The crystal structure described by CaTiGeO5 crystallizes in the monoclinic C2/c space group. Ca(1) is bonded in a 7-coordinate geometry to one O(1), two equivalent O(2), and four equivalent O(3) atoms. Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra and corners with four equivalent Ge(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 37°. Ge(1) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form GeO4 tetrahedra that share corners with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-56°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ca(1) and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Ca(1), one Ti(1), and one Ge(1) atom. In the third O site, O(3) is bonded to two equivalent Ca(1), one Ti(1), and one Ge(1) atom to form a mixture of distorted edge and corner-sharing OCa2TiGe tetrahedra. is represented by the CIF card [CIF]
data_CaTiGeO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.609
_cell_length_b   5.609
_cell_length_c   7.213
_cell_angle_alpha   75.968
_cell_angle_beta   75.968
_cell_angle_gamma   106.258
_symmetry_Int_Tables_number   1
_cell_volume   199.308
_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  0.827  0.173  0.750  1.0
  Ca  Ca1  1  0.173  0.827  0.250  1.0
  Ti  Ti2  1  0.500  0.500  0.000  1.0
  Ti  Ti3  1  0.500  0.500  0.500  1.0
  Ge  Ge4  1  0.817  0.183  0.250  1.0
  Ge  Ge5  1  0.183  0.817  0.750  1.0
  O  O6  1  0.433  0.567  0.250  1.0
  O  O7  1  0.567  0.433  0.750  1.0
  O  O8  1  0.751  0.869  0.421  1.0
  O  O9  1  0.131  0.249  0.079  1.0
  O  O10  1  0.249  0.131  0.579  1.0
  O  O11  1  0.869  0.751  0.921  1.0
  O  O12  1  0.400  0.815  0.892  1.0
  O  O13  1  0.185  0.600  0.608  1.0
  O  O14  1  0.600  0.185  0.108  1.0
  O  O15  1  0.815  0.400  0.392  1.0
[/CIF]
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The crystal structure described by CaTiGeO5 crystallizes in the monoclinic C2/c space group. Ca(1) is bonded in a 7-coordinate geometry to one O(1), two equivalent O(2), and four equivalent O(3) atoms. Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra and corners with four equivalent Ge(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 37°. Ge(1) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form GeO4 tetrahedra that share corners with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-56°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ca(1) and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Ca(1), one Ti(1), and one Ge(1) atom. In the third O site, O(3) is bonded to two equivalent Ca(1), one Ti(1), and one Ge(1) atom to form a mixture of distorted edge and corner-sharing OCa2TiGe tetrahedra. is represented by the CIF card [CIF]
data_CaTiGeO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.609
_cell_length_b   5.609
_cell_length_c   7.213
_cell_angle_alpha   75.968
_cell_angle_beta   75.968
_cell_angle_gamma   106.258
_symmetry_Int_Tables_number   1
_cell_volume   199.308
_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  0.827  0.173  0.750  1.0
  Ca  Ca1  1  0.173  0.827  0.250  1.0
  Ti  Ti2  1  0.500  0.500  0.000  1.0
  Ti  Ti3  1  0.500  0.500  0.500  1.0
  Ge  Ge4  1  0.817  0.183  0.250  1.0
  Ge  Ge5  1  0.183  0.817  0.750  1.0
  O  O6  1  0.433  0.567  0.250  1.0
  O  O7  1  0.567  0.433  0.750  1.0
  O  O8  1  0.751  0.869  0.421  1.0
  O  O9  1  0.131  0.249  0.079  1.0
  O  O10  1  0.249  0.131  0.579  1.0
  O  O11  1  0.869  0.751  0.921  1.0
  O  O12  1  0.400  0.815  0.892  1.0
  O  O13  1  0.185  0.600  0.608  1.0
  O  O14  1  0.600  0.185  0.108  1.0
  O  O15  1  0.815  0.400  0.392  1.0
[/CIF]
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