The material described by LiPTeO5 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded in a distorted square co-planar geometry to two equivalent O(2) and two equivalent O(3) atoms. P(1) is bonded to one O(1), one O(4), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with four equivalent Te(1)O5 square pyramids. Te(1) is bonded to one O(1), one O(2), one O(4), and two equivalent O(3) atoms to form distorted TeO5 square pyramids that share corners with four equivalent P(1)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one P(1) and one Te(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Li(1) and one Te(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one P(1), and one Te(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one P(1) and one Te(1) atom. is represented by the CIF card [CIF]
data_LiTePO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.816
_cell_length_b   7.366
_cell_length_c   8.762
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   439.858
_cell_formula_units_Z   4
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  0.000  0.000  1.0
  Li  Li2  1  0.000  0.500  0.500  1.0
  Li  Li3  1  0.500  0.500  0.500  1.0
  Te  Te4  1  0.250  0.722  0.137  1.0
  Te  Te5  1  0.750  0.222  0.363  1.0
  Te  Te6  1  0.250  0.778  0.637  1.0
  Te  Te7  1  0.750  0.278  0.863  1.0
  P  P8  1  0.750  0.637  0.127  1.0
  P  P9  1  0.250  0.137  0.373  1.0
  P  P10  1  0.750  0.863  0.627  1.0
  P  P11  1  0.250  0.363  0.873  1.0
  O  O12  1  0.250  0.473  0.026  1.0
  O  O13  1  0.750  0.143  0.042  1.0
  O  O14  1  0.568  0.766  0.124  1.0
  O  O15  1  0.932  0.766  0.124  1.0
  O  O16  1  0.250  0.016  0.230  1.0
  O  O17  1  0.750  0.516  0.270  1.0
  O  O18  1  0.068  0.266  0.376  1.0
  O  O19  1  0.432  0.266  0.376  1.0
  O  O20  1  0.250  0.643  0.458  1.0
  O  O21  1  0.750  0.973  0.474  1.0
  O  O22  1  0.250  0.027  0.526  1.0
  O  O23  1  0.750  0.357  0.542  1.0
  O  O24  1  0.568  0.734  0.624  1.0
  O  O25  1  0.932  0.734  0.624  1.0
  O  O26  1  0.250  0.484  0.730  1.0
  O  O27  1  0.750  0.984  0.770  1.0
  O  O28  1  0.068  0.234  0.876  1.0
  O  O29  1  0.432  0.234  0.876  1.0
  O  O30  1  0.250  0.857  0.958  1.0
  O  O31  1  0.750  0.527  0.974  1.0
[/CIF]
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The material described by LiPTeO5 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded in a distorted square co-planar geometry to two equivalent O(2) and two equivalent O(3) atoms. P(1) is bonded to one O(1), one O(4), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with four equivalent Te(1)O5 square pyramids. Te(1) is bonded to one O(1), one O(2), one O(4), and two equivalent O(3) atoms to form distorted TeO5 square pyramids that share corners with four equivalent P(1)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one P(1) and one Te(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Li(1) and one Te(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one P(1), and one Te(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one P(1) and one Te(1) atom. is represented by the CIF card [CIF]
data_LiTePO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.816
_cell_length_b   7.366
_cell_length_c   8.762
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   439.858
_cell_formula_units_Z   4
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  0.000  0.000  1.0
  Li  Li2  1  0.000  0.500  0.500  1.0
  Li  Li3  1  0.500  0.500  0.500  1.0
  Te  Te4  1  0.250  0.722  0.137  1.0
  Te  Te5  1  0.750  0.222  0.363  1.0
  Te  Te6  1  0.250  0.778  0.637  1.0
  Te  Te7  1  0.750  0.278  0.863  1.0
  P  P8  1  0.750  0.637  0.127  1.0
  P  P9  1  0.250  0.137  0.373  1.0
  P  P10  1  0.750  0.863  0.627  1.0
  P  P11  1  0.250  0.363  0.873  1.0
  O  O12  1  0.250  0.473  0.026  1.0
  O  O13  1  0.750  0.143  0.042  1.0
  O  O14  1  0.568  0.766  0.124  1.0
  O  O15  1  0.932  0.766  0.124  1.0
  O  O16  1  0.250  0.016  0.230  1.0
  O  O17  1  0.750  0.516  0.270  1.0
  O  O18  1  0.068  0.266  0.376  1.0
  O  O19  1  0.432  0.266  0.376  1.0
  O  O20  1  0.250  0.643  0.458  1.0
  O  O21  1  0.750  0.973  0.474  1.0
  O  O22  1  0.250  0.027  0.526  1.0
  O  O23  1  0.750  0.357  0.542  1.0
  O  O24  1  0.568  0.734  0.624  1.0
  O  O25  1  0.932  0.734  0.624  1.0
  O  O26  1  0.250  0.484  0.730  1.0
  O  O27  1  0.750  0.984  0.770  1.0
  O  O28  1  0.068  0.234  0.876  1.0
  O  O29  1  0.432  0.234  0.876  1.0
  O  O30  1  0.250  0.857  0.958  1.0
  O  O31  1  0.750  0.527  0.974  1.0
[/CIF]
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