The material described by Ca3GeO crystallizes in the orthorhombic Imma space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a distorted linear geometry to four equivalent Ge(1) and two equivalent O(1) atoms. In the second Ca site, Ca(2) is bonded in a distorted linear geometry to four equivalent Ge(1) and two equivalent O(1) atoms. Ge(1) is bonded in a 12-coordinate geometry to four equivalent Ca(2) and eight equivalent Ca(1) atoms. O(1) is bonded to two equivalent Ca(2) and four equivalent Ca(1) atoms to form corner-sharing OCa6 octahedra. The corner-sharing octahedral tilt angles range from 10-14°. is represented by the CIF file [CIF]
data_Ca3GeO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.670
_cell_length_b   6.670
_cell_length_c   6.670
_cell_angle_alpha   120.089
_cell_angle_beta   119.791
_cell_angle_gamma   90.104
_symmetry_Int_Tables_number   1
_cell_volume   209.989
_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  0.272  0.272  0.500  1.0
  Ca  Ca1  1  0.728  0.228  0.000  1.0
  Ca  Ca2  1  0.272  0.772  0.000  1.0
  Ca  Ca3  1  0.728  0.728  0.500  1.0
  Ca  Ca4  1  0.793  0.250  0.543  1.0
  Ca  Ca5  1  0.207  0.750  0.457  1.0
  Ge  Ge6  1  0.252  0.250  0.002  1.0
  Ge  Ge7  1  0.748  0.750  0.998  1.0
  O  O8  1  0.000  0.500  0.500  1.0
  O  O9  1  0.500  0.000  0.500  1.0
[/CIF]
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The material described by Ca3GeO crystallizes in the orthorhombic Imma space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a distorted linear geometry to four equivalent Ge(1) and two equivalent O(1) atoms. In the second Ca site, Ca(2) is bonded in a distorted linear geometry to four equivalent Ge(1) and two equivalent O(1) atoms. Ge(1) is bonded in a 12-coordinate geometry to four equivalent Ca(2) and eight equivalent Ca(1) atoms. O(1) is bonded to two equivalent Ca(2) and four equivalent Ca(1) atoms to form corner-sharing OCa6 octahedra. The corner-sharing octahedral tilt angles range from 10-14°. is represented by the CIF file [CIF]
data_Ca3GeO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.670
_cell_length_b   6.670
_cell_length_c   6.670
_cell_angle_alpha   120.089
_cell_angle_beta   119.791
_cell_angle_gamma   90.104
_symmetry_Int_Tables_number   1
_cell_volume   209.989
_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  0.272  0.272  0.500  1.0
  Ca  Ca1  1  0.728  0.228  0.000  1.0
  Ca  Ca2  1  0.272  0.772  0.000  1.0
  Ca  Ca3  1  0.728  0.728  0.500  1.0
  Ca  Ca4  1  0.793  0.250  0.543  1.0
  Ca  Ca5  1  0.207  0.750  0.457  1.0
  Ge  Ge6  1  0.252  0.250  0.002  1.0
  Ge  Ge7  1  0.748  0.750  0.998  1.0
  O  O8  1  0.000  0.500  0.500  1.0
  O  O9  1  0.500  0.000  0.500  1.0
[/CIF]
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