The material described by LiSrPO4 crystallizes in the hexagonal P6_3 space group. Li(1) is bonded to one O(1) and three equivalent O(2) atoms to form LiO4 trigonal pyramids that share corners with four equivalent P(1)O4 tetrahedra. Sr(1) is bonded in a 9-coordinate geometry to three equivalent O(1) and six equivalent O(2) atoms. P(1) is bonded to one O(1) and three equivalent O(2) atoms to form PO4 tetrahedra that share corners with four equivalent Li(1)O4 trigonal pyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Li(1), three equivalent Sr(1), and one P(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Sr(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrLiPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.084
_cell_length_b   5.084
_cell_length_c   8.441
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   188.932
_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
  Sr  Sr0  1  0.000  0.000  0.983  1.0
  Sr  Sr1  1  0.000  0.000  0.483  1.0
  Li  Li2  1  0.667  0.333  0.175  1.0
  Li  Li3  1  0.333  0.667  0.675  1.0
  P  P4  1  0.667  0.333  0.771  1.0
  P  P5  1  0.333  0.667  0.271  1.0
  O  O6  1  0.667  0.333  0.955  1.0
  O  O7  1  0.333  0.667  0.455  1.0
  O  O8  1  0.941  0.303  0.715  1.0
  O  O9  1  0.362  0.059  0.715  1.0
  O  O10  1  0.059  0.697  0.215  1.0
  O  O11  1  0.697  0.638  0.715  1.0
  O  O12  1  0.638  0.941  0.215  1.0
  O  O13  1  0.303  0.362  0.215  1.0
[/CIF]
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The material described by LiSrPO4 crystallizes in the hexagonal P6_3 space group. Li(1) is bonded to one O(1) and three equivalent O(2) atoms to form LiO4 trigonal pyramids that share corners with four equivalent P(1)O4 tetrahedra. Sr(1) is bonded in a 9-coordinate geometry to three equivalent O(1) and six equivalent O(2) atoms. P(1) is bonded to one O(1) and three equivalent O(2) atoms to form PO4 tetrahedra that share corners with four equivalent Li(1)O4 trigonal pyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Li(1), three equivalent Sr(1), and one P(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Sr(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrLiPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.084
_cell_length_b   5.084
_cell_length_c   8.441
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   188.932
_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
  Sr  Sr0  1  0.000  0.000  0.983  1.0
  Sr  Sr1  1  0.000  0.000  0.483  1.0
  Li  Li2  1  0.667  0.333  0.175  1.0
  Li  Li3  1  0.333  0.667  0.675  1.0
  P  P4  1  0.667  0.333  0.771  1.0
  P  P5  1  0.333  0.667  0.271  1.0
  O  O6  1  0.667  0.333  0.955  1.0
  O  O7  1  0.333  0.667  0.455  1.0
  O  O8  1  0.941  0.303  0.715  1.0
  O  O9  1  0.362  0.059  0.715  1.0
  O  O10  1  0.059  0.697  0.215  1.0
  O  O11  1  0.697  0.638  0.715  1.0
  O  O12  1  0.638  0.941  0.215  1.0
  O  O13  1  0.303  0.362  0.215  1.0
[/CIF]
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