The compound described by Ca2Ti2GeSiO10 crystallizes in the monoclinic C2 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 7-coordinate geometry to one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. In the second Ca site, Ca(2) is bonded in a 7-coordinate geometry to one O(5), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Ti(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ge(1)O4 tetrahedra, and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-39°. 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 43-56°. Si(1) is bonded to two equivalent O(1) and two equivalent O(4) atoms to form SiO4 tetrahedra that share corners with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-52°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(2), one Ti(1), and one Si(1) atom. In the second O site, O(2) is bonded to one Ca(1), one Ca(2), one Ti(1), and one Ge(1) atom to form distorted corner-sharing OCa2TiGe tetrahedra. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Ca(2), one Ti(1), and one Ge(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ca(1), one Ti(1), and one Si(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ca(2) and two equivalent Ti(1) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ca(1) and two equivalent Ti(1) atoms. is represented by the CIF card [CIF]
data_Ca2Ti2SiGeO10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.560
_cell_length_b   5.560
_cell_length_c   7.177
_cell_angle_alpha   75.813
_cell_angle_beta   75.813
_cell_angle_gamma   105.865
_symmetry_Int_Tables_number   1
_cell_volume   194.984
_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  0.826  0.174  0.500  1.0
  Ca  Ca1  1  0.172  0.828  0.000  1.0
  Ti  Ti2  1  0.500  0.505  0.746  1.0
  Ti  Ti3  1  0.495  0.500  0.254  1.0
  Si  Si4  1  0.180  0.820  0.500  1.0
  Ge  Ge5  1  0.817  0.183  0.000  1.0
  O  O6  1  0.385  0.812  0.633  1.0
  O  O7  1  0.188  0.615  0.367  1.0
  O  O8  1  0.602  0.185  0.855  1.0
  O  O9  1  0.815  0.398  0.145  1.0
  O  O10  1  0.754  0.866  0.172  1.0
  O  O11  1  0.134  0.246  0.828  1.0
  O  O12  1  0.251  0.121  0.342  1.0
  O  O13  1  0.879  0.749  0.658  1.0
  O  O14  1  0.433  0.567  0.000  1.0
  O  O15  1  0.568  0.432  0.500  1.0
[/CIF]
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The compound described by Ca2Ti2GeSiO10 crystallizes in the monoclinic C2 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 7-coordinate geometry to one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. In the second Ca site, Ca(2) is bonded in a 7-coordinate geometry to one O(5), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Ti(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ge(1)O4 tetrahedra, and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-39°. 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 43-56°. Si(1) is bonded to two equivalent O(1) and two equivalent O(4) atoms to form SiO4 tetrahedra that share corners with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-52°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(2), one Ti(1), and one Si(1) atom. In the second O site, O(2) is bonded to one Ca(1), one Ca(2), one Ti(1), and one Ge(1) atom to form distorted corner-sharing OCa2TiGe tetrahedra. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Ca(2), one Ti(1), and one Ge(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ca(1), one Ti(1), and one Si(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ca(2) and two equivalent Ti(1) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ca(1) and two equivalent Ti(1) atoms. is represented by the CIF card [CIF]
data_Ca2Ti2SiGeO10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.560
_cell_length_b   5.560
_cell_length_c   7.177
_cell_angle_alpha   75.813
_cell_angle_beta   75.813
_cell_angle_gamma   105.865
_symmetry_Int_Tables_number   1
_cell_volume   194.984
_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  0.826  0.174  0.500  1.0
  Ca  Ca1  1  0.172  0.828  0.000  1.0
  Ti  Ti2  1  0.500  0.505  0.746  1.0
  Ti  Ti3  1  0.495  0.500  0.254  1.0
  Si  Si4  1  0.180  0.820  0.500  1.0
  Ge  Ge5  1  0.817  0.183  0.000  1.0
  O  O6  1  0.385  0.812  0.633  1.0
  O  O7  1  0.188  0.615  0.367  1.0
  O  O8  1  0.602  0.185  0.855  1.0
  O  O9  1  0.815  0.398  0.145  1.0
  O  O10  1  0.754  0.866  0.172  1.0
  O  O11  1  0.134  0.246  0.828  1.0
  O  O12  1  0.251  0.121  0.342  1.0
  O  O13  1  0.879  0.749  0.658  1.0
  O  O14  1  0.433  0.567  0.000  1.0
  O  O15  1  0.568  0.432  0.500  1.0
[/CIF]
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