The material structure described by Li2SnSe3 is Enargite-like structured and crystallizes in the monoclinic Cc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one Se(1), one Se(3), and two equivalent Se(2) atoms to form LiSe4 tetrahedra that share corners with two equivalent Li(1)Se4 tetrahedra, corners with five equivalent Li(2)Se4 tetrahedra, and corners with five equivalent Sn(1)Se4 tetrahedra. In the second Li site, Li(2) is bonded to one Se(1), one Se(2), and two equivalent Se(3) atoms to form LiSe4 tetrahedra that share corners with two equivalent Li(2)Se4 tetrahedra, corners with five equivalent Li(1)Se4 tetrahedra, and corners with five equivalent Sn(1)Se4 tetrahedra. Sn(1) is bonded to one Se(2), one Se(3), and two equivalent Se(1) atoms to form SnSe4 tetrahedra that share corners with two equivalent Sn(1)Se4 tetrahedra, corners with five equivalent Li(1)Se4 tetrahedra, and corners with five equivalent Li(2)Se4 tetrahedra. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded to one Li(1), one Li(2), and two equivalent Sn(1) atoms to form SeLi2Sn2 tetrahedra that share corners with two equivalent Se(1)Li2Sn2 tetrahedra, corners with five equivalent Se(2)Li3Sn tetrahedra, and corners with five equivalent Se(3)Li3Sn tetrahedra. In the second Se site, Se(2) is bonded to one Li(2), two equivalent Li(1), and one Sn(1) atom to form SeLi3Sn tetrahedra that share corners with two equivalent Se(2)Li3Sn tetrahedra, corners with five equivalent Se(1)Li2Sn2 tetrahedra, and corners with five equivalent Se(3)Li3Sn tetrahedra. In the third Se site, Se(3) is bonded to one Li(1), two equivalent Li(2), and one Sn(1) atom to form SeLi3Sn tetrahedra that share corners with two equivalent Se(3)Li3Sn tetrahedra, corners with five equivalent Se(1)Li2Sn2 tetrahedra, and corners with five equivalent Se(2)Li3Sn tetrahedra. is represented by the CIF card [CIF]
data_Li2SnSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.259
_cell_length_b   7.274
_cell_length_c   7.867
_cell_angle_alpha   116.587
_cell_angle_beta   90.000
_cell_angle_gamma   119.934
_symmetry_Int_Tables_number   1
_cell_volume   308.278
_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  0.379  0.883  0.347  1.0
  Li  Li1  1  0.504  0.883  0.847  1.0
  Li  Li2  1  0.028  0.234  0.380  1.0
  Li  Li3  1  0.207  0.234  0.880  1.0
  Sn  Sn4  1  0.676  0.520  0.346  1.0
  Sn  Sn5  1  0.844  0.520  0.846  1.0
  Se  Se6  1  0.978  0.799  0.235  1.0
  Se  Se7  1  0.821  0.799  0.735  1.0
  Se  Se8  1  0.664  0.133  0.223  1.0
  Se  Se9  1  0.469  0.133  0.723  1.0
  Se  Se10  1  0.320  0.469  0.251  1.0
  Se  Se11  1  0.150  0.469  0.751  1.0
[/CIF]
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The material structure described by Li2SnSe3 is Enargite-like structured and crystallizes in the monoclinic Cc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one Se(1), one Se(3), and two equivalent Se(2) atoms to form LiSe4 tetrahedra that share corners with two equivalent Li(1)Se4 tetrahedra, corners with five equivalent Li(2)Se4 tetrahedra, and corners with five equivalent Sn(1)Se4 tetrahedra. In the second Li site, Li(2) is bonded to one Se(1), one Se(2), and two equivalent Se(3) atoms to form LiSe4 tetrahedra that share corners with two equivalent Li(2)Se4 tetrahedra, corners with five equivalent Li(1)Se4 tetrahedra, and corners with five equivalent Sn(1)Se4 tetrahedra. Sn(1) is bonded to one Se(2), one Se(3), and two equivalent Se(1) atoms to form SnSe4 tetrahedra that share corners with two equivalent Sn(1)Se4 tetrahedra, corners with five equivalent Li(1)Se4 tetrahedra, and corners with five equivalent Li(2)Se4 tetrahedra. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded to one Li(1), one Li(2), and two equivalent Sn(1) atoms to form SeLi2Sn2 tetrahedra that share corners with two equivalent Se(1)Li2Sn2 tetrahedra, corners with five equivalent Se(2)Li3Sn tetrahedra, and corners with five equivalent Se(3)Li3Sn tetrahedra. In the second Se site, Se(2) is bonded to one Li(2), two equivalent Li(1), and one Sn(1) atom to form SeLi3Sn tetrahedra that share corners with two equivalent Se(2)Li3Sn tetrahedra, corners with five equivalent Se(1)Li2Sn2 tetrahedra, and corners with five equivalent Se(3)Li3Sn tetrahedra. In the third Se site, Se(3) is bonded to one Li(1), two equivalent Li(2), and one Sn(1) atom to form SeLi3Sn tetrahedra that share corners with two equivalent Se(3)Li3Sn tetrahedra, corners with five equivalent Se(1)Li2Sn2 tetrahedra, and corners with five equivalent Se(2)Li3Sn tetrahedra. is represented by the CIF card [CIF]
data_Li2SnSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.259
_cell_length_b   7.274
_cell_length_c   7.867
_cell_angle_alpha   116.587
_cell_angle_beta   90.000
_cell_angle_gamma   119.934
_symmetry_Int_Tables_number   1
_cell_volume   308.278
_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  0.379  0.883  0.347  1.0
  Li  Li1  1  0.504  0.883  0.847  1.0
  Li  Li2  1  0.028  0.234  0.380  1.0
  Li  Li3  1  0.207  0.234  0.880  1.0
  Sn  Sn4  1  0.676  0.520  0.346  1.0
  Sn  Sn5  1  0.844  0.520  0.846  1.0
  Se  Se6  1  0.978  0.799  0.235  1.0
  Se  Se7  1  0.821  0.799  0.735  1.0
  Se  Se8  1  0.664  0.133  0.223  1.0
  Se  Se9  1  0.469  0.133  0.723  1.0
  Se  Se10  1  0.320  0.469  0.251  1.0
  Se  Se11  1  0.150  0.469  0.751  1.0
[/CIF]
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