The material described by TlTa(GeO3)3 crystallizes in the hexagonal P-6c2 space group. The structure consists of two 7440-28-0 atoms inside a Ta(GeO3)3 framework. In the Ta(GeO3)3 framework, Ta(1) is bonded to six equivalent O(2) atoms to form TaO6 octahedra that share corners with six equivalent Ge(1)O4 tetrahedra. Ge(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form GeO4 tetrahedra that share corners with two equivalent Ta(1)O6 octahedra and corners with two equivalent Ge(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 41°. There are two inequivalent O sites. In the first O site, O(2) is bonded in a bent 150 degrees geometry to one Ta(1) and one Ge(1) atom. In the second O site, O(1) is bonded in a bent 120 degrees geometry to two equivalent Ge(1) atoms. is represented by the CIF card [CIF]
data_TaTl(GeO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.037
_cell_length_b   7.037
_cell_length_c   10.222
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   438.362
_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
  Ta  Ta0  1  0.333  0.667  0.000  1.0
  Ta  Ta1  1  0.333  0.667  0.500  1.0
  Tl  Tl2  1  0.667  0.333  0.000  1.0
  Tl  Tl3  1  0.667  0.333  0.500  1.0
  Ge  Ge4  1  0.072  0.289  0.250  1.0
  Ge  Ge5  1  0.217  0.928  0.250  1.0
  Ge  Ge6  1  0.711  0.783  0.250  1.0
  Ge  Ge7  1  0.711  0.928  0.750  1.0
  Ge  Ge8  1  0.217  0.289  0.750  1.0
  Ge  Ge9  1  0.072  0.783  0.750  1.0
  O  O10  1  0.264  0.198  0.250  1.0
  O  O11  1  0.934  0.736  0.250  1.0
  O  O12  1  0.802  0.066  0.250  1.0
  O  O13  1  0.802  0.736  0.750  1.0
  O  O14  1  0.934  0.198  0.750  1.0
  O  O15  1  0.264  0.066  0.750  1.0
  O  O16  1  0.098  0.440  0.110  1.0
  O  O17  1  0.341  0.902  0.390  1.0
  O  O18  1  0.560  0.659  0.390  1.0
  O  O19  1  0.560  0.659  0.110  1.0
  O  O20  1  0.341  0.902  0.110  1.0
  O  O21  1  0.560  0.902  0.890  1.0
  O  O22  1  0.341  0.440  0.890  1.0
  O  O23  1  0.098  0.659  0.890  1.0
  O  O24  1  0.341  0.440  0.610  1.0
  O  O25  1  0.098  0.659  0.610  1.0
  O  O26  1  0.098  0.440  0.390  1.0
  O  O27  1  0.560  0.902  0.610  1.0
[/CIF]
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The material described by TlTa(GeO3)3 crystallizes in the hexagonal P-6c2 space group. The structure consists of two 7440-28-0 atoms inside a Ta(GeO3)3 framework. In the Ta(GeO3)3 framework, Ta(1) is bonded to six equivalent O(2) atoms to form TaO6 octahedra that share corners with six equivalent Ge(1)O4 tetrahedra. Ge(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form GeO4 tetrahedra that share corners with two equivalent Ta(1)O6 octahedra and corners with two equivalent Ge(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 41°. There are two inequivalent O sites. In the first O site, O(2) is bonded in a bent 150 degrees geometry to one Ta(1) and one Ge(1) atom. In the second O site, O(1) is bonded in a bent 120 degrees geometry to two equivalent Ge(1) atoms. is represented by the CIF card [CIF]
data_TaTl(GeO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.037
_cell_length_b   7.037
_cell_length_c   10.222
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   438.362
_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
  Ta  Ta0  1  0.333  0.667  0.000  1.0
  Ta  Ta1  1  0.333  0.667  0.500  1.0
  Tl  Tl2  1  0.667  0.333  0.000  1.0
  Tl  Tl3  1  0.667  0.333  0.500  1.0
  Ge  Ge4  1  0.072  0.289  0.250  1.0
  Ge  Ge5  1  0.217  0.928  0.250  1.0
  Ge  Ge6  1  0.711  0.783  0.250  1.0
  Ge  Ge7  1  0.711  0.928  0.750  1.0
  Ge  Ge8  1  0.217  0.289  0.750  1.0
  Ge  Ge9  1  0.072  0.783  0.750  1.0
  O  O10  1  0.264  0.198  0.250  1.0
  O  O11  1  0.934  0.736  0.250  1.0
  O  O12  1  0.802  0.066  0.250  1.0
  O  O13  1  0.802  0.736  0.750  1.0
  O  O14  1  0.934  0.198  0.750  1.0
  O  O15  1  0.264  0.066  0.750  1.0
  O  O16  1  0.098  0.440  0.110  1.0
  O  O17  1  0.341  0.902  0.390  1.0
  O  O18  1  0.560  0.659  0.390  1.0
  O  O19  1  0.560  0.659  0.110  1.0
  O  O20  1  0.341  0.902  0.110  1.0
  O  O21  1  0.560  0.902  0.890  1.0
  O  O22  1  0.341  0.440  0.890  1.0
  O  O23  1  0.098  0.659  0.890  1.0
  O  O24  1  0.341  0.440  0.610  1.0
  O  O25  1  0.098  0.659  0.610  1.0
  O  O26  1  0.098  0.440  0.390  1.0
  O  O27  1  0.560  0.902  0.610  1.0
[/CIF]
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