The material structure described by MgHo2S4 crystallizes in the orthorhombic Pnma space group. Mg(1) is bonded to two equivalent S(4) and three equivalent S(1) atoms to form MgS5 square pyramids that share corners with two equivalent Ho(1)S6 octahedra, corners with two equivalent Ho(2)S6 octahedra,  an edgeedge with one Ho(1)S6 octahedra, edges with three equivalent Ho(2)S6 octahedra, and edges with four equivalent Mg(1)S5 square pyramids. The corner-sharing octahedral tilt angles range from 6-11°. There are two inequivalent Ho sites. In the first Ho site, Ho(1) is bonded to one S(3), two equivalent S(4), and three equivalent S(2) atoms to form HoS6 octahedra that share corners with three equivalent Ho(2)S6 octahedra, corners with two equivalent Mg(1)S5 square pyramids, edges with two equivalent Ho(2)S6 octahedra, edges with four equivalent Ho(1)S6 octahedra, and  an edgeedge with one Mg(1)S5 square pyramid. The corner-sharing octahedral tilt angles range from 53-59°. In the second Ho site, Ho(2) is bonded to one S(2), one S(4), two equivalent S(1), and two equivalent S(3) atoms to form HoS6 octahedra that share corners with three equivalent Ho(1)S6 octahedra, corners with two equivalent Mg(1)S5 square pyramids, edges with two equivalent Ho(1)S6 octahedra, edges with two equivalent Ho(2)S6 octahedra, and edges with three equivalent Mg(1)S5 square pyramids. The corner-sharing octahedral tilt angles range from 53-59°. There are four inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Mg(1) and two equivalent Ho(2) atoms to form SHo2Mg3 square pyramids that share corners with two equivalent S(4)Ho3Mg2 square pyramids, edges with three equivalent S(4)Ho3Mg2 square pyramids, and edges with four equivalent S(1)Ho2Mg3 square pyramids. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Ho(2) and three equivalent Ho(1) atoms. In the third S site, S(3) is bonded in a distorted T-shaped geometry to one Ho(1) and two equivalent Ho(2) atoms. In the fourth S site, S(4) is bonded to two equivalent Mg(1), one Ho(2), and two equivalent Ho(1) atoms to form SHo3Mg2 square pyramids that share corners with two equivalent S(1)Ho2Mg3 square pyramids, edges with two equivalent S(4)Ho3Mg2 square pyramids, and edges with three equivalent S(1)Ho2Mg3 square pyramids. is represented by the CIF card [CIF]
data_Ho2MgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.561
_cell_length_b   3.824
_cell_length_c   13.260
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   636.903
_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  0.115  0.250  0.078  1.0
  Ho  Ho1  1  0.885  0.750  0.922  1.0
  Ho  Ho2  1  0.385  0.750  0.578  1.0
  Ho  Ho3  1  0.615  0.250  0.422  1.0
  Ho  Ho4  1  0.142  0.250  0.704  1.0
  Ho  Ho5  1  0.858  0.750  0.296  1.0
  Ho  Ho6  1  0.358  0.750  0.204  1.0
  Ho  Ho7  1  0.642  0.250  0.796  1.0
  Mg  Mg8  1  0.117  0.750  0.441  1.0
  Mg  Mg9  1  0.883  0.250  0.559  1.0
  Mg  Mg10  1  0.383  0.250  0.941  1.0
  Mg  Mg11  1  0.617  0.750  0.059  1.0
  S  S12  1  0.015  0.750  0.613  1.0
  S  S13  1  0.985  0.250  0.387  1.0
  S  S14  1  0.485  0.250  0.113  1.0
  S  S15  1  0.515  0.750  0.887  1.0
  S  S16  1  0.030  0.250  0.883  1.0
  S  S17  1  0.970  0.750  0.117  1.0
  S  S18  1  0.470  0.750  0.383  1.0
  S  S19  1  0.530  0.250  0.617  1.0
  S  S20  1  0.221  0.250  0.255  1.0
  S  S21  1  0.779  0.750  0.745  1.0
  S  S22  1  0.279  0.750  0.755  1.0
  S  S23  1  0.721  0.250  0.245  1.0
  S  S24  1  0.258  0.750  0.017  1.0
  S  S25  1  0.742  0.250  0.983  1.0
  S  S26  1  0.242  0.250  0.517  1.0
  S  S27  1  0.758  0.750  0.483  1.0
[/CIF]
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The material structure described by MgHo2S4 crystallizes in the orthorhombic Pnma space group. Mg(1) is bonded to two equivalent S(4) and three equivalent S(1) atoms to form MgS5 square pyramids that share corners with two equivalent Ho(1)S6 octahedra, corners with two equivalent Ho(2)S6 octahedra,  an edgeedge with one Ho(1)S6 octahedra, edges with three equivalent Ho(2)S6 octahedra, and edges with four equivalent Mg(1)S5 square pyramids. The corner-sharing octahedral tilt angles range from 6-11°. There are two inequivalent Ho sites. In the first Ho site, Ho(1) is bonded to one S(3), two equivalent S(4), and three equivalent S(2) atoms to form HoS6 octahedra that share corners with three equivalent Ho(2)S6 octahedra, corners with two equivalent Mg(1)S5 square pyramids, edges with two equivalent Ho(2)S6 octahedra, edges with four equivalent Ho(1)S6 octahedra, and  an edgeedge with one Mg(1)S5 square pyramid. The corner-sharing octahedral tilt angles range from 53-59°. In the second Ho site, Ho(2) is bonded to one S(2), one S(4), two equivalent S(1), and two equivalent S(3) atoms to form HoS6 octahedra that share corners with three equivalent Ho(1)S6 octahedra, corners with two equivalent Mg(1)S5 square pyramids, edges with two equivalent Ho(1)S6 octahedra, edges with two equivalent Ho(2)S6 octahedra, and edges with three equivalent Mg(1)S5 square pyramids. The corner-sharing octahedral tilt angles range from 53-59°. There are four inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Mg(1) and two equivalent Ho(2) atoms to form SHo2Mg3 square pyramids that share corners with two equivalent S(4)Ho3Mg2 square pyramids, edges with three equivalent S(4)Ho3Mg2 square pyramids, and edges with four equivalent S(1)Ho2Mg3 square pyramids. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Ho(2) and three equivalent Ho(1) atoms. In the third S site, S(3) is bonded in a distorted T-shaped geometry to one Ho(1) and two equivalent Ho(2) atoms. In the fourth S site, S(4) is bonded to two equivalent Mg(1), one Ho(2), and two equivalent Ho(1) atoms to form SHo3Mg2 square pyramids that share corners with two equivalent S(1)Ho2Mg3 square pyramids, edges with two equivalent S(4)Ho3Mg2 square pyramids, and edges with three equivalent S(1)Ho2Mg3 square pyramids. is represented by the CIF card [CIF]
data_Ho2MgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.561
_cell_length_b   3.824
_cell_length_c   13.260
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   636.903
_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  0.115  0.250  0.078  1.0
  Ho  Ho1  1  0.885  0.750  0.922  1.0
  Ho  Ho2  1  0.385  0.750  0.578  1.0
  Ho  Ho3  1  0.615  0.250  0.422  1.0
  Ho  Ho4  1  0.142  0.250  0.704  1.0
  Ho  Ho5  1  0.858  0.750  0.296  1.0
  Ho  Ho6  1  0.358  0.750  0.204  1.0
  Ho  Ho7  1  0.642  0.250  0.796  1.0
  Mg  Mg8  1  0.117  0.750  0.441  1.0
  Mg  Mg9  1  0.883  0.250  0.559  1.0
  Mg  Mg10  1  0.383  0.250  0.941  1.0
  Mg  Mg11  1  0.617  0.750  0.059  1.0
  S  S12  1  0.015  0.750  0.613  1.0
  S  S13  1  0.985  0.250  0.387  1.0
  S  S14  1  0.485  0.250  0.113  1.0
  S  S15  1  0.515  0.750  0.887  1.0
  S  S16  1  0.030  0.250  0.883  1.0
  S  S17  1  0.970  0.750  0.117  1.0
  S  S18  1  0.470  0.750  0.383  1.0
  S  S19  1  0.530  0.250  0.617  1.0
  S  S20  1  0.221  0.250  0.255  1.0
  S  S21  1  0.779  0.750  0.745  1.0
  S  S22  1  0.279  0.750  0.755  1.0
  S  S23  1  0.721  0.250  0.245  1.0
  S  S24  1  0.258  0.750  0.017  1.0
  S  S25  1  0.742  0.250  0.983  1.0
  S  S26  1  0.242  0.250  0.517  1.0
  S  S27  1  0.758  0.750  0.483  1.0
[/CIF]
.