The material described by LiIn4(Ge2O7)2 crystallizes in the trigonal R3m space group. Li(1) is bonded in a 4-coordinate geometry to three equivalent In(1), one O(2), three equivalent O(3), and three equivalent O(6) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 9-coordinate geometry to one Li(1), one O(1), one O(2), one O(4), one O(6), two equivalent O(3), and two equivalent O(5) atoms. In the second In site, In(2) is bonded to one O(1), one O(2), three equivalent O(4), and three equivalent O(6) atoms to form distorted InO8 hexagonal bipyramids that share edges with six equivalent Ge(1)O6 octahedra. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to one O(3), one O(5), two equivalent O(4), and two equivalent O(6) atoms to form GeO6 octahedra that share corners with two equivalent Ge(2)O6 octahedra, corners with four equivalent Ge(1)O6 octahedra, and edges with two equivalent In(2)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 45-49°. In the second Ge site, Ge(2) is bonded to three equivalent O(3) and three equivalent O(5) atoms to form corner-sharing GeO6 octahedra. The corner-sharing octahedral tilt angles range from 46-49°. There are six inequivalent O sites. In the first O site, O(5) is bonded to two equivalent In(1), one Ge(1), and one Ge(2) atom to form distorted OIn2Ge2 tetrahedra that share corners with four equivalent O(5)In2Ge2 tetrahedra, corners with two equivalent O(2)LiIn4 trigonal bipyramids,  an edgeedge with one O(1)In4 tetrahedra, and edges with two equivalent O(4)In2Ge2 tetrahedra. In the second O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one In(1), one In(2), and two equivalent Ge(1) atoms. In the third O site, O(1) is bonded to one In(2) and three equivalent In(1) atoms to form OIn4 tetrahedra that share corners with six equivalent O(4)In2Ge2 tetrahedra, corners with four equivalent O(2)LiIn4 trigonal bipyramids, and edges with three equivalent O(5)In2Ge2 tetrahedra. In the fourth O site, O(2) is bonded to one Li(1), one In(2), and three equivalent In(1) atoms to form distorted OLiIn4 trigonal bipyramids that share corners with four equivalent O(1)In4 tetrahedra, corners with six equivalent O(5)In2Ge2 tetrahedra, and edges with three equivalent O(4)In2Ge2 tetrahedra. In the fifth O site, O(3) is bonded in a 5-coordinate geometry to one Li(1), two equivalent In(1), one Ge(1), and one Ge(2) atom. In the sixth O site, O(4) is bonded to one In(1), one In(2), and two equivalent Ge(1) atoms to form distorted OIn2Ge2 tetrahedra that share corners with two equivalent O(1)In4 tetrahedra, corners with four equivalent O(4)In2Ge2 tetrahedra, edges with two equivalent O(5)In2Ge2 tetrahedra, and  an edgeedge with one O(2)LiIn4 trigonal bipyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiIn4(Ge2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.124
_cell_length_b   7.124
_cell_length_c   7.124
_cell_angle_alpha   59.566
_cell_angle_beta   59.566
_cell_angle_gamma   59.566
_symmetry_Int_Tables_number   1
_cell_volume   253.090
_cell_formula_units_Z   1
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  0.747  0.747  0.747  1.0
  In  In1  1  0.482  0.482  0.005  1.0
  In  In2  1  0.482  0.005  0.482  1.0
  In  In3  1  0.005  0.482  0.482  1.0
  In  In4  1  0.499  0.499  0.499  1.0
  Ge  Ge5  1  0.002  0.002  0.498  1.0
  Ge  Ge6  1  0.002  0.498  0.002  1.0
  Ge  Ge7  1  0.498  0.002  0.002  1.0
  Ge  Ge8  1  0.004  0.004  0.004  1.0
  O  O9  1  0.375  0.375  0.375  1.0
  O  O10  1  0.629  0.629  0.629  1.0
  O  O11  1  0.331  0.923  0.923  1.0
  O  O12  1  0.922  0.329  0.329  1.0
  O  O13  1  0.923  0.331  0.923  1.0
  O  O14  1  0.329  0.922  0.329  1.0
  O  O15  1  0.923  0.923  0.331  1.0
  O  O16  1  0.329  0.329  0.922  1.0
  O  O17  1  0.671  0.080  0.080  1.0
  O  O18  1  0.073  0.677  0.677  1.0
  O  O19  1  0.080  0.671  0.080  1.0
  O  O20  1  0.677  0.073  0.677  1.0
  O  O21  1  0.080  0.080  0.671  1.0
  O  O22  1  0.677  0.677  0.073  1.0
[/CIF]
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The material described by LiIn4(Ge2O7)2 crystallizes in the trigonal R3m space group. Li(1) is bonded in a 4-coordinate geometry to three equivalent In(1), one O(2), three equivalent O(3), and three equivalent O(6) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 9-coordinate geometry to one Li(1), one O(1), one O(2), one O(4), one O(6), two equivalent O(3), and two equivalent O(5) atoms. In the second In site, In(2) is bonded to one O(1), one O(2), three equivalent O(4), and three equivalent O(6) atoms to form distorted InO8 hexagonal bipyramids that share edges with six equivalent Ge(1)O6 octahedra. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to one O(3), one O(5), two equivalent O(4), and two equivalent O(6) atoms to form GeO6 octahedra that share corners with two equivalent Ge(2)O6 octahedra, corners with four equivalent Ge(1)O6 octahedra, and edges with two equivalent In(2)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 45-49°. In the second Ge site, Ge(2) is bonded to three equivalent O(3) and three equivalent O(5) atoms to form corner-sharing GeO6 octahedra. The corner-sharing octahedral tilt angles range from 46-49°. There are six inequivalent O sites. In the first O site, O(5) is bonded to two equivalent In(1), one Ge(1), and one Ge(2) atom to form distorted OIn2Ge2 tetrahedra that share corners with four equivalent O(5)In2Ge2 tetrahedra, corners with two equivalent O(2)LiIn4 trigonal bipyramids,  an edgeedge with one O(1)In4 tetrahedra, and edges with two equivalent O(4)In2Ge2 tetrahedra. In the second O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one In(1), one In(2), and two equivalent Ge(1) atoms. In the third O site, O(1) is bonded to one In(2) and three equivalent In(1) atoms to form OIn4 tetrahedra that share corners with six equivalent O(4)In2Ge2 tetrahedra, corners with four equivalent O(2)LiIn4 trigonal bipyramids, and edges with three equivalent O(5)In2Ge2 tetrahedra. In the fourth O site, O(2) is bonded to one Li(1), one In(2), and three equivalent In(1) atoms to form distorted OLiIn4 trigonal bipyramids that share corners with four equivalent O(1)In4 tetrahedra, corners with six equivalent O(5)In2Ge2 tetrahedra, and edges with three equivalent O(4)In2Ge2 tetrahedra. In the fifth O site, O(3) is bonded in a 5-coordinate geometry to one Li(1), two equivalent In(1), one Ge(1), and one Ge(2) atom. In the sixth O site, O(4) is bonded to one In(1), one In(2), and two equivalent Ge(1) atoms to form distorted OIn2Ge2 tetrahedra that share corners with two equivalent O(1)In4 tetrahedra, corners with four equivalent O(4)In2Ge2 tetrahedra, edges with two equivalent O(5)In2Ge2 tetrahedra, and  an edgeedge with one O(2)LiIn4 trigonal bipyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiIn4(Ge2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.124
_cell_length_b   7.124
_cell_length_c   7.124
_cell_angle_alpha   59.566
_cell_angle_beta   59.566
_cell_angle_gamma   59.566
_symmetry_Int_Tables_number   1
_cell_volume   253.090
_cell_formula_units_Z   1
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  0.747  0.747  0.747  1.0
  In  In1  1  0.482  0.482  0.005  1.0
  In  In2  1  0.482  0.005  0.482  1.0
  In  In3  1  0.005  0.482  0.482  1.0
  In  In4  1  0.499  0.499  0.499  1.0
  Ge  Ge5  1  0.002  0.002  0.498  1.0
  Ge  Ge6  1  0.002  0.498  0.002  1.0
  Ge  Ge7  1  0.498  0.002  0.002  1.0
  Ge  Ge8  1  0.004  0.004  0.004  1.0
  O  O9  1  0.375  0.375  0.375  1.0
  O  O10  1  0.629  0.629  0.629  1.0
  O  O11  1  0.331  0.923  0.923  1.0
  O  O12  1  0.922  0.329  0.329  1.0
  O  O13  1  0.923  0.331  0.923  1.0
  O  O14  1  0.329  0.922  0.329  1.0
  O  O15  1  0.923  0.923  0.331  1.0
  O  O16  1  0.329  0.329  0.922  1.0
  O  O17  1  0.671  0.080  0.080  1.0
  O  O18  1  0.073  0.677  0.677  1.0
  O  O19  1  0.080  0.671  0.080  1.0
  O  O20  1  0.677  0.073  0.677  1.0
  O  O21  1  0.080  0.080  0.671  1.0
  O  O22  1  0.677  0.677  0.073  1.0
[/CIF]
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