The material described by Li2In(PO4)2 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), and two equivalent O(3) atoms. In(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form InO6 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 three equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-57°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one In(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one In(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Li(1), one In(1), and one P(1) atom. is represented by the CIF file [CIF]
data_Li2In(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.443
_cell_length_b   4.915
_cell_length_c   8.532
_cell_angle_alpha   64.579
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   319.746
_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  0.373  0.948  0.161  1.0
  Li  Li1  1  0.627  0.052  0.839  1.0
  Li  Li2  1  0.873  0.052  0.339  1.0
  Li  Li3  1  0.127  0.948  0.661  1.0
  In  In4  1  0.000  0.000  0.000  1.0
  In  In5  1  0.500  0.000  0.500  1.0
  P  P6  1  0.657  0.654  0.234  1.0
  P  P7  1  0.343  0.346  0.766  1.0
  P  P8  1  0.157  0.346  0.266  1.0
  P  P9  1  0.843  0.654  0.734  1.0
  O  O10  1  0.819  0.816  0.201  1.0
  O  O11  1  0.181  0.184  0.799  1.0
  O  O12  1  0.319  0.184  0.299  1.0
  O  O13  1  0.681  0.816  0.701  1.0
  O  O14  1  0.681  0.308  0.330  1.0
  O  O15  1  0.319  0.692  0.670  1.0
  O  O16  1  0.181  0.692  0.170  1.0
  O  O17  1  0.819  0.308  0.830  1.0
  O  O18  1  0.568  0.730  0.061  1.0
  O  O19  1  0.432  0.270  0.939  1.0
  O  O20  1  0.068  0.270  0.439  1.0
  O  O21  1  0.932  0.730  0.561  1.0
  O  O22  1  0.546  0.757  0.343  1.0
  O  O23  1  0.454  0.243  0.657  1.0
  O  O24  1  0.046  0.243  0.157  1.0
  O  O25  1  0.954  0.757  0.843  1.0
[/CIF]
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The material described by Li2In(PO4)2 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), and two equivalent O(3) atoms. In(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form InO6 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 three equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-57°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one In(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one In(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Li(1), one In(1), and one P(1) atom. is represented by the CIF file [CIF]
data_Li2In(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.443
_cell_length_b   4.915
_cell_length_c   8.532
_cell_angle_alpha   64.579
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   319.746
_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  0.373  0.948  0.161  1.0
  Li  Li1  1  0.627  0.052  0.839  1.0
  Li  Li2  1  0.873  0.052  0.339  1.0
  Li  Li3  1  0.127  0.948  0.661  1.0
  In  In4  1  0.000  0.000  0.000  1.0
  In  In5  1  0.500  0.000  0.500  1.0
  P  P6  1  0.657  0.654  0.234  1.0
  P  P7  1  0.343  0.346  0.766  1.0
  P  P8  1  0.157  0.346  0.266  1.0
  P  P9  1  0.843  0.654  0.734  1.0
  O  O10  1  0.819  0.816  0.201  1.0
  O  O11  1  0.181  0.184  0.799  1.0
  O  O12  1  0.319  0.184  0.299  1.0
  O  O13  1  0.681  0.816  0.701  1.0
  O  O14  1  0.681  0.308  0.330  1.0
  O  O15  1  0.319  0.692  0.670  1.0
  O  O16  1  0.181  0.692  0.170  1.0
  O  O17  1  0.819  0.308  0.830  1.0
  O  O18  1  0.568  0.730  0.061  1.0
  O  O19  1  0.432  0.270  0.939  1.0
  O  O20  1  0.068  0.270  0.439  1.0
  O  O21  1  0.932  0.730  0.561  1.0
  O  O22  1  0.546  0.757  0.343  1.0
  O  O23  1  0.454  0.243  0.657  1.0
  O  O24  1  0.046  0.243  0.157  1.0
  O  O25  1  0.954  0.757  0.843  1.0
[/CIF]
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