The crystal structure described by MnY2S4 crystallizes in the orthorhombic Cmc2_1 space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to one S(2), two equivalent S(1), two equivalent S(3), and two equivalent S(4) atoms to form distorted YS7 pentagonal bipyramids that share corners with four equivalent Y(2)S6 octahedra, corners with four equivalent Mn(1)S6 octahedra, edges with three equivalent Y(2)S6 octahedra, edges with three equivalent Mn(1)S6 octahedra, and faces with two equivalent Y(1)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 16-67°. In the second Y site, Y(2) is bonded to one S(3), one S(4), two equivalent S(1), and two equivalent S(2) atoms to form YS6 octahedra that share corners with three equivalent Mn(1)S6 octahedra, corners with four equivalent Y(1)S7 pentagonal bipyramids, edges with two equivalent Y(2)S6 octahedra, edges with three equivalent Mn(1)S6 octahedra, and edges with three equivalent Y(1)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 11-53°. Mn(1) is bonded to one S(1), one S(4), two equivalent S(2), and two equivalent S(3) atoms to form MnS6 octahedra that share corners with three equivalent Y(2)S6 octahedra, corners with four equivalent Y(1)S7 pentagonal bipyramids, edges with two equivalent Mn(1)S6 octahedra, edges with three equivalent Y(2)S6 octahedra, and edges with three equivalent Y(1)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 11-53°. There are four inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Y(1), two equivalent Y(2), and one Mn(1) atom to form distorted SY4Mn trigonal bipyramids that share corners with two equivalent S(3)Y3Mn2 square pyramids, corners with six equivalent S(2)Y3Mn2 square pyramids, corners with five equivalent S(4)Y3Mn tetrahedra,  an edgeedge with one S(2)Y3Mn2 square pyramid, edges with three equivalent S(3)Y3Mn2 square pyramids,  an edgeedge with one S(4)Y3Mn tetrahedra, and edges with two equivalent S(1)Y4Mn trigonal bipyramids. In the second S site, S(2) is bonded to one Y(1), two equivalent Y(2), and two equivalent Mn(1) atoms to form SY3Mn2 square pyramids that share corners with two equivalent S(3)Y3Mn2 square pyramids, corners with two equivalent S(4)Y3Mn tetrahedra, corners with six equivalent S(1)Y4Mn trigonal bipyramids, edges with two equivalent S(2)Y3Mn2 square pyramids, edges with three equivalent S(3)Y3Mn2 square pyramids, edges with two equivalent S(4)Y3Mn tetrahedra, and  an edgeedge with one S(1)Y4Mn trigonal bipyramid. In the third S site, S(3) is bonded to one Y(2), two equivalent Y(1), and two equivalent Mn(1) atoms to form SY3Mn2 square pyramids that share corners with two equivalent S(2)Y3Mn2 square pyramids, corners with five equivalent S(4)Y3Mn tetrahedra, corners with two equivalent S(1)Y4Mn trigonal bipyramids, edges with two equivalent S(3)Y3Mn2 square pyramids, edges with three equivalent S(2)Y3Mn2 square pyramids,  an edgeedge with one S(4)Y3Mn tetrahedra, and edges with three equivalent S(1)Y4Mn trigonal bipyramids. In the fourth S site, S(4) is bonded to one Y(2), two equivalent Y(1), and one Mn(1) atom to form SY3Mn tetrahedra that share corners with two equivalent S(2)Y3Mn2 square pyramids, corners with five equivalent S(3)Y3Mn2 square pyramids, corners with two equivalent S(4)Y3Mn tetrahedra, corners with five equivalent S(1)Y4Mn trigonal bipyramids,  an edgeedge with one S(3)Y3Mn2 square pyramid, edges with two equivalent S(2)Y3Mn2 square pyramids, and  an edgeedge with one S(1)Y4Mn trigonal bipyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y2MnS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.488
_cell_length_b   6.488
_cell_length_c   12.835
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   146.070
_symmetry_Int_Tables_number   1
_cell_volume   301.610
_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
  Y  Y0  1  0.382  0.618  0.785  1.0
  Y  Y1  1  0.618  0.382  0.285  1.0
  Y  Y2  1  0.138  0.862  0.582  1.0
  Y  Y3  1  0.862  0.138  0.082  1.0
  Mn  Mn4  1  0.126  0.874  0.946  1.0
  Mn  Mn5  1  0.874  0.126  0.446  1.0
  S  S6  1  0.790  0.210  0.635  1.0
  S  S7  1  0.210  0.790  0.135  1.0
  S  S8  1  0.488  0.512  0.995  1.0
  S  S9  1  0.512  0.488  0.495  1.0
  S  S10  1  0.761  0.239  0.895  1.0
  S  S11  1  0.239  0.761  0.395  1.0
  S  S12  1  0.038  0.962  0.769  1.0
  S  S13  1  0.962  0.038  0.269  1.0
[/CIF]
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The crystal structure described by MnY2S4 crystallizes in the orthorhombic Cmc2_1 space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to one S(2), two equivalent S(1), two equivalent S(3), and two equivalent S(4) atoms to form distorted YS7 pentagonal bipyramids that share corners with four equivalent Y(2)S6 octahedra, corners with four equivalent Mn(1)S6 octahedra, edges with three equivalent Y(2)S6 octahedra, edges with three equivalent Mn(1)S6 octahedra, and faces with two equivalent Y(1)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 16-67°. In the second Y site, Y(2) is bonded to one S(3), one S(4), two equivalent S(1), and two equivalent S(2) atoms to form YS6 octahedra that share corners with three equivalent Mn(1)S6 octahedra, corners with four equivalent Y(1)S7 pentagonal bipyramids, edges with two equivalent Y(2)S6 octahedra, edges with three equivalent Mn(1)S6 octahedra, and edges with three equivalent Y(1)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 11-53°. Mn(1) is bonded to one S(1), one S(4), two equivalent S(2), and two equivalent S(3) atoms to form MnS6 octahedra that share corners with three equivalent Y(2)S6 octahedra, corners with four equivalent Y(1)S7 pentagonal bipyramids, edges with two equivalent Mn(1)S6 octahedra, edges with three equivalent Y(2)S6 octahedra, and edges with three equivalent Y(1)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 11-53°. There are four inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Y(1), two equivalent Y(2), and one Mn(1) atom to form distorted SY4Mn trigonal bipyramids that share corners with two equivalent S(3)Y3Mn2 square pyramids, corners with six equivalent S(2)Y3Mn2 square pyramids, corners with five equivalent S(4)Y3Mn tetrahedra,  an edgeedge with one S(2)Y3Mn2 square pyramid, edges with three equivalent S(3)Y3Mn2 square pyramids,  an edgeedge with one S(4)Y3Mn tetrahedra, and edges with two equivalent S(1)Y4Mn trigonal bipyramids. In the second S site, S(2) is bonded to one Y(1), two equivalent Y(2), and two equivalent Mn(1) atoms to form SY3Mn2 square pyramids that share corners with two equivalent S(3)Y3Mn2 square pyramids, corners with two equivalent S(4)Y3Mn tetrahedra, corners with six equivalent S(1)Y4Mn trigonal bipyramids, edges with two equivalent S(2)Y3Mn2 square pyramids, edges with three equivalent S(3)Y3Mn2 square pyramids, edges with two equivalent S(4)Y3Mn tetrahedra, and  an edgeedge with one S(1)Y4Mn trigonal bipyramid. In the third S site, S(3) is bonded to one Y(2), two equivalent Y(1), and two equivalent Mn(1) atoms to form SY3Mn2 square pyramids that share corners with two equivalent S(2)Y3Mn2 square pyramids, corners with five equivalent S(4)Y3Mn tetrahedra, corners with two equivalent S(1)Y4Mn trigonal bipyramids, edges with two equivalent S(3)Y3Mn2 square pyramids, edges with three equivalent S(2)Y3Mn2 square pyramids,  an edgeedge with one S(4)Y3Mn tetrahedra, and edges with three equivalent S(1)Y4Mn trigonal bipyramids. In the fourth S site, S(4) is bonded to one Y(2), two equivalent Y(1), and one Mn(1) atom to form SY3Mn tetrahedra that share corners with two equivalent S(2)Y3Mn2 square pyramids, corners with five equivalent S(3)Y3Mn2 square pyramids, corners with two equivalent S(4)Y3Mn tetrahedra, corners with five equivalent S(1)Y4Mn trigonal bipyramids,  an edgeedge with one S(3)Y3Mn2 square pyramid, edges with two equivalent S(2)Y3Mn2 square pyramids, and  an edgeedge with one S(1)Y4Mn trigonal bipyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y2MnS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.488
_cell_length_b   6.488
_cell_length_c   12.835
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   146.070
_symmetry_Int_Tables_number   1
_cell_volume   301.610
_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
  Y  Y0  1  0.382  0.618  0.785  1.0
  Y  Y1  1  0.618  0.382  0.285  1.0
  Y  Y2  1  0.138  0.862  0.582  1.0
  Y  Y3  1  0.862  0.138  0.082  1.0
  Mn  Mn4  1  0.126  0.874  0.946  1.0
  Mn  Mn5  1  0.874  0.126  0.446  1.0
  S  S6  1  0.790  0.210  0.635  1.0
  S  S7  1  0.210  0.790  0.135  1.0
  S  S8  1  0.488  0.512  0.995  1.0
  S  S9  1  0.512  0.488  0.495  1.0
  S  S10  1  0.761  0.239  0.895  1.0
  S  S11  1  0.239  0.761  0.395  1.0
  S  S12  1  0.038  0.962  0.769  1.0
  S  S13  1  0.962  0.038  0.269  1.0
[/CIF]
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