The material described by MgEu2S4 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 Eu(1)S6 octahedra, corners with two equivalent Eu(2)S6 octahedra,  an edgeedge with one Eu(1)S6 octahedra, edges with three equivalent Eu(2)S6 octahedra, and edges with four equivalent Mg(1)S5 square pyramids. The corner-sharing octahedral tilt angles are 5°. There are two inequivalent Eu sites. In the first Eu site, Eu(1) is bonded to one S(3), two equivalent S(4), and three equivalent S(2) atoms to form EuS6 octahedra that share corners with three equivalent Eu(2)S6 octahedra, corners with two equivalent Mg(1)S5 square pyramids, edges with two equivalent Eu(2)S6 octahedra, edges with four equivalent Eu(1)S6 octahedra, and  an edgeedge with one Mg(1)S5 square pyramid. The corner-sharing octahedral tilt angles range from 58-59°. In the second Eu site, Eu(2) is bonded to one S(2), one S(4), two equivalent S(1), and two equivalent S(3) atoms to form EuS6 octahedra that share corners with three equivalent Eu(1)S6 octahedra, corners with two equivalent Mg(1)S5 square pyramids, edges with two equivalent Eu(1)S6 octahedra, edges with two equivalent Eu(2)S6 octahedra, and edges with three equivalent Mg(1)S5 square pyramids. The corner-sharing octahedral tilt angles range from 58-59°. There are four inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Mg(1) and two equivalent Eu(2) atoms to form SEu2Mg3 square pyramids that share corners with two equivalent S(4)Eu3Mg2 square pyramids, edges with three equivalent S(4)Eu3Mg2 square pyramids, and edges with four equivalent S(1)Eu2Mg3 square pyramids. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Eu(2) and three equivalent Eu(1) atoms. In the third S site, S(3) is bonded in a distorted T-shaped geometry to one Eu(1) and two equivalent Eu(2) atoms. In the fourth S site, S(4) is bonded to two equivalent Mg(1), one Eu(2), and two equivalent Eu(1) atoms to form SEu3Mg2 square pyramids that share corners with two equivalent S(1)Eu2Mg3 square pyramids, edges with two equivalent S(4)Eu3Mg2 square pyramids, and edges with three equivalent S(1)Eu2Mg3 square pyramids. is represented by the CIF card [CIF]
data_Eu2MgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.959
_cell_length_b   13.224
_cell_length_c   13.442
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   703.783
_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
  Eu  Eu0  1  0.250  0.121  0.073  1.0
  Eu  Eu1  1  0.750  0.879  0.927  1.0
  Eu  Eu2  1  0.750  0.379  0.573  1.0
  Eu  Eu3  1  0.250  0.621  0.427  1.0
  Eu  Eu4  1  0.250  0.132  0.708  1.0
  Eu  Eu5  1  0.750  0.868  0.292  1.0
  Eu  Eu6  1  0.750  0.368  0.208  1.0
  Eu  Eu7  1  0.250  0.632  0.792  1.0
  Mg  Mg8  1  0.750  0.108  0.459  1.0
  Mg  Mg9  1  0.250  0.892  0.541  1.0
  Mg  Mg10  1  0.250  0.392  0.959  1.0
  Mg  Mg11  1  0.750  0.608  0.041  1.0
  S  S12  1  0.750  0.005  0.615  1.0
  S  S13  1  0.250  0.995  0.385  1.0
  S  S14  1  0.250  0.495  0.115  1.0
  S  S15  1  0.750  0.505  0.885  1.0
  S  S16  1  0.250  0.023  0.887  1.0
  S  S17  1  0.750  0.977  0.113  1.0
  S  S18  1  0.750  0.477  0.387  1.0
  S  S19  1  0.250  0.523  0.613  1.0
  S  S20  1  0.250  0.229  0.252  1.0
  S  S21  1  0.750  0.771  0.748  1.0
  S  S22  1  0.750  0.271  0.752  1.0
  S  S23  1  0.250  0.729  0.248  1.0
  S  S24  1  0.750  0.269  0.013  1.0
  S  S25  1  0.250  0.731  0.987  1.0
  S  S26  1  0.250  0.231  0.513  1.0
  S  S27  1  0.750  0.769  0.487  1.0
[/CIF]
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The material described by MgEu2S4 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 Eu(1)S6 octahedra, corners with two equivalent Eu(2)S6 octahedra,  an edgeedge with one Eu(1)S6 octahedra, edges with three equivalent Eu(2)S6 octahedra, and edges with four equivalent Mg(1)S5 square pyramids. The corner-sharing octahedral tilt angles are 5°. There are two inequivalent Eu sites. In the first Eu site, Eu(1) is bonded to one S(3), two equivalent S(4), and three equivalent S(2) atoms to form EuS6 octahedra that share corners with three equivalent Eu(2)S6 octahedra, corners with two equivalent Mg(1)S5 square pyramids, edges with two equivalent Eu(2)S6 octahedra, edges with four equivalent Eu(1)S6 octahedra, and  an edgeedge with one Mg(1)S5 square pyramid. The corner-sharing octahedral tilt angles range from 58-59°. In the second Eu site, Eu(2) is bonded to one S(2), one S(4), two equivalent S(1), and two equivalent S(3) atoms to form EuS6 octahedra that share corners with three equivalent Eu(1)S6 octahedra, corners with two equivalent Mg(1)S5 square pyramids, edges with two equivalent Eu(1)S6 octahedra, edges with two equivalent Eu(2)S6 octahedra, and edges with three equivalent Mg(1)S5 square pyramids. The corner-sharing octahedral tilt angles range from 58-59°. There are four inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Mg(1) and two equivalent Eu(2) atoms to form SEu2Mg3 square pyramids that share corners with two equivalent S(4)Eu3Mg2 square pyramids, edges with three equivalent S(4)Eu3Mg2 square pyramids, and edges with four equivalent S(1)Eu2Mg3 square pyramids. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Eu(2) and three equivalent Eu(1) atoms. In the third S site, S(3) is bonded in a distorted T-shaped geometry to one Eu(1) and two equivalent Eu(2) atoms. In the fourth S site, S(4) is bonded to two equivalent Mg(1), one Eu(2), and two equivalent Eu(1) atoms to form SEu3Mg2 square pyramids that share corners with two equivalent S(1)Eu2Mg3 square pyramids, edges with two equivalent S(4)Eu3Mg2 square pyramids, and edges with three equivalent S(1)Eu2Mg3 square pyramids. is represented by the CIF card [CIF]
data_Eu2MgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.959
_cell_length_b   13.224
_cell_length_c   13.442
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   703.783
_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
  Eu  Eu0  1  0.250  0.121  0.073  1.0
  Eu  Eu1  1  0.750  0.879  0.927  1.0
  Eu  Eu2  1  0.750  0.379  0.573  1.0
  Eu  Eu3  1  0.250  0.621  0.427  1.0
  Eu  Eu4  1  0.250  0.132  0.708  1.0
  Eu  Eu5  1  0.750  0.868  0.292  1.0
  Eu  Eu6  1  0.750  0.368  0.208  1.0
  Eu  Eu7  1  0.250  0.632  0.792  1.0
  Mg  Mg8  1  0.750  0.108  0.459  1.0
  Mg  Mg9  1  0.250  0.892  0.541  1.0
  Mg  Mg10  1  0.250  0.392  0.959  1.0
  Mg  Mg11  1  0.750  0.608  0.041  1.0
  S  S12  1  0.750  0.005  0.615  1.0
  S  S13  1  0.250  0.995  0.385  1.0
  S  S14  1  0.250  0.495  0.115  1.0
  S  S15  1  0.750  0.505  0.885  1.0
  S  S16  1  0.250  0.023  0.887  1.0
  S  S17  1  0.750  0.977  0.113  1.0
  S  S18  1  0.750  0.477  0.387  1.0
  S  S19  1  0.250  0.523  0.613  1.0
  S  S20  1  0.250  0.229  0.252  1.0
  S  S21  1  0.750  0.771  0.748  1.0
  S  S22  1  0.750  0.271  0.752  1.0
  S  S23  1  0.250  0.729  0.248  1.0
  S  S24  1  0.750  0.269  0.013  1.0
  S  S25  1  0.250  0.731  0.987  1.0
  S  S26  1  0.250  0.231  0.513  1.0
  S  S27  1  0.750  0.769  0.487  1.0
[/CIF]
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