The compound described by Er2MnS4 crystallizes in the orthorhombic Cmc2_1 space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded to one S(2), two equivalent S(1), two equivalent S(3), and two equivalent S(4) atoms to form distorted ErS7 pentagonal bipyramids that share corners with four equivalent Er(2)S6 octahedra, corners with four equivalent Mn(1)S6 octahedra, edges with three equivalent Er(2)S6 octahedra, edges with three equivalent Mn(1)S6 octahedra, and faces with two equivalent Er(1)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 17-66°. In the second Er site, Er(2) is bonded to one S(3), one S(4), two equivalent S(1), and two equivalent S(2) atoms to form ErS6 octahedra that share corners with three equivalent Mn(1)S6 octahedra, corners with four equivalent Er(1)S7 pentagonal bipyramids, edges with two equivalent Er(2)S6 octahedra, edges with three equivalent Mn(1)S6 octahedra, and edges with three equivalent Er(1)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 11-54°. 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 Er(2)S6 octahedra, corners with four equivalent Er(1)S7 pentagonal bipyramids, edges with two equivalent Mn(1)S6 octahedra, edges with three equivalent Er(2)S6 octahedra, and edges with three equivalent Er(1)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 11-54°. There are four inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Er(1), two equivalent Er(2), and one Mn(1) atom to form distorted SEr4Mn trigonal bipyramids that share corners with two equivalent S(3)Er3Mn2 square pyramids, corners with six equivalent S(2)Er3Mn2 square pyramids, corners with five equivalent S(4)Er3Mn tetrahedra,  an edgeedge with one S(2)Er3Mn2 square pyramid, edges with three equivalent S(3)Er3Mn2 square pyramids,  an edgeedge with one S(4)Er3Mn tetrahedra, and edges with two equivalent S(1)Er4Mn trigonal bipyramids. In the second S site, S(2) is bonded to one Er(1), two equivalent Er(2), and two equivalent Mn(1) atoms to form SEr3Mn2 square pyramids that share corners with two equivalent S(3)Er3Mn2 square pyramids, corners with two equivalent S(4)Er3Mn tetrahedra, corners with six equivalent S(1)Er4Mn trigonal bipyramids, edges with two equivalent S(2)Er3Mn2 square pyramids, edges with three equivalent S(3)Er3Mn2 square pyramids, edges with two equivalent S(4)Er3Mn tetrahedra, and  an edgeedge with one S(1)Er4Mn trigonal bipyramid. In the third S site, S(3) is bonded to one Er(2), two equivalent Er(1), and two equivalent Mn(1) atoms to form SEr3Mn2 square pyramids that share corners with two equivalent S(2)Er3Mn2 square pyramids, corners with five equivalent S(4)Er3Mn tetrahedra, corners with two equivalent S(1)Er4Mn trigonal bipyramids, edges with two equivalent S(3)Er3Mn2 square pyramids, edges with three equivalent S(2)Er3Mn2 square pyramids,  an edgeedge with one S(4)Er3Mn tetrahedra, and edges with three equivalent S(1)Er4Mn trigonal bipyramids. In the fourth S site, S(4) is bonded to one Er(2), two equivalent Er(1), and one Mn(1) atom to form SEr3Mn tetrahedra that share corners with two equivalent S(2)Er3Mn2 square pyramids, corners with five equivalent S(3)Er3Mn2 square pyramids, corners with two equivalent S(4)Er3Mn tetrahedra, corners with five equivalent S(1)Er4Mn trigonal bipyramids,  an edgeedge with one S(3)Er3Mn2 square pyramid, edges with two equivalent S(2)Er3Mn2 square pyramids, and  an edgeedge with one S(1)Er4Mn trigonal bipyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Er2MnS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.443
_cell_length_b   6.443
_cell_length_c   12.739
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   146.217
_symmetry_Int_Tables_number   1
_cell_volume   294.082
_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
  Er  Er0  1  0.381  0.619  0.786  1.0
  Er  Er1  1  0.619  0.381  0.286  1.0
  Er  Er2  1  0.139  0.861  0.583  1.0
  Er  Er3  1  0.861  0.139  0.083  1.0
  Mn  Mn4  1  0.125  0.875  0.946  1.0
  Mn  Mn5  1  0.875  0.125  0.446  1.0
  S  S6  1  0.789  0.211  0.636  1.0
  S  S7  1  0.211  0.789  0.136  1.0
  S  S8  1  0.486  0.514  0.995  1.0
  S  S9  1  0.514  0.486  0.495  1.0
  S  S10  1  0.762  0.238  0.896  1.0
  S  S11  1  0.238  0.762  0.396  1.0
  S  S12  1  0.037  0.963  0.767  1.0
  S  S13  1  0.963  0.037  0.267  1.0
[/CIF]
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The compound described by Er2MnS4 crystallizes in the orthorhombic Cmc2_1 space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded to one S(2), two equivalent S(1), two equivalent S(3), and two equivalent S(4) atoms to form distorted ErS7 pentagonal bipyramids that share corners with four equivalent Er(2)S6 octahedra, corners with four equivalent Mn(1)S6 octahedra, edges with three equivalent Er(2)S6 octahedra, edges with three equivalent Mn(1)S6 octahedra, and faces with two equivalent Er(1)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 17-66°. In the second Er site, Er(2) is bonded to one S(3), one S(4), two equivalent S(1), and two equivalent S(2) atoms to form ErS6 octahedra that share corners with three equivalent Mn(1)S6 octahedra, corners with four equivalent Er(1)S7 pentagonal bipyramids, edges with two equivalent Er(2)S6 octahedra, edges with three equivalent Mn(1)S6 octahedra, and edges with three equivalent Er(1)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 11-54°. 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 Er(2)S6 octahedra, corners with four equivalent Er(1)S7 pentagonal bipyramids, edges with two equivalent Mn(1)S6 octahedra, edges with three equivalent Er(2)S6 octahedra, and edges with three equivalent Er(1)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 11-54°. There are four inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Er(1), two equivalent Er(2), and one Mn(1) atom to form distorted SEr4Mn trigonal bipyramids that share corners with two equivalent S(3)Er3Mn2 square pyramids, corners with six equivalent S(2)Er3Mn2 square pyramids, corners with five equivalent S(4)Er3Mn tetrahedra,  an edgeedge with one S(2)Er3Mn2 square pyramid, edges with three equivalent S(3)Er3Mn2 square pyramids,  an edgeedge with one S(4)Er3Mn tetrahedra, and edges with two equivalent S(1)Er4Mn trigonal bipyramids. In the second S site, S(2) is bonded to one Er(1), two equivalent Er(2), and two equivalent Mn(1) atoms to form SEr3Mn2 square pyramids that share corners with two equivalent S(3)Er3Mn2 square pyramids, corners with two equivalent S(4)Er3Mn tetrahedra, corners with six equivalent S(1)Er4Mn trigonal bipyramids, edges with two equivalent S(2)Er3Mn2 square pyramids, edges with three equivalent S(3)Er3Mn2 square pyramids, edges with two equivalent S(4)Er3Mn tetrahedra, and  an edgeedge with one S(1)Er4Mn trigonal bipyramid. In the third S site, S(3) is bonded to one Er(2), two equivalent Er(1), and two equivalent Mn(1) atoms to form SEr3Mn2 square pyramids that share corners with two equivalent S(2)Er3Mn2 square pyramids, corners with five equivalent S(4)Er3Mn tetrahedra, corners with two equivalent S(1)Er4Mn trigonal bipyramids, edges with two equivalent S(3)Er3Mn2 square pyramids, edges with three equivalent S(2)Er3Mn2 square pyramids,  an edgeedge with one S(4)Er3Mn tetrahedra, and edges with three equivalent S(1)Er4Mn trigonal bipyramids. In the fourth S site, S(4) is bonded to one Er(2), two equivalent Er(1), and one Mn(1) atom to form SEr3Mn tetrahedra that share corners with two equivalent S(2)Er3Mn2 square pyramids, corners with five equivalent S(3)Er3Mn2 square pyramids, corners with two equivalent S(4)Er3Mn tetrahedra, corners with five equivalent S(1)Er4Mn trigonal bipyramids,  an edgeedge with one S(3)Er3Mn2 square pyramid, edges with two equivalent S(2)Er3Mn2 square pyramids, and  an edgeedge with one S(1)Er4Mn trigonal bipyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Er2MnS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.443
_cell_length_b   6.443
_cell_length_c   12.739
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   146.217
_symmetry_Int_Tables_number   1
_cell_volume   294.082
_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
  Er  Er0  1  0.381  0.619  0.786  1.0
  Er  Er1  1  0.619  0.381  0.286  1.0
  Er  Er2  1  0.139  0.861  0.583  1.0
  Er  Er3  1  0.861  0.139  0.083  1.0
  Mn  Mn4  1  0.125  0.875  0.946  1.0
  Mn  Mn5  1  0.875  0.125  0.446  1.0
  S  S6  1  0.789  0.211  0.636  1.0
  S  S7  1  0.211  0.789  0.136  1.0
  S  S8  1  0.486  0.514  0.995  1.0
  S  S9  1  0.514  0.486  0.495  1.0
  S  S10  1  0.762  0.238  0.896  1.0
  S  S11  1  0.238  0.762  0.396  1.0
  S  S12  1  0.037  0.963  0.767  1.0
  S  S13  1  0.963  0.037  0.267  1.0
[/CIF]
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