The material described by LiCrGe2O6 is Esseneite structured and crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Cr(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CrO6 octahedra that share corners with six equivalent Ge(1)O4 tetrahedra and edges with two equivalent Cr(1)O6 octahedra. Ge(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form GeO4 tetrahedra that share corners with three equivalent Cr(1)O6 octahedra and corners with two equivalent Ge(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-65°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Cr(1), and one Ge(1) atom to form a mixture of corner and edge-sharing OLiCr2Ge tetrahedra. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(1), one Cr(1), and one Ge(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Ge(1) atoms. is represented by the CIF file [CIF]
data_LiCr(GeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.485
_cell_length_b   6.627
_cell_length_c   6.627
_cell_angle_alpha   80.368
_cell_angle_beta   73.952
_cell_angle_gamma   73.952
_symmetry_Int_Tables_number   1
_cell_volume   221.411
_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  0.724  0.276  1.0
  Li  Li1  1  0.250  0.276  0.724  1.0
  Cr  Cr2  1  0.750  0.085  0.915  1.0
  Cr  Cr3  1  0.250  0.915  0.085  1.0
  Ge  Ge4  1  0.748  0.615  0.806  1.0
  Ge  Ge5  1  0.752  0.194  0.385  1.0
  Ge  Ge6  1  0.252  0.385  0.194  1.0
  Ge  Ge7  1  0.248  0.806  0.615  1.0
  O  O8  1  0.642  0.806  0.988  1.0
  O  O9  1  0.858  0.012  0.194  1.0
  O  O10  1  0.358  0.194  0.012  1.0
  O  O11  1  0.142  0.988  0.806  1.0
  O  O12  1  0.786  0.361  0.925  1.0
  O  O13  1  0.714  0.075  0.639  1.0
  O  O14  1  0.214  0.639  0.075  1.0
  O  O15  1  0.286  0.925  0.361  1.0
  O  O16  1  0.577  0.670  0.607  1.0
  O  O17  1  0.923  0.393  0.330  1.0
  O  O18  1  0.423  0.330  0.393  1.0
  O  O19  1  0.077  0.607  0.670  1.0
[/CIF]
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The material described by LiCrGe2O6 is Esseneite structured and crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Cr(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CrO6 octahedra that share corners with six equivalent Ge(1)O4 tetrahedra and edges with two equivalent Cr(1)O6 octahedra. Ge(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form GeO4 tetrahedra that share corners with three equivalent Cr(1)O6 octahedra and corners with two equivalent Ge(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-65°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Cr(1), and one Ge(1) atom to form a mixture of corner and edge-sharing OLiCr2Ge tetrahedra. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(1), one Cr(1), and one Ge(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Ge(1) atoms. is represented by the CIF file [CIF]
data_LiCr(GeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.485
_cell_length_b   6.627
_cell_length_c   6.627
_cell_angle_alpha   80.368
_cell_angle_beta   73.952
_cell_angle_gamma   73.952
_symmetry_Int_Tables_number   1
_cell_volume   221.411
_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  0.724  0.276  1.0
  Li  Li1  1  0.250  0.276  0.724  1.0
  Cr  Cr2  1  0.750  0.085  0.915  1.0
  Cr  Cr3  1  0.250  0.915  0.085  1.0
  Ge  Ge4  1  0.748  0.615  0.806  1.0
  Ge  Ge5  1  0.752  0.194  0.385  1.0
  Ge  Ge6  1  0.252  0.385  0.194  1.0
  Ge  Ge7  1  0.248  0.806  0.615  1.0
  O  O8  1  0.642  0.806  0.988  1.0
  O  O9  1  0.858  0.012  0.194  1.0
  O  O10  1  0.358  0.194  0.012  1.0
  O  O11  1  0.142  0.988  0.806  1.0
  O  O12  1  0.786  0.361  0.925  1.0
  O  O13  1  0.714  0.075  0.639  1.0
  O  O14  1  0.214  0.639  0.075  1.0
  O  O15  1  0.286  0.925  0.361  1.0
  O  O16  1  0.577  0.670  0.607  1.0
  O  O17  1  0.923  0.393  0.330  1.0
  O  O18  1  0.423  0.330  0.393  1.0
  O  O19  1  0.077  0.607  0.670  1.0
[/CIF]
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