The material described by LiGe2(PO4)3 crystallizes in the trigonal R-3 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted hexagonal planar geometry to six equivalent O(2) atoms. In the second Li site, Li(2) is bonded in a distorted hexagonal planar geometry to six equivalent O(1) atoms. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form GeO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. In the second Ge site, Ge(2) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form GeO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Ge(1)O6 octahedra and corners with two equivalent Ge(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-42°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(2), one Ge(1), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Ge(2), and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Ge(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Ge(2) and one P(1) atom. is represented by the CIF card [CIF]
data_LiGe2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.459
_cell_length_b   8.459
_cell_length_c   8.459
_cell_angle_alpha   59.175
_cell_angle_beta   59.175
_cell_angle_gamma   59.175
_symmetry_Int_Tables_number   1
_cell_volume   419.887
_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  0.000  0.000  0.000  1.0
  Li  Li1  1  0.500  0.500  0.500  1.0
  Ge  Ge2  1  0.642  0.642  0.642  1.0
  Ge  Ge3  1  0.358  0.358  0.358  1.0
  Ge  Ge4  1  0.859  0.859  0.859  1.0
  Ge  Ge5  1  0.141  0.141  0.141  1.0
  P  P6  1  0.538  0.962  0.249  1.0
  P  P7  1  0.249  0.538  0.962  1.0
  P  P8  1  0.962  0.249  0.538  1.0
  P  P9  1  0.462  0.038  0.751  1.0
  P  P10  1  0.751  0.462  0.038  1.0
  P  P11  1  0.038  0.751  0.462  1.0
  O  O12  1  0.535  0.778  0.437  1.0
  O  O13  1  0.437  0.535  0.778  1.0
  O  O14  1  0.778  0.437  0.535  1.0
  O  O15  1  0.465  0.222  0.563  1.0
  O  O16  1  0.563  0.465  0.222  1.0
  O  O17  1  0.222  0.563  0.465  1.0
  O  O18  1  0.742  0.920  0.090  1.0
  O  O19  1  0.090  0.742  0.920  1.0
  O  O20  1  0.920  0.090  0.742  1.0
  O  O21  1  0.258  0.080  0.910  1.0
  O  O22  1  0.910  0.258  0.080  1.0
  O  O23  1  0.080  0.910  0.258  1.0
  O  O24  1  0.516  0.141  0.275  1.0
  O  O25  1  0.275  0.516  0.141  1.0
  O  O26  1  0.141  0.275  0.516  1.0
  O  O27  1  0.484  0.859  0.725  1.0
  O  O28  1  0.725  0.484  0.859  1.0
  O  O29  1  0.859  0.725  0.484  1.0
  O  O30  1  0.376  0.995  0.193  1.0
  O  O31  1  0.193  0.376  0.995  1.0
  O  O32  1  0.995  0.193  0.376  1.0
  O  O33  1  0.624  0.005  0.807  1.0
  O  O34  1  0.807  0.624  0.005  1.0
  O  O35  1  0.005  0.807  0.624  1.0
[/CIF]
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The material described by LiGe2(PO4)3 crystallizes in the trigonal R-3 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted hexagonal planar geometry to six equivalent O(2) atoms. In the second Li site, Li(2) is bonded in a distorted hexagonal planar geometry to six equivalent O(1) atoms. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form GeO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. In the second Ge site, Ge(2) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form GeO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Ge(1)O6 octahedra and corners with two equivalent Ge(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-42°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(2), one Ge(1), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Ge(2), and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Ge(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Ge(2) and one P(1) atom. is represented by the CIF card [CIF]
data_LiGe2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.459
_cell_length_b   8.459
_cell_length_c   8.459
_cell_angle_alpha   59.175
_cell_angle_beta   59.175
_cell_angle_gamma   59.175
_symmetry_Int_Tables_number   1
_cell_volume   419.887
_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  0.000  0.000  0.000  1.0
  Li  Li1  1  0.500  0.500  0.500  1.0
  Ge  Ge2  1  0.642  0.642  0.642  1.0
  Ge  Ge3  1  0.358  0.358  0.358  1.0
  Ge  Ge4  1  0.859  0.859  0.859  1.0
  Ge  Ge5  1  0.141  0.141  0.141  1.0
  P  P6  1  0.538  0.962  0.249  1.0
  P  P7  1  0.249  0.538  0.962  1.0
  P  P8  1  0.962  0.249  0.538  1.0
  P  P9  1  0.462  0.038  0.751  1.0
  P  P10  1  0.751  0.462  0.038  1.0
  P  P11  1  0.038  0.751  0.462  1.0
  O  O12  1  0.535  0.778  0.437  1.0
  O  O13  1  0.437  0.535  0.778  1.0
  O  O14  1  0.778  0.437  0.535  1.0
  O  O15  1  0.465  0.222  0.563  1.0
  O  O16  1  0.563  0.465  0.222  1.0
  O  O17  1  0.222  0.563  0.465  1.0
  O  O18  1  0.742  0.920  0.090  1.0
  O  O19  1  0.090  0.742  0.920  1.0
  O  O20  1  0.920  0.090  0.742  1.0
  O  O21  1  0.258  0.080  0.910  1.0
  O  O22  1  0.910  0.258  0.080  1.0
  O  O23  1  0.080  0.910  0.258  1.0
  O  O24  1  0.516  0.141  0.275  1.0
  O  O25  1  0.275  0.516  0.141  1.0
  O  O26  1  0.141  0.275  0.516  1.0
  O  O27  1  0.484  0.859  0.725  1.0
  O  O28  1  0.725  0.484  0.859  1.0
  O  O29  1  0.859  0.725  0.484  1.0
  O  O30  1  0.376  0.995  0.193  1.0
  O  O31  1  0.193  0.376  0.995  1.0
  O  O32  1  0.995  0.193  0.376  1.0
  O  O33  1  0.624  0.005  0.807  1.0
  O  O34  1  0.807  0.624  0.005  1.0
  O  O35  1  0.005  0.807  0.624  1.0
[/CIF]
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