The compound described by MgHo2S4 is Spinel-like structured and crystallizes in the orthorhombic Pnma space group. Mg(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form MgS4 tetrahedra that share corners with two equivalent Ho(1)S6 octahedra, corners with four equivalent Ho(2)S6 octahedra,  an edgeedge with one Ho(2)S6 octahedra, and edges with two equivalent Ho(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 58-67°. There are two inequivalent Ho sites. In the first Ho site, Ho(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form HoS6 octahedra that share corners with four equivalent Ho(2)S6 octahedra, corners with two equivalent Mg(1)S4 tetrahedra, edges with two equivalent Ho(1)S6 octahedra, edges with two equivalent Ho(2)S6 octahedra, and edges with two equivalent Mg(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-56°. In the second Ho site, Ho(2) is bonded to one S(2), one S(3), and four equivalent S(1) atoms to form HoS6 octahedra that share corners with four equivalent Ho(1)S6 octahedra, corners with four equivalent Ho(2)S6 octahedra, corners with four equivalent Mg(1)S4 tetrahedra, edges with two equivalent Ho(1)S6 octahedra, and  an edgeedge with one Mg(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-56°. 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), one Ho(1), and two equivalent Ho(2) atoms. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Ho(2), and two equivalent Ho(1) atoms. In the third S site, S(3) is bonded to one Mg(1), one Ho(2), and two equivalent Ho(1) atoms to form distorted corner-sharing SHo3Mg tetrahedra. is represented by the CIF file [CIF]
data_Ho2MgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.362
_cell_length_b   7.827
_cell_length_c   6.488
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   678.554
_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
  Ho  Ho0  1  0.000  0.000  0.500  1.0
  Ho  Ho1  1  0.500  0.000  0.000  1.0
  Ho  Ho2  1  0.500  0.500  0.000  1.0
  Ho  Ho3  1  0.000  0.500  0.500  1.0
  Ho  Ho4  1  0.231  0.750  0.991  1.0
  Ho  Ho5  1  0.769  0.250  0.009  1.0
  Ho  Ho6  1  0.269  0.250  0.491  1.0
  Ho  Ho7  1  0.731  0.750  0.509  1.0
  Mg  Mg8  1  0.097  0.250  0.920  1.0
  Mg  Mg9  1  0.903  0.750  0.080  1.0
  Mg  Mg10  1  0.403  0.750  0.420  1.0
  Mg  Mg11  1  0.597  0.250  0.580  1.0
  S  S12  1  0.171  0.008  0.735  1.0
  S  S13  1  0.829  0.992  0.265  1.0
  S  S14  1  0.329  0.992  0.235  1.0
  S  S15  1  0.671  0.008  0.765  1.0
  S  S16  1  0.671  0.492  0.765  1.0
  S  S17  1  0.329  0.508  0.235  1.0
  S  S18  1  0.829  0.508  0.265  1.0
  S  S19  1  0.171  0.492  0.735  1.0
  S  S20  1  0.070  0.750  0.244  1.0
  S  S21  1  0.930  0.250  0.756  1.0
  S  S22  1  0.430  0.250  0.744  1.0
  S  S23  1  0.570  0.750  0.256  1.0
  S  S24  1  0.090  0.250  0.287  1.0
  S  S25  1  0.910  0.750  0.713  1.0
  S  S26  1  0.410  0.750  0.787  1.0
  S  S27  1  0.590  0.250  0.213  1.0
[/CIF]
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The compound described by MgHo2S4 is Spinel-like structured and crystallizes in the orthorhombic Pnma space group. Mg(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form MgS4 tetrahedra that share corners with two equivalent Ho(1)S6 octahedra, corners with four equivalent Ho(2)S6 octahedra,  an edgeedge with one Ho(2)S6 octahedra, and edges with two equivalent Ho(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 58-67°. There are two inequivalent Ho sites. In the first Ho site, Ho(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form HoS6 octahedra that share corners with four equivalent Ho(2)S6 octahedra, corners with two equivalent Mg(1)S4 tetrahedra, edges with two equivalent Ho(1)S6 octahedra, edges with two equivalent Ho(2)S6 octahedra, and edges with two equivalent Mg(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-56°. In the second Ho site, Ho(2) is bonded to one S(2), one S(3), and four equivalent S(1) atoms to form HoS6 octahedra that share corners with four equivalent Ho(1)S6 octahedra, corners with four equivalent Ho(2)S6 octahedra, corners with four equivalent Mg(1)S4 tetrahedra, edges with two equivalent Ho(1)S6 octahedra, and  an edgeedge with one Mg(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-56°. 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), one Ho(1), and two equivalent Ho(2) atoms. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Ho(2), and two equivalent Ho(1) atoms. In the third S site, S(3) is bonded to one Mg(1), one Ho(2), and two equivalent Ho(1) atoms to form distorted corner-sharing SHo3Mg tetrahedra. is represented by the CIF file [CIF]
data_Ho2MgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.362
_cell_length_b   7.827
_cell_length_c   6.488
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   678.554
_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
  Ho  Ho0  1  0.000  0.000  0.500  1.0
  Ho  Ho1  1  0.500  0.000  0.000  1.0
  Ho  Ho2  1  0.500  0.500  0.000  1.0
  Ho  Ho3  1  0.000  0.500  0.500  1.0
  Ho  Ho4  1  0.231  0.750  0.991  1.0
  Ho  Ho5  1  0.769  0.250  0.009  1.0
  Ho  Ho6  1  0.269  0.250  0.491  1.0
  Ho  Ho7  1  0.731  0.750  0.509  1.0
  Mg  Mg8  1  0.097  0.250  0.920  1.0
  Mg  Mg9  1  0.903  0.750  0.080  1.0
  Mg  Mg10  1  0.403  0.750  0.420  1.0
  Mg  Mg11  1  0.597  0.250  0.580  1.0
  S  S12  1  0.171  0.008  0.735  1.0
  S  S13  1  0.829  0.992  0.265  1.0
  S  S14  1  0.329  0.992  0.235  1.0
  S  S15  1  0.671  0.008  0.765  1.0
  S  S16  1  0.671  0.492  0.765  1.0
  S  S17  1  0.329  0.508  0.235  1.0
  S  S18  1  0.829  0.508  0.265  1.0
  S  S19  1  0.171  0.492  0.735  1.0
  S  S20  1  0.070  0.750  0.244  1.0
  S  S21  1  0.930  0.250  0.756  1.0
  S  S22  1  0.430  0.250  0.744  1.0
  S  S23  1  0.570  0.750  0.256  1.0
  S  S24  1  0.090  0.250  0.287  1.0
  S  S25  1  0.910  0.750  0.713  1.0
  S  S26  1  0.410  0.750  0.787  1.0
  S  S27  1  0.590  0.250  0.213  1.0
[/CIF]
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