The compound described by Mg2Dy3MnS8 is Spinel-derived structured and crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to one S(1), one S(3), and two equivalent S(2) atoms to form MgS4 tetrahedra that share corners with three equivalent Dy(1)S6 octahedra, corners with three equivalent Mn(1)S6 octahedra, and corners with six equivalent Dy(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 51-60°. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded to two equivalent S(3) and four equivalent S(2) atoms to form DyS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Mn(1)S6 octahedra, and edges with four equivalent Dy(2)S6 octahedra. In the second Dy site, Dy(2) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form DyS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Dy(1)S6 octahedra, edges with two equivalent Dy(2)S6 octahedra, and edges with two equivalent Mn(1)S6 octahedra. Mn(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form MnS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Dy(1)S6 octahedra, and edges with four equivalent Dy(2)S6 octahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), two equivalent Dy(2), and one Mn(1) atom. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Dy(1), one Dy(2), and one Mn(1) atom. In the third S site, S(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Dy(1), and two equivalent Dy(2) atoms. is represented by the CIF card [CIF]
data_Dy3Mg2MnS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.819
_cell_length_b   7.699
_cell_length_c   7.819
_cell_angle_alpha   59.591
_cell_angle_beta   59.925
_cell_angle_gamma   59.620
_symmetry_Int_Tables_number   1
_cell_volume   330.642
_cell_formula_units_Z   1
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
  Dy  Dy0  1  0.500  0.500  0.500  1.0
  Dy  Dy1  1  0.500  0.500  1.000  1.0
  Dy  Dy2  1  1.000  0.500  0.500  1.0
  Mg  Mg3  1  0.875  0.874  0.875  1.0
  Mg  Mg4  1  0.125  0.126  0.125  1.0
  Mn  Mn5  1  0.500  0.000  0.500  1.0
  S  S6  1  0.733  0.764  0.734  1.0
  S  S7  1  0.268  0.234  0.730  1.0
  S  S8  1  0.255  0.736  0.255  1.0
  S  S9  1  0.730  0.234  0.268  1.0
  S  S10  1  0.745  0.264  0.745  1.0
  S  S11  1  0.270  0.766  0.732  1.0
  S  S12  1  0.267  0.236  0.266  1.0
  S  S13  1  0.732  0.766  0.270  1.0
[/CIF]
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The compound described by Mg2Dy3MnS8 is Spinel-derived structured and crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to one S(1), one S(3), and two equivalent S(2) atoms to form MgS4 tetrahedra that share corners with three equivalent Dy(1)S6 octahedra, corners with three equivalent Mn(1)S6 octahedra, and corners with six equivalent Dy(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 51-60°. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded to two equivalent S(3) and four equivalent S(2) atoms to form DyS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Mn(1)S6 octahedra, and edges with four equivalent Dy(2)S6 octahedra. In the second Dy site, Dy(2) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form DyS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Dy(1)S6 octahedra, edges with two equivalent Dy(2)S6 octahedra, and edges with two equivalent Mn(1)S6 octahedra. Mn(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form MnS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Dy(1)S6 octahedra, and edges with four equivalent Dy(2)S6 octahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), two equivalent Dy(2), and one Mn(1) atom. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Dy(1), one Dy(2), and one Mn(1) atom. In the third S site, S(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Dy(1), and two equivalent Dy(2) atoms. is represented by the CIF card [CIF]
data_Dy3Mg2MnS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.819
_cell_length_b   7.699
_cell_length_c   7.819
_cell_angle_alpha   59.591
_cell_angle_beta   59.925
_cell_angle_gamma   59.620
_symmetry_Int_Tables_number   1
_cell_volume   330.642
_cell_formula_units_Z   1
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
  Dy  Dy0  1  0.500  0.500  0.500  1.0
  Dy  Dy1  1  0.500  0.500  1.000  1.0
  Dy  Dy2  1  1.000  0.500  0.500  1.0
  Mg  Mg3  1  0.875  0.874  0.875  1.0
  Mg  Mg4  1  0.125  0.126  0.125  1.0
  Mn  Mn5  1  0.500  0.000  0.500  1.0
  S  S6  1  0.733  0.764  0.734  1.0
  S  S7  1  0.268  0.234  0.730  1.0
  S  S8  1  0.255  0.736  0.255  1.0
  S  S9  1  0.730  0.234  0.268  1.0
  S  S10  1  0.745  0.264  0.745  1.0
  S  S11  1  0.270  0.766  0.732  1.0
  S  S12  1  0.267  0.236  0.266  1.0
  S  S13  1  0.732  0.766  0.270  1.0
[/CIF]
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