The structure described by Li2MnCSO7 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(13), one O(3), and one O(5) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one S(1)O4 tetrahedra,  a cornercorner with one Li(4)O4 trigonal pyramid,  an edgeedge with one Mn(2)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 60°. In the second Li site, Li(2) is bonded to one O(14), one O(2), one O(4), and one O(6) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one S(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid, and  an edgeedge with one Li(4)O4 trigonal pyramid. In the third Li site, Li(3) is bonded to one O(12), one O(2), one O(3), and one O(5) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one S(2)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Mn(2)O6 octahedra, and  an edgeedge with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 60°. In the fourth Li site, Li(4) is bonded to one O(1), one O(11), one O(4), and one O(6) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one S(1)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid, and  an edgeedge with one Li(2)O4 trigonal pyramid. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(14), one O(4), one O(6), and one O(8) atom. In the second Mn site, Mn(2) is bonded to one O(12), one O(13), one O(3), one O(5), one O(7), and one O(9) atom to form distorted MnO6 octahedra that share  a cornercorner with one S(2)O4 tetrahedra, corners with three equivalent S(1)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Li(1)O4 trigonal pyramid, and  an edgeedge with one Li(3)O4 trigonal pyramid. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(5) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(2), one O(4), and one O(6) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded to one O(11), one O(13), one O(7), and one O(9) atom to form SO4 tetrahedra that share corners with three equivalent Mn(2)O6 octahedra,  a cornercorner with one Li(1)O4 trigonal pyramid, and  a cornercorner with one Li(4)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 41-60°. In the second S site, S(2) is bonded to one O(10), one O(12), one O(14), and one O(8) atom to form SO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, and  a cornercorner with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 54°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one Li(4), and one C(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(2), one Li(3), and one C(2) atom. In the third O site, O(3) is bonded to one Li(1), one Li(3), one Mn(2), and one C(1) atom to form distorted edge-sharing OLi2MnC trigonal pyramids. In the fourth O site, O(4) is bonded to one Li(2), one Li(4), one Mn(1), and one C(2) atom to form distorted edge-sharing OLi2MnC trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one Mn(2), and one C(1) atom to form distorted edge-sharing OLi2MnC tetrahedra. In the sixth O site, O(6) is bonded to one Li(2), one Li(4), one Mn(1), and one C(2) atom to form distorted edge-sharing OLi2MnC tetrahedra. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Mn(2) and one S(1) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one S(2) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Mn(2) and one S(1) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Mn(1) and one S(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(4), one Mn(1), and one S(1) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(2), and one S(2) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(2), and one S(1) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(1), and one S(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2MnCSO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.953
_cell_length_b   6.505
_cell_length_c   9.387
_cell_angle_alpha   90.031
_cell_angle_beta   81.941
_cell_angle_gamma   90.025
_symmetry_Int_Tables_number   1
_cell_volume   299.430
_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
  C  C0  1  0.276  0.250  0.923  1.0
  C  C1  1  0.724  0.750  0.077  1.0
  Li  Li2  1  0.791  0.485  0.835  1.0
  Li  Li3  1  0.792  0.015  0.835  1.0
  Li  Li4  1  0.208  0.985  0.164  1.0
  Li  Li5  1  0.208  0.515  0.165  1.0
  Mn  Mn6  1  0.251  0.250  0.638  1.0
  Mn  Mn7  1  0.749  0.750  0.362  1.0
  O  O8  1  0.693  0.750  0.943  1.0
  O  O9  1  0.307  0.250  0.057  1.0
  O  O10  1  0.035  0.250  0.881  1.0
  O  O11  1  0.965  0.750  0.119  1.0
  O  O12  1  0.488  0.250  0.821  1.0
  O  O13  1  0.511  0.750  0.179  1.0
  O  O14  1  0.865  0.250  0.544  1.0
  O  O15  1  0.134  0.750  0.456  1.0
  O  O16  1  0.532  0.750  0.576  1.0
  O  O17  1  0.468  0.250  0.423  1.0
  O  O18  1  0.126  0.934  0.685  1.0
  O  O19  1  0.125  0.566  0.685  1.0
  O  O20  1  0.875  0.434  0.315  1.0
  O  O21  1  0.875  0.066  0.315  1.0
  S  S22  1  0.227  0.750  0.599  1.0
  S  S23  1  0.773  0.250  0.401  1.0
[/CIF]
.
The structure described by Li2MnCSO7 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(13), one O(3), and one O(5) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one S(1)O4 tetrahedra,  a cornercorner with one Li(4)O4 trigonal pyramid,  an edgeedge with one Mn(2)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 60°. In the second Li site, Li(2) is bonded to one O(14), one O(2), one O(4), and one O(6) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one S(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid, and  an edgeedge with one Li(4)O4 trigonal pyramid. In the third Li site, Li(3) is bonded to one O(12), one O(2), one O(3), and one O(5) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one S(2)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Mn(2)O6 octahedra, and  an edgeedge with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 60°. In the fourth Li site, Li(4) is bonded to one O(1), one O(11), one O(4), and one O(6) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one S(1)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid, and  an edgeedge with one Li(2)O4 trigonal pyramid. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(14), one O(4), one O(6), and one O(8) atom. In the second Mn site, Mn(2) is bonded to one O(12), one O(13), one O(3), one O(5), one O(7), and one O(9) atom to form distorted MnO6 octahedra that share  a cornercorner with one S(2)O4 tetrahedra, corners with three equivalent S(1)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Li(1)O4 trigonal pyramid, and  an edgeedge with one Li(3)O4 trigonal pyramid. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(5) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(2), one O(4), and one O(6) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded to one O(11), one O(13), one O(7), and one O(9) atom to form SO4 tetrahedra that share corners with three equivalent Mn(2)O6 octahedra,  a cornercorner with one Li(1)O4 trigonal pyramid, and  a cornercorner with one Li(4)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 41-60°. In the second S site, S(2) is bonded to one O(10), one O(12), one O(14), and one O(8) atom to form SO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, and  a cornercorner with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 54°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one Li(4), and one C(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(2), one Li(3), and one C(2) atom. In the third O site, O(3) is bonded to one Li(1), one Li(3), one Mn(2), and one C(1) atom to form distorted edge-sharing OLi2MnC trigonal pyramids. In the fourth O site, O(4) is bonded to one Li(2), one Li(4), one Mn(1), and one C(2) atom to form distorted edge-sharing OLi2MnC trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one Mn(2), and one C(1) atom to form distorted edge-sharing OLi2MnC tetrahedra. In the sixth O site, O(6) is bonded to one Li(2), one Li(4), one Mn(1), and one C(2) atom to form distorted edge-sharing OLi2MnC tetrahedra. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Mn(2) and one S(1) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one S(2) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Mn(2) and one S(1) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Mn(1) and one S(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(4), one Mn(1), and one S(1) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(2), and one S(2) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(2), and one S(1) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(1), and one S(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2MnCSO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.953
_cell_length_b   6.505
_cell_length_c   9.387
_cell_angle_alpha   90.031
_cell_angle_beta   81.941
_cell_angle_gamma   90.025
_symmetry_Int_Tables_number   1
_cell_volume   299.430
_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
  C  C0  1  0.276  0.250  0.923  1.0
  C  C1  1  0.724  0.750  0.077  1.0
  Li  Li2  1  0.791  0.485  0.835  1.0
  Li  Li3  1  0.792  0.015  0.835  1.0
  Li  Li4  1  0.208  0.985  0.164  1.0
  Li  Li5  1  0.208  0.515  0.165  1.0
  Mn  Mn6  1  0.251  0.250  0.638  1.0
  Mn  Mn7  1  0.749  0.750  0.362  1.0
  O  O8  1  0.693  0.750  0.943  1.0
  O  O9  1  0.307  0.250  0.057  1.0
  O  O10  1  0.035  0.250  0.881  1.0
  O  O11  1  0.965  0.750  0.119  1.0
  O  O12  1  0.488  0.250  0.821  1.0
  O  O13  1  0.511  0.750  0.179  1.0
  O  O14  1  0.865  0.250  0.544  1.0
  O  O15  1  0.134  0.750  0.456  1.0
  O  O16  1  0.532  0.750  0.576  1.0
  O  O17  1  0.468  0.250  0.423  1.0
  O  O18  1  0.126  0.934  0.685  1.0
  O  O19  1  0.125  0.566  0.685  1.0
  O  O20  1  0.875  0.434  0.315  1.0
  O  O21  1  0.875  0.066  0.315  1.0
  S  S22  1  0.227  0.750  0.599  1.0
  S  S23  1  0.773  0.250  0.401  1.0
[/CIF]
.