The structure described by Li2TiGeO5 crystallizes in the tetragonal P4/nmm space group. Li(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. Ti(1) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(1) atoms. Ge(1) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Ti(1), and one Ge(1) atom to form a mixture of distorted edge and corner-sharing OLi2TiGe tetrahedra. In the second O site, O(2) is bonded in a distorted single-bond geometry to four equivalent Li(1) and one Ti(1) atom. is represented by the CIF card [CIF]
data_Li2TiGeO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.659
_cell_length_b   6.659
_cell_length_c   4.553
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   201.886
_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  0.750  0.250  0.500  1.0
  Li  Li1  1  0.250  0.250  0.500  1.0
  Li  Li2  1  0.250  0.750  0.500  1.0
  Li  Li3  1  0.750  0.750  0.500  1.0
  Ti  Ti4  1  0.000  0.500  0.104  1.0
  Ti  Ti5  1  0.500  0.000  0.896  1.0
  Ge  Ge6  1  0.500  0.500  0.000  1.0
  Ge  Ge7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.500  0.714  0.768  1.0
  O  O9  1  0.500  0.286  0.768  1.0
  O  O10  1  0.500  0.000  0.273  1.0
  O  O11  1  0.000  0.500  0.727  1.0
  O  O12  1  0.714  0.500  0.232  1.0
  O  O13  1  0.000  0.786  0.232  1.0
  O  O14  1  0.000  0.214  0.232  1.0
  O  O15  1  0.286  0.500  0.232  1.0
  O  O16  1  0.786  0.000  0.768  1.0
  O  O17  1  0.214  0.000  0.768  1.0
[/CIF]
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The structure described by Li2TiGeO5 crystallizes in the tetragonal P4/nmm space group. Li(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. Ti(1) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(1) atoms. Ge(1) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Ti(1), and one Ge(1) atom to form a mixture of distorted edge and corner-sharing OLi2TiGe tetrahedra. In the second O site, O(2) is bonded in a distorted single-bond geometry to four equivalent Li(1) and one Ti(1) atom. is represented by the CIF card [CIF]
data_Li2TiGeO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.659
_cell_length_b   6.659
_cell_length_c   4.553
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   201.886
_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  0.750  0.250  0.500  1.0
  Li  Li1  1  0.250  0.250  0.500  1.0
  Li  Li2  1  0.250  0.750  0.500  1.0
  Li  Li3  1  0.750  0.750  0.500  1.0
  Ti  Ti4  1  0.000  0.500  0.104  1.0
  Ti  Ti5  1  0.500  0.000  0.896  1.0
  Ge  Ge6  1  0.500  0.500  0.000  1.0
  Ge  Ge7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.500  0.714  0.768  1.0
  O  O9  1  0.500  0.286  0.768  1.0
  O  O10  1  0.500  0.000  0.273  1.0
  O  O11  1  0.000  0.500  0.727  1.0
  O  O12  1  0.714  0.500  0.232  1.0
  O  O13  1  0.000  0.786  0.232  1.0
  O  O14  1  0.000  0.214  0.232  1.0
  O  O15  1  0.286  0.500  0.232  1.0
  O  O16  1  0.786  0.000  0.768  1.0
  O  O17  1  0.214  0.000  0.768  1.0
[/CIF]
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