The material structure described by Li2MnSnS4 is Stannite-like structured and crystallizes in the orthorhombic Pna2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form LiS4 tetrahedra that share corners with four equivalent Li(2)S4 tetrahedra, corners with four equivalent Mn(1)S4 tetrahedra, and corners with four equivalent Sn(1)S4 tetrahedra. In the second Li site, Li(2) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form LiS4 tetrahedra that share corners with four equivalent Li(1)S4 tetrahedra, corners with four equivalent Mn(1)S4 tetrahedra, and corners with four equivalent Sn(1)S4 tetrahedra. Mn(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form MnS4 tetrahedra that share corners with four equivalent Li(1)S4 tetrahedra, corners with four equivalent Li(2)S4 tetrahedra, and corners with four equivalent Sn(1)S4 tetrahedra. Sn(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form SnS4 tetrahedra that share corners with four equivalent Li(1)S4 tetrahedra, corners with four equivalent Li(2)S4 tetrahedra, and corners with four equivalent Mn(1)S4 tetrahedra. There are four inequivalent S sites. In the first S site, S(1) is bonded to one Li(1), one Li(2), one Mn(1), and one Sn(1) atom to form corner-sharing SLi2MnSn tetrahedra. In the second S site, S(2) is bonded to one Li(1), one Li(2), one Mn(1), and one Sn(1) atom to form corner-sharing SLi2MnSn tetrahedra. In the third S site, S(3) is bonded to one Li(1), one Li(2), one Mn(1), and one Sn(1) atom to form corner-sharing SLi2MnSn tetrahedra. In the fourth S site, S(4) is bonded to one Li(1), one Li(2), one Mn(1), and one Sn(1) atom to form corner-sharing SLi2MnSn tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2MnSnS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.424
_cell_length_b   7.976
_cell_length_c   13.665
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   700.189
_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  0.639  0.499  0.665  1.0
  Li  Li1  1  0.139  0.501  0.335  1.0
  Li  Li2  1  0.139  0.999  0.835  1.0
  Li  Li3  1  0.639  0.001  0.165  1.0
  Li  Li4  1  0.641  0.255  0.420  1.0
  Li  Li5  1  0.141  0.745  0.580  1.0
  Li  Li6  1  0.141  0.755  0.080  1.0
  Li  Li7  1  0.641  0.245  0.920  1.0
  Mn  Mn8  1  0.136  0.493  0.834  1.0
  Mn  Mn9  1  0.636  0.507  0.166  1.0
  Mn  Mn10  1  0.636  0.993  0.666  1.0
  Mn  Mn11  1  0.136  0.007  0.334  1.0
  Sn  Sn12  1  0.136  0.244  0.586  1.0
  Sn  Sn13  1  0.636  0.756  0.414  1.0
  Sn  Sn14  1  0.636  0.744  0.914  1.0
  Sn  Sn15  1  0.136  0.256  0.086  1.0
  S  S16  1  0.260  0.252  0.420  1.0
  S  S17  1  0.760  0.748  0.580  1.0
  S  S18  1  0.760  0.752  0.080  1.0
  S  S19  1  0.260  0.248  0.920  1.0
  S  S20  1  0.761  0.244  0.589  1.0
  S  S21  1  0.261  0.756  0.411  1.0
  S  S22  1  0.261  0.744  0.911  1.0
  S  S23  1  0.761  0.256  0.089  1.0
  S  S24  1  0.261  0.997  0.667  1.0
  S  S25  1  0.761  0.003  0.333  1.0
  S  S26  1  0.761  0.497  0.833  1.0
  S  S27  1  0.261  0.503  0.167  1.0
  S  S28  1  0.259  0.492  0.667  1.0
  S  S29  1  0.759  0.508  0.333  1.0
  S  S30  1  0.759  0.992  0.833  1.0
  S  S31  1  0.259  0.008  0.167  1.0
[/CIF]
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The material structure described by Li2MnSnS4 is Stannite-like structured and crystallizes in the orthorhombic Pna2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form LiS4 tetrahedra that share corners with four equivalent Li(2)S4 tetrahedra, corners with four equivalent Mn(1)S4 tetrahedra, and corners with four equivalent Sn(1)S4 tetrahedra. In the second Li site, Li(2) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form LiS4 tetrahedra that share corners with four equivalent Li(1)S4 tetrahedra, corners with four equivalent Mn(1)S4 tetrahedra, and corners with four equivalent Sn(1)S4 tetrahedra. Mn(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form MnS4 tetrahedra that share corners with four equivalent Li(1)S4 tetrahedra, corners with four equivalent Li(2)S4 tetrahedra, and corners with four equivalent Sn(1)S4 tetrahedra. Sn(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form SnS4 tetrahedra that share corners with four equivalent Li(1)S4 tetrahedra, corners with four equivalent Li(2)S4 tetrahedra, and corners with four equivalent Mn(1)S4 tetrahedra. There are four inequivalent S sites. In the first S site, S(1) is bonded to one Li(1), one Li(2), one Mn(1), and one Sn(1) atom to form corner-sharing SLi2MnSn tetrahedra. In the second S site, S(2) is bonded to one Li(1), one Li(2), one Mn(1), and one Sn(1) atom to form corner-sharing SLi2MnSn tetrahedra. In the third S site, S(3) is bonded to one Li(1), one Li(2), one Mn(1), and one Sn(1) atom to form corner-sharing SLi2MnSn tetrahedra. In the fourth S site, S(4) is bonded to one Li(1), one Li(2), one Mn(1), and one Sn(1) atom to form corner-sharing SLi2MnSn tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2MnSnS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.424
_cell_length_b   7.976
_cell_length_c   13.665
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   700.189
_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  0.639  0.499  0.665  1.0
  Li  Li1  1  0.139  0.501  0.335  1.0
  Li  Li2  1  0.139  0.999  0.835  1.0
  Li  Li3  1  0.639  0.001  0.165  1.0
  Li  Li4  1  0.641  0.255  0.420  1.0
  Li  Li5  1  0.141  0.745  0.580  1.0
  Li  Li6  1  0.141  0.755  0.080  1.0
  Li  Li7  1  0.641  0.245  0.920  1.0
  Mn  Mn8  1  0.136  0.493  0.834  1.0
  Mn  Mn9  1  0.636  0.507  0.166  1.0
  Mn  Mn10  1  0.636  0.993  0.666  1.0
  Mn  Mn11  1  0.136  0.007  0.334  1.0
  Sn  Sn12  1  0.136  0.244  0.586  1.0
  Sn  Sn13  1  0.636  0.756  0.414  1.0
  Sn  Sn14  1  0.636  0.744  0.914  1.0
  Sn  Sn15  1  0.136  0.256  0.086  1.0
  S  S16  1  0.260  0.252  0.420  1.0
  S  S17  1  0.760  0.748  0.580  1.0
  S  S18  1  0.760  0.752  0.080  1.0
  S  S19  1  0.260  0.248  0.920  1.0
  S  S20  1  0.761  0.244  0.589  1.0
  S  S21  1  0.261  0.756  0.411  1.0
  S  S22  1  0.261  0.744  0.911  1.0
  S  S23  1  0.761  0.256  0.089  1.0
  S  S24  1  0.261  0.997  0.667  1.0
  S  S25  1  0.761  0.003  0.333  1.0
  S  S26  1  0.761  0.497  0.833  1.0
  S  S27  1  0.261  0.503  0.167  1.0
  S  S28  1  0.259  0.492  0.667  1.0
  S  S29  1  0.759  0.508  0.333  1.0
  S  S30  1  0.759  0.992  0.833  1.0
  S  S31  1  0.259  0.008  0.167  1.0
[/CIF]
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