The material described by Li2CoSn(PO4)2 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Li site, Li(2) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with four equivalent Co(1)O5 trigonal bipyramids, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent P(2)O4 tetrahedra. Co(1) is bonded to one O(6), two equivalent O(3), and two equivalent O(4) atoms to form distorted CoO5 trigonal bipyramids that share corners with four equivalent Li(2)O6 octahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-64°. Sn(1) is bonded in a 6-coordinate geometry to one O(1), one O(5), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form PO4 tetrahedra that share  an edgeedge with one Co(1)O5 trigonal bipyramid. In the second P site, P(2) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with two equivalent Li(2)O6 octahedra, corners with three equivalent Co(1)O5 trigonal bipyramids, and edges with two equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles are 56°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Sn(1), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Co(1), one Sn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(2), one Co(1), one Sn(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Li(2), one Sn(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to two equivalent Li(2), one Co(1), and one P(2) atom. is represented by the CIF card [CIF]
data_Li2CoSn(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.081
_cell_length_b   5.907
_cell_length_c   4.951
_cell_angle_alpha   89.996
_cell_angle_beta   79.544
_cell_angle_gamma   89.996
_symmetry_Int_Tables_number   1
_cell_volume   347.393
_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  1.000  1.0
  Li  Li1  1  1.000  0.500  0.000  1.0
  Li  Li2  1  0.500  1.000  0.500  1.0
  Li  Li3  1  0.500  0.500  0.500  1.0
  Co  Co4  1  0.317  0.250  0.041  1.0
  Co  Co5  1  0.683  0.750  0.959  1.0
  Sn  Sn6  1  0.218  0.750  0.544  1.0
  Sn  Sn7  1  0.782  0.250  0.456  1.0
  P  P8  1  0.105  0.250  0.402  1.0
  P  P9  1  0.419  0.750  0.931  1.0
  P  P10  1  0.581  0.250  0.069  1.0
  P  P11  1  0.895  0.750  0.597  1.0
  O  O12  1  0.004  0.750  0.719  1.0
  O  O13  1  0.085  0.250  0.716  1.0
  O  O14  1  0.182  0.044  0.271  1.0
  O  O15  1  0.182  0.456  0.271  1.0
  O  O16  1  0.365  0.534  0.821  1.0
  O  O17  1  0.365  0.965  0.821  1.0
  O  O18  1  0.405  0.750  0.247  1.0
  O  O19  1  0.457  0.250  0.228  1.0
  O  O20  1  0.543  0.750  0.772  1.0
  O  O21  1  0.595  0.250  0.753  1.0
  O  O22  1  0.635  0.034  0.179  1.0
  O  O23  1  0.635  0.465  0.179  1.0
  O  O24  1  0.818  0.544  0.729  1.0
  O  O25  1  0.818  0.956  0.728  1.0
  O  O26  1  0.915  0.750  0.284  1.0
  O  O27  1  0.996  0.250  0.281  1.0
[/CIF]
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The material described by Li2CoSn(PO4)2 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Li site, Li(2) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with four equivalent Co(1)O5 trigonal bipyramids, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent P(2)O4 tetrahedra. Co(1) is bonded to one O(6), two equivalent O(3), and two equivalent O(4) atoms to form distorted CoO5 trigonal bipyramids that share corners with four equivalent Li(2)O6 octahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-64°. Sn(1) is bonded in a 6-coordinate geometry to one O(1), one O(5), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form PO4 tetrahedra that share  an edgeedge with one Co(1)O5 trigonal bipyramid. In the second P site, P(2) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with two equivalent Li(2)O6 octahedra, corners with three equivalent Co(1)O5 trigonal bipyramids, and edges with two equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles are 56°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Sn(1), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Co(1), one Sn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(2), one Co(1), one Sn(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Li(2), one Sn(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to two equivalent Li(2), one Co(1), and one P(2) atom. is represented by the CIF card [CIF]
data_Li2CoSn(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.081
_cell_length_b   5.907
_cell_length_c   4.951
_cell_angle_alpha   89.996
_cell_angle_beta   79.544
_cell_angle_gamma   89.996
_symmetry_Int_Tables_number   1
_cell_volume   347.393
_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  1.000  1.0
  Li  Li1  1  1.000  0.500  0.000  1.0
  Li  Li2  1  0.500  1.000  0.500  1.0
  Li  Li3  1  0.500  0.500  0.500  1.0
  Co  Co4  1  0.317  0.250  0.041  1.0
  Co  Co5  1  0.683  0.750  0.959  1.0
  Sn  Sn6  1  0.218  0.750  0.544  1.0
  Sn  Sn7  1  0.782  0.250  0.456  1.0
  P  P8  1  0.105  0.250  0.402  1.0
  P  P9  1  0.419  0.750  0.931  1.0
  P  P10  1  0.581  0.250  0.069  1.0
  P  P11  1  0.895  0.750  0.597  1.0
  O  O12  1  0.004  0.750  0.719  1.0
  O  O13  1  0.085  0.250  0.716  1.0
  O  O14  1  0.182  0.044  0.271  1.0
  O  O15  1  0.182  0.456  0.271  1.0
  O  O16  1  0.365  0.534  0.821  1.0
  O  O17  1  0.365  0.965  0.821  1.0
  O  O18  1  0.405  0.750  0.247  1.0
  O  O19  1  0.457  0.250  0.228  1.0
  O  O20  1  0.543  0.750  0.772  1.0
  O  O21  1  0.595  0.250  0.753  1.0
  O  O22  1  0.635  0.034  0.179  1.0
  O  O23  1  0.635  0.465  0.179  1.0
  O  O24  1  0.818  0.544  0.729  1.0
  O  O25  1  0.818  0.956  0.728  1.0
  O  O26  1  0.915  0.750  0.284  1.0
  O  O27  1  0.996  0.250  0.281  1.0
[/CIF]
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