The material described by LiFeGe2O6 is Esseneite structured and crystallizes in the monoclinic C2/c space group. Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with eight equivalent Ge(1)O4 tetrahedra and edges with three equivalent Fe(1)O6 octahedra. Fe(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form FeO6 octahedra that share corners with six equivalent Ge(1)O4 tetrahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with three equivalent Li(1)O6 octahedra. Ge(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form GeO4 tetrahedra that share corners with three equivalent Fe(1)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, and corners with two equivalent Ge(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-65°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Fe(1), and one Ge(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Ge(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(1), and one Ge(1) atom. is represented by the CIF file [CIF]
data_LiFe(GeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.620
_cell_length_b   6.620
_cell_length_c   5.271
_cell_angle_alpha   80.972
_cell_angle_beta   80.972
_cell_angle_gamma   85.011
_symmetry_Int_Tables_number   1
_cell_volume   224.850
_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  0.270  0.730  0.250  1.0
  Li  Li1  1  0.730  0.270  0.750  1.0
  Fe  Fe2  1  0.900  0.100  0.250  1.0
  Fe  Fe3  1  0.100  0.900  0.750  1.0
  Ge  Ge4  1  0.392  0.207  0.288  1.0
  Ge  Ge5  1  0.793  0.608  0.212  1.0
  Ge  Ge6  1  0.608  0.793  0.712  1.0
  Ge  Ge7  1  0.207  0.392  0.788  1.0
  O  O8  1  0.969  0.806  0.125  1.0
  O  O9  1  0.705  0.574  0.916  1.0
  O  O10  1  0.031  0.194  0.875  1.0
  O  O11  1  0.806  0.969  0.625  1.0
  O  O12  1  0.426  0.295  0.584  1.0
  O  O13  1  0.194  0.031  0.375  1.0
  O  O14  1  0.126  0.629  0.633  1.0
  O  O15  1  0.371  0.874  0.867  1.0
  O  O16  1  0.574  0.705  0.416  1.0
  O  O17  1  0.629  0.126  0.133  1.0
  O  O18  1  0.295  0.426  0.084  1.0
  O  O19  1  0.874  0.371  0.367  1.0
[/CIF]
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The material described by LiFeGe2O6 is Esseneite structured and crystallizes in the monoclinic C2/c space group. Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with eight equivalent Ge(1)O4 tetrahedra and edges with three equivalent Fe(1)O6 octahedra. Fe(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form FeO6 octahedra that share corners with six equivalent Ge(1)O4 tetrahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with three equivalent Li(1)O6 octahedra. Ge(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form GeO4 tetrahedra that share corners with three equivalent Fe(1)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, and corners with two equivalent Ge(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-65°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Fe(1), and one Ge(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Ge(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(1), and one Ge(1) atom. is represented by the CIF file [CIF]
data_LiFe(GeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.620
_cell_length_b   6.620
_cell_length_c   5.271
_cell_angle_alpha   80.972
_cell_angle_beta   80.972
_cell_angle_gamma   85.011
_symmetry_Int_Tables_number   1
_cell_volume   224.850
_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  0.270  0.730  0.250  1.0
  Li  Li1  1  0.730  0.270  0.750  1.0
  Fe  Fe2  1  0.900  0.100  0.250  1.0
  Fe  Fe3  1  0.100  0.900  0.750  1.0
  Ge  Ge4  1  0.392  0.207  0.288  1.0
  Ge  Ge5  1  0.793  0.608  0.212  1.0
  Ge  Ge6  1  0.608  0.793  0.712  1.0
  Ge  Ge7  1  0.207  0.392  0.788  1.0
  O  O8  1  0.969  0.806  0.125  1.0
  O  O9  1  0.705  0.574  0.916  1.0
  O  O10  1  0.031  0.194  0.875  1.0
  O  O11  1  0.806  0.969  0.625  1.0
  O  O12  1  0.426  0.295  0.584  1.0
  O  O13  1  0.194  0.031  0.375  1.0
  O  O14  1  0.126  0.629  0.633  1.0
  O  O15  1  0.371  0.874  0.867  1.0
  O  O16  1  0.574  0.705  0.416  1.0
  O  O17  1  0.629  0.126  0.133  1.0
  O  O18  1  0.295  0.426  0.084  1.0
  O  O19  1  0.874  0.371  0.367  1.0
[/CIF]
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