The material described by LiTaOGeO4 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. Ta(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TaO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra and corners with four equivalent Ge(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 32°. Ge(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form GeO4 tetrahedra that share corners with four equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles are 43°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Ta(1), and one Ge(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(1), one Ta(1), and one Ge(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Li(1) and two equivalent Ta(1) atoms. is represented by the CIF file [CIF]
data_LiTaGeO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.540
_cell_length_b   5.540
_cell_length_c   7.479
_cell_angle_alpha   109.695
_cell_angle_beta   109.695
_cell_angle_gamma   93.615
_symmetry_Int_Tables_number   1
_cell_volume   199.366
_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
  Li  Li0  1  0.693  0.307  0.250  1.0
  Li  Li1  1  0.307  0.693  0.750  1.0
  Ta  Ta2  1  0.000  0.000  0.000  1.0
  Ta  Ta3  1  0.000  0.000  0.500  1.0
  Ge  Ge4  1  0.638  0.362  0.750  1.0
  Ge  Ge5  1  0.362  0.638  0.250  1.0
  O  O6  1  0.760  0.237  0.557  1.0
  O  O7  1  0.240  0.763  0.443  1.0
  O  O8  1  0.237  0.760  0.057  1.0
  O  O9  1  0.306  0.296  0.151  1.0
  O  O10  1  0.933  0.067  0.250  1.0
  O  O11  1  0.067  0.933  0.750  1.0
  O  O12  1  0.704  0.694  0.349  1.0
  O  O13  1  0.296  0.306  0.651  1.0
  O  O14  1  0.694  0.704  0.849  1.0
  O  O15  1  0.763  0.240  0.943  1.0
[/CIF]
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The material described by LiTaOGeO4 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. Ta(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TaO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra and corners with four equivalent Ge(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 32°. Ge(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form GeO4 tetrahedra that share corners with four equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles are 43°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Ta(1), and one Ge(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(1), one Ta(1), and one Ge(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Li(1) and two equivalent Ta(1) atoms. is represented by the CIF file [CIF]
data_LiTaGeO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.540
_cell_length_b   5.540
_cell_length_c   7.479
_cell_angle_alpha   109.695
_cell_angle_beta   109.695
_cell_angle_gamma   93.615
_symmetry_Int_Tables_number   1
_cell_volume   199.366
_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
  Li  Li0  1  0.693  0.307  0.250  1.0
  Li  Li1  1  0.307  0.693  0.750  1.0
  Ta  Ta2  1  0.000  0.000  0.000  1.0
  Ta  Ta3  1  0.000  0.000  0.500  1.0
  Ge  Ge4  1  0.638  0.362  0.750  1.0
  Ge  Ge5  1  0.362  0.638  0.250  1.0
  O  O6  1  0.760  0.237  0.557  1.0
  O  O7  1  0.240  0.763  0.443  1.0
  O  O8  1  0.237  0.760  0.057  1.0
  O  O9  1  0.306  0.296  0.151  1.0
  O  O10  1  0.933  0.067  0.250  1.0
  O  O11  1  0.067  0.933  0.750  1.0
  O  O12  1  0.704  0.694  0.349  1.0
  O  O13  1  0.296  0.306  0.651  1.0
  O  O14  1  0.694  0.704  0.849  1.0
  O  O15  1  0.763  0.240  0.943  1.0
[/CIF]
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