b   5.803
_cell_length_c   6.861
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   200.091
_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  0.667  0.333  0.365  1.0
  Ca  Ca1  1  0.333  0.667  0.635  1.0
  Ca  Ca2  1  0.000  0.000  0.500  1.0
  Ca  Ca3  1  0.000  0.000  0.000  1.0
  Ge  Ge4  1  0.667  0.333  0.812  1.0
  Ge  Ge5  1  0.333  0.667  0.188  1.0
  O  O6  1  0.667  0.333  0.062  1.0
  O  O7  1  0.333  0.667  0.938  1.0
  O  O8  1  0.346  0.173  0.704  1.0
  O  O9  1  0.827  0.654  0.704  1.0
  O  O10  1  0.827  0.173  0.704  1.0
  O  O11  1  0.654  0.827  0.296  1.0
  O  O12  1  0.173  0.346  0.296  1.0
  O  O13  1  0.173  0.827  0.296  1.0
[/CIF]
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