The structure described by LiSiPO5 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. Si(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form SiO6 octahedra that share corners with two equivalent Si(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 34°. P(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with four equivalent Si(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-43°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Si(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 Si(1), and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Si(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1) and two equivalent Si(1) atoms. is represented by the CIF card [CIF]
data_LiSiPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.109
_cell_length_b   7.371
_cell_length_c   6.640
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   298.978
_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  0.500  0.500  1.0
  Li  Li2  1  0.500  0.000  0.000  1.0
  Li  Li3  1  0.000  0.500  0.500  1.0
  Si  Si4  1  0.250  0.771  0.640  1.0
  Si  Si5  1  0.250  0.729  0.140  1.0
  Si  Si6  1  0.750  0.229  0.360  1.0
  Si  Si7  1  0.750  0.271  0.860  1.0
  P  P8  1  0.750  0.884  0.621  1.0
  P  P9  1  0.750  0.616  0.121  1.0
  P  P10  1  0.250  0.116  0.379  1.0
  P  P11  1  0.250  0.384  0.879  1.0
  O  O12  1  0.750  0.015  0.805  1.0
  O  O13  1  0.750  0.485  0.305  1.0
  O  O14  1  0.250  0.985  0.195  1.0
  O  O15  1  0.250  0.515  0.695  1.0
  O  O16  1  0.551  0.757  0.631  1.0
  O  O17  1  0.949  0.743  0.131  1.0
  O  O18  1  0.051  0.243  0.369  1.0
  O  O19  1  0.449  0.257  0.869  1.0
  O  O20  1  0.449  0.243  0.369  1.0
  O  O21  1  0.051  0.257  0.869  1.0
  O  O22  1  0.949  0.757  0.631  1.0
  O  O23  1  0.551  0.743  0.131  1.0
  O  O24  1  0.750  0.998  0.426  1.0
  O  O25  1  0.750  0.502  0.926  1.0
  O  O26  1  0.250  0.002  0.574  1.0
  O  O27  1  0.250  0.498  0.074  1.0
  O  O28  1  0.250  0.819  0.892  1.0
  O  O29  1  0.250  0.681  0.392  1.0
  O  O30  1  0.750  0.181  0.108  1.0
  O  O31  1  0.750  0.319  0.608  1.0
[/CIF]
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The structure described by LiSiPO5 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. Si(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form SiO6 octahedra that share corners with two equivalent Si(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 34°. P(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with four equivalent Si(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-43°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Si(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 Si(1), and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Si(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1) and two equivalent Si(1) atoms. is represented by the CIF card [CIF]
data_LiSiPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.109
_cell_length_b   7.371
_cell_length_c   6.640
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   298.978
_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  0.500  0.500  1.0
  Li  Li2  1  0.500  0.000  0.000  1.0
  Li  Li3  1  0.000  0.500  0.500  1.0
  Si  Si4  1  0.250  0.771  0.640  1.0
  Si  Si5  1  0.250  0.729  0.140  1.0
  Si  Si6  1  0.750  0.229  0.360  1.0
  Si  Si7  1  0.750  0.271  0.860  1.0
  P  P8  1  0.750  0.884  0.621  1.0
  P  P9  1  0.750  0.616  0.121  1.0
  P  P10  1  0.250  0.116  0.379  1.0
  P  P11  1  0.250  0.384  0.879  1.0
  O  O12  1  0.750  0.015  0.805  1.0
  O  O13  1  0.750  0.485  0.305  1.0
  O  O14  1  0.250  0.985  0.195  1.0
  O  O15  1  0.250  0.515  0.695  1.0
  O  O16  1  0.551  0.757  0.631  1.0
  O  O17  1  0.949  0.743  0.131  1.0
  O  O18  1  0.051  0.243  0.369  1.0
  O  O19  1  0.449  0.257  0.869  1.0
  O  O20  1  0.449  0.243  0.369  1.0
  O  O21  1  0.051  0.257  0.869  1.0
  O  O22  1  0.949  0.757  0.631  1.0
  O  O23  1  0.551  0.743  0.131  1.0
  O  O24  1  0.750  0.998  0.426  1.0
  O  O25  1  0.750  0.502  0.926  1.0
  O  O26  1  0.250  0.002  0.574  1.0
  O  O27  1  0.250  0.498  0.074  1.0
  O  O28  1  0.250  0.819  0.892  1.0
  O  O29  1  0.250  0.681  0.392  1.0
  O  O30  1  0.750  0.181  0.108  1.0
  O  O31  1  0.750  0.319  0.608  1.0
[/CIF]
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