The material structure described by LiAlGeO4 crystallizes in the trigonal R3 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(6), and one O(8) atom to form LiO4 tetrahedra that share corners with two equivalent Al(1)O4 tetrahedra, corners with two equivalent Al(2)O4 tetrahedra, corners with two equivalent Ge(1)O4 tetrahedra, and corners with two equivalent Ge(2)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(2), one O(4), one O(5), and one O(7) atom to form LiO4 tetrahedra that share corners with two equivalent Al(1)O4 tetrahedra, corners with two equivalent Al(2)O4 tetrahedra, corners with two equivalent Ge(1)O4 tetrahedra, and corners with two equivalent Ge(2)O4 tetrahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(1), one O(4), one O(7), and one O(8) atom to form AlO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Ge(1)O4 tetrahedra, and corners with two equivalent Ge(2)O4 tetrahedra. In the second Al site, Al(2) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form AlO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Ge(1)O4 tetrahedra, and corners with two equivalent Ge(2)O4 tetrahedra. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to one O(2), one O(3), one O(7), and one O(8) atom to form GeO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Al(1)O4 tetrahedra, and corners with two equivalent Al(2)O4 tetrahedra. In the second Ge site, Ge(2) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form GeO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Al(1)O4 tetrahedra, and corners with two equivalent Al(2)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a trigonal planar geometry to one Li(2), one Al(2), and one Ge(2) atom. In the second O site, O(6) is bonded in a trigonal planar geometry to one Li(1), one Al(2), and one Ge(2) atom. In the third O site, O(7) is bonded in a trigonal planar geometry to one Li(2), one Al(1), and one Ge(1) atom. In the fourth O site, O(8) is bonded in a trigonal planar geometry to one Li(1), one Al(1), and one Ge(1) atom. In the fifth O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one Al(1), and one Ge(2) atom. In the sixth O site, O(2) is bonded in a trigonal planar geometry to one Li(2), one Al(2), and one Ge(1) atom. In the seventh O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Al(2), and one Ge(1) atom. In the eighth O site, O(4) is bonded in a trigonal planar geometry to one Li(2), one Al(1), and one Ge(2) atom. is represented by the CIF card [CIF]
data_LiAlGeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.518
_cell_length_b   8.518
_cell_length_c   8.518
_cell_angle_alpha   107.857
_cell_angle_beta   107.857
_cell_angle_gamma   107.857
_symmetry_Int_Tables_number   1
_cell_volume   502.145
_cell_formula_units_Z   6
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  0.059  0.229  0.459  1.0
  Li  Li1  1  0.459  0.059  0.229  1.0
  Li  Li2  1  0.229  0.459  0.059  1.0
  Li  Li3  1  0.940  0.770  0.540  1.0
  Li  Li4  1  0.540  0.940  0.770  1.0
  Li  Li5  1  0.770  0.540  0.940  1.0
  Al  Al6  1  0.132  0.722  0.900  1.0
  Al  Al7  1  0.900  0.132  0.722  1.0
  Al  Al8  1  0.722  0.900  0.132  1.0
  Al  Al9  1  0.613  0.433  0.207  1.0
  Al  Al10  1  0.207  0.613  0.433  1.0
  Al  Al11  1  0.433  0.207  0.613  1.0
  Ge  Ge12  1  0.868  0.279  0.101  1.0
  Ge  Ge13  1  0.101  0.868  0.279  1.0
  Ge  Ge14  1  0.279  0.101  0.868  1.0
  Ge  Ge15  1  0.387  0.568  0.795  1.0
  Ge  Ge16  1  0.795  0.387  0.568  1.0
  Ge  Ge17  1  0.568  0.795  0.387  1.0
  O  O18  1  0.252  0.588  0.912  1.0
  O  O19  1  0.912  0.252  0.588  1.0
  O  O20  1  0.588  0.912  0.252  1.0
  O  O21  1  0.747  0.411  0.088  1.0
  O  O22  1  0.088  0.747  0.411  1.0
  O  O23  1  0.411  0.088  0.747  1.0
  O  O24  1  0.325  0.045  0.379  1.0
  O  O25  1  0.379  0.325  0.045  1.0
  O  O26  1  0.045  0.379  0.325  1.0
  O  O27  1  0.674  0.954  0.620  1.0
  O  O28  1  0.620  0.674  0.954  1.0
  O  O29  1  0.954  0.620  0.674  1.0
  O  O30  1  0.356  0.688  0.661  1.0
  O  O31  1  0.661  0.356  0.688  1.0
  O  O32  1  0.688  0.661  0.356  1.0
  O  O33  1  0.645  0.312  0.339  1.0
  O  O34  1  0.339  0.645  0.312  1.0
  O  O35  1  0.312  0.339  0.645  1.0
  O  O36  1  0.050  0.030  0.718  1.0
  O  O37  1  0.718  0.050  0.030  1.0
  O  O38  1  0.030  0.718  0.050  1.0
  O  O39  1  0.951  0.970  0.282  1.0
  O  O40  1  0.282  0.951  0.970  1.0
  O  O41  1  0.970  0.282  0.951  1.0
[/CIF]
.
The material structure described by LiAlGeO4 crystallizes in the trigonal R3 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(6), and one O(8) atom to form LiO4 tetrahedra that share corners with two equivalent Al(1)O4 tetrahedra, corners with two equivalent Al(2)O4 tetrahedra, corners with two equivalent Ge(1)O4 tetrahedra, and corners with two equivalent Ge(2)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(2), one O(4), one O(5), and one O(7) atom to form LiO4 tetrahedra that share corners with two equivalent Al(1)O4 tetrahedra, corners with two equivalent Al(2)O4 tetrahedra, corners with two equivalent Ge(1)O4 tetrahedra, and corners with two equivalent Ge(2)O4 tetrahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(1), one O(4), one O(7), and one O(8) atom to form AlO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Ge(1)O4 tetrahedra, and corners with two equivalent Ge(2)O4 tetrahedra. In the second Al site, Al(2) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form AlO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Ge(1)O4 tetrahedra, and corners with two equivalent Ge(2)O4 tetrahedra. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to one O(2), one O(3), one O(7), and one O(8) atom to form GeO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Al(1)O4 tetrahedra, and corners with two equivalent Al(2)O4 tetrahedra. In the second Ge site, Ge(2) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form GeO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Al(1)O4 tetrahedra, and corners with two equivalent Al(2)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a trigonal planar geometry to one Li(2), one Al(2), and one Ge(2) atom. In the second O site, O(6) is bonded in a trigonal planar geometry to one Li(1), one Al(2), and one Ge(2) atom. In the third O site, O(7) is bonded in a trigonal planar geometry to one Li(2), one Al(1), and one Ge(1) atom. In the fourth O site, O(8) is bonded in a trigonal planar geometry to one Li(1), one Al(1), and one Ge(1) atom. In the fifth O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one Al(1), and one Ge(2) atom. In the sixth O site, O(2) is bonded in a trigonal planar geometry to one Li(2), one Al(2), and one Ge(1) atom. In the seventh O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Al(2), and one Ge(1) atom. In the eighth O site, O(4) is bonded in a trigonal planar geometry to one Li(2), one Al(1), and one Ge(2) atom. is represented by the CIF card [CIF]
data_LiAlGeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.518
_cell_length_b   8.518
_cell_length_c   8.518
_cell_angle_alpha   107.857
_cell_angle_beta   107.857
_cell_angle_gamma   107.857
_symmetry_Int_Tables_number   1
_cell_volume   502.145
_cell_formula_units_Z   6
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  0.059  0.229  0.459  1.0
  Li  Li1  1  0.459  0.059  0.229  1.0
  Li  Li2  1  0.229  0.459  0.059  1.0
  Li  Li3  1  0.940  0.770  0.540  1.0
  Li  Li4  1  0.540  0.940  0.770  1.0
  Li  Li5  1  0.770  0.540  0.940  1.0
  Al  Al6  1  0.132  0.722  0.900  1.0
  Al  Al7  1  0.900  0.132  0.722  1.0
  Al  Al8  1  0.722  0.900  0.132  1.0
  Al  Al9  1  0.613  0.433  0.207  1.0
  Al  Al10  1  0.207  0.613  0.433  1.0
  Al  Al11  1  0.433  0.207  0.613  1.0
  Ge  Ge12  1  0.868  0.279  0.101  1.0
  Ge  Ge13  1  0.101  0.868  0.279  1.0
  Ge  Ge14  1  0.279  0.101  0.868  1.0
  Ge  Ge15  1  0.387  0.568  0.795  1.0
  Ge  Ge16  1  0.795  0.387  0.568  1.0
  Ge  Ge17  1  0.568  0.795  0.387  1.0
  O  O18  1  0.252  0.588  0.912  1.0
  O  O19  1  0.912  0.252  0.588  1.0
  O  O20  1  0.588  0.912  0.252  1.0
  O  O21  1  0.747  0.411  0.088  1.0
  O  O22  1  0.088  0.747  0.411  1.0
  O  O23  1  0.411  0.088  0.747  1.0
  O  O24  1  0.325  0.045  0.379  1.0
  O  O25  1  0.379  0.325  0.045  1.0
  O  O26  1  0.045  0.379  0.325  1.0
  O  O27  1  0.674  0.954  0.620  1.0
  O  O28  1  0.620  0.674  0.954  1.0
  O  O29  1  0.954  0.620  0.674  1.0
  O  O30  1  0.356  0.688  0.661  1.0
  O  O31  1  0.661  0.356  0.688  1.0
  O  O32  1  0.688  0.661  0.356  1.0
  O  O33  1  0.645  0.312  0.339  1.0
  O  O34  1  0.339  0.645  0.312  1.0
  O  O35  1  0.312  0.339  0.645  1.0
  O  O36  1  0.050  0.030  0.718  1.0
  O  O37  1  0.718  0.050  0.030  1.0
  O  O38  1  0.030  0.718  0.050  1.0
  O  O39  1  0.951  0.970  0.282  1.0
  O  O40  1  0.282  0.951  0.970  1.0
  O  O41  1  0.970  0.282  0.951  1.0
[/CIF]
.