The material structure described by LiTaOGeO4 crystallizes in the monoclinic Cc space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(4), and one O(5) atom. Ta(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) 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 33°. Ge(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form GeO4 tetrahedra that share corners with four equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-44°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar 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 bent 150 degrees geometry to one Ta(1) and one Ge(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(1), one Ta(1), and one Ge(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Li(1), one Ta(1), and one Ge(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Li(1) and two equivalent Ta(1) atoms. is represented by the CIF card [CIF]
data_LiTaGeO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.621
_cell_length_b   5.621
_cell_length_c   7.568
_cell_angle_alpha   70.382
_cell_angle_beta   70.382
_cell_angle_gamma   94.023
_symmetry_Int_Tables_number   1
_cell_volume   207.641
_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  0.309  0.693  0.718  1.0
  Li  Li1  1  0.693  0.309  0.218  1.0
  Ta  Ta2  1  0.995  0.004  0.497  1.0
  Ta  Ta3  1  0.004  0.995  0.997  1.0
  Ge  Ge4  1  0.359  0.640  0.253  1.0
  Ge  Ge5  1  0.640  0.359  0.753  1.0
  O  O6  1  0.239  0.765  0.444  1.0
  O  O7  1  0.235  0.763  0.063  1.0
  O  O8  1  0.763  0.235  0.563  1.0
  O  O9  1  0.765  0.239  0.944  1.0
  O  O10  1  0.697  0.700  0.647  1.0
  O  O11  1  0.300  0.303  0.847  1.0
  O  O12  1  0.303  0.300  0.347  1.0
  O  O13  1  0.700  0.697  0.147  1.0
  O  O14  1  0.067  0.933  0.748  1.0
  O  O15  1  0.933  0.067  0.248  1.0
[/CIF]
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The material structure described by LiTaOGeO4 crystallizes in the monoclinic Cc space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(4), and one O(5) atom. Ta(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) 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 33°. Ge(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form GeO4 tetrahedra that share corners with four equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-44°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar 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 bent 150 degrees geometry to one Ta(1) and one Ge(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(1), one Ta(1), and one Ge(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Li(1), one Ta(1), and one Ge(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Li(1) and two equivalent Ta(1) atoms. is represented by the CIF card [CIF]
data_LiTaGeO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.621
_cell_length_b   5.621
_cell_length_c   7.568
_cell_angle_alpha   70.382
_cell_angle_beta   70.382
_cell_angle_gamma   94.023
_symmetry_Int_Tables_number   1
_cell_volume   207.641
_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  0.309  0.693  0.718  1.0
  Li  Li1  1  0.693  0.309  0.218  1.0
  Ta  Ta2  1  0.995  0.004  0.497  1.0
  Ta  Ta3  1  0.004  0.995  0.997  1.0
  Ge  Ge4  1  0.359  0.640  0.253  1.0
  Ge  Ge5  1  0.640  0.359  0.753  1.0
  O  O6  1  0.239  0.765  0.444  1.0
  O  O7  1  0.235  0.763  0.063  1.0
  O  O8  1  0.763  0.235  0.563  1.0
  O  O9  1  0.765  0.239  0.944  1.0
  O  O10  1  0.697  0.700  0.647  1.0
  O  O11  1  0.300  0.303  0.847  1.0
  O  O12  1  0.303  0.300  0.347  1.0
  O  O13  1  0.700  0.697  0.147  1.0
  O  O14  1  0.067  0.933  0.748  1.0
  O  O15  1  0.933  0.067  0.248  1.0
[/CIF]
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