The material described by Ca3TaGa3Si2O14 crystallizes in the trigonal P321 space group. Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. Ta(1) is bonded to six equivalent O(1) atoms to form TaO6 octahedra that share corners with six equivalent Ga(1)O4 tetrahedra. Ga(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form GaO4 tetrahedra that share corners with two equivalent Ta(1)O6 octahedra and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 64°. Si(1) is bonded to one O(3) and three equivalent O(2) atoms to form SiO4 tetrahedra that share corners with three equivalent Ga(1)O4 tetrahedra. 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), one Ta(1), and one Ga(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Ca(1), one Ga(1), and one Si(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to three equivalent Ca(1) and one Si(1) atom. is represented by the CIF card [CIF]
data_Ca3TaGa3(SiO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.212
_cell_length_b   8.212
_cell_length_c   5.027
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   293.568
_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  0.000  0.422  0.000  1.0
  Ca  Ca1  1  0.578  0.578  0.000  1.0
  Ca  Ca2  1  0.422  0.000  0.000  1.0
  Ta  Ta3  1  0.000  0.000  0.000  1.0
  Ga  Ga4  1  0.257  0.257  0.500  1.0
  Ga  Ga5  1  0.743  0.000  0.500  1.0
  Ga  Ga6  1  0.000  0.743  0.500  1.0
  Si  Si7  1  0.333  0.667  0.550  1.0
  Si  Si8  1  0.667  0.333  0.450  1.0
  O  O9  1  0.086  0.225  0.235  1.0
  O  O10  1  0.775  0.861  0.235  1.0
  O  O11  1  0.139  0.914  0.235  1.0
  O  O12  1  0.861  0.775  0.765  1.0
  O  O13  1  0.914  0.139  0.765  1.0
  O  O14  1  0.225  0.086  0.765  1.0
  O  O15  1  0.324  0.478  0.690  1.0
  O  O16  1  0.522  0.845  0.690  1.0
  O  O17  1  0.155  0.676  0.690  1.0
  O  O18  1  0.333  0.667  0.230  1.0
  O  O19  1  0.667  0.333  0.770  1.0
  O  O20  1  0.478  0.324  0.310  1.0
  O  O21  1  0.676  0.155  0.310  1.0
  O  O22  1  0.845  0.522  0.310  1.0
[/CIF]
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The material described by Ca3TaGa3Si2O14 crystallizes in the trigonal P321 space group. Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. Ta(1) is bonded to six equivalent O(1) atoms to form TaO6 octahedra that share corners with six equivalent Ga(1)O4 tetrahedra. Ga(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form GaO4 tetrahedra that share corners with two equivalent Ta(1)O6 octahedra and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 64°. Si(1) is bonded to one O(3) and three equivalent O(2) atoms to form SiO4 tetrahedra that share corners with three equivalent Ga(1)O4 tetrahedra. 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), one Ta(1), and one Ga(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Ca(1), one Ga(1), and one Si(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to three equivalent Ca(1) and one Si(1) atom. is represented by the CIF card [CIF]
data_Ca3TaGa3(SiO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.212
_cell_length_b   8.212
_cell_length_c   5.027
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   293.568
_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  0.000  0.422  0.000  1.0
  Ca  Ca1  1  0.578  0.578  0.000  1.0
  Ca  Ca2  1  0.422  0.000  0.000  1.0
  Ta  Ta3  1  0.000  0.000  0.000  1.0
  Ga  Ga4  1  0.257  0.257  0.500  1.0
  Ga  Ga5  1  0.743  0.000  0.500  1.0
  Ga  Ga6  1  0.000  0.743  0.500  1.0
  Si  Si7  1  0.333  0.667  0.550  1.0
  Si  Si8  1  0.667  0.333  0.450  1.0
  O  O9  1  0.086  0.225  0.235  1.0
  O  O10  1  0.775  0.861  0.235  1.0
  O  O11  1  0.139  0.914  0.235  1.0
  O  O12  1  0.861  0.775  0.765  1.0
  O  O13  1  0.914  0.139  0.765  1.0
  O  O14  1  0.225  0.086  0.765  1.0
  O  O15  1  0.324  0.478  0.690  1.0
  O  O16  1  0.522  0.845  0.690  1.0
  O  O17  1  0.155  0.676  0.690  1.0
  O  O18  1  0.333  0.667  0.230  1.0
  O  O19  1  0.667  0.333  0.770  1.0
  O  O20  1  0.478  0.324  0.310  1.0
  O  O21  1  0.676  0.155  0.310  1.0
  O  O22  1  0.845  0.522  0.310  1.0
[/CIF]
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