The material described by Mg4Te3S is Enargite-like structured and crystallizes in the orthorhombic Pmm2 space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one Te(2), two equivalent Te(1), and one S(1) atom to form MgTe3S tetrahedra that share corners with four equivalent Mg(3)Te2S2 tetrahedra, corners with four equivalent Mg(1)Te3S tetrahedra, and corners with four equivalent Mg(2)Te4 tetrahedra. In the second Mg site, Mg(2) is bonded to two equivalent Te(1) and two equivalent Te(2) atoms to form MgTe4 tetrahedra that share corners with two equivalent Mg(3)Te2S2 tetrahedra, corners with two equivalent Mg(2)Te4 tetrahedra, and corners with eight equivalent Mg(1)Te3S tetrahedra. In the third Mg site, Mg(3) is bonded to two equivalent Te(1) and two equivalent S(1) atoms to form MgTe2S2 tetrahedra that share corners with two equivalent Mg(3)Te2S2 tetrahedra, corners with two equivalent Mg(2)Te4 tetrahedra, and corners with eight equivalent Mg(1)Te3S tetrahedra. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one Mg(2), one Mg(3), and two equivalent Mg(1) atoms to form TeMg4 tetrahedra that share corners with four equivalent Te(1)Mg4 tetrahedra, corners with four equivalent Te(2)Mg4 tetrahedra, and corners with four equivalent S(1)Mg4 tetrahedra. In the second Te site, Te(2) is bonded to two equivalent Mg(1) and two equivalent Mg(2) atoms to form TeMg4 tetrahedra that share corners with two equivalent Te(2)Mg4 tetrahedra, corners with two equivalent S(1)Mg4 tetrahedra, and corners with eight equivalent Te(1)Mg4 tetrahedra. S(1) is bonded to two equivalent Mg(1) and two equivalent Mg(3) atoms to form SMg4 tetrahedra that share corners with two equivalent Te(2)Mg4 tetrahedra, corners with two equivalent S(1)Mg4 tetrahedra, and corners with eight equivalent Te(1)Mg4 tetrahedra. is represented by the CIF file [CIF]
data_Mg4Te3S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.459
_cell_length_b   6.252
_cell_length_c   8.984
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   250.470
_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
  Mg  Mg0  1  0.000  0.019  0.976  1.0
  Mg  Mg1  1  0.500  0.508  0.250  1.0
  Mg  Mg2  1  0.000  0.019  0.524  1.0
  Mg  Mg3  1  0.500  0.460  0.750  1.0
  Te  Te4  1  0.500  0.750  0.988  1.0
  Te  Te5  1  0.000  0.243  0.250  1.0
  Te  Te6  1  0.500  0.750  0.512  1.0
  S  S7  1  0.000  0.253  0.750  1.0
[/CIF]
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The material described by Mg4Te3S is Enargite-like structured and crystallizes in the orthorhombic Pmm2 space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one Te(2), two equivalent Te(1), and one S(1) atom to form MgTe3S tetrahedra that share corners with four equivalent Mg(3)Te2S2 tetrahedra, corners with four equivalent Mg(1)Te3S tetrahedra, and corners with four equivalent Mg(2)Te4 tetrahedra. In the second Mg site, Mg(2) is bonded to two equivalent Te(1) and two equivalent Te(2) atoms to form MgTe4 tetrahedra that share corners with two equivalent Mg(3)Te2S2 tetrahedra, corners with two equivalent Mg(2)Te4 tetrahedra, and corners with eight equivalent Mg(1)Te3S tetrahedra. In the third Mg site, Mg(3) is bonded to two equivalent Te(1) and two equivalent S(1) atoms to form MgTe2S2 tetrahedra that share corners with two equivalent Mg(3)Te2S2 tetrahedra, corners with two equivalent Mg(2)Te4 tetrahedra, and corners with eight equivalent Mg(1)Te3S tetrahedra. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one Mg(2), one Mg(3), and two equivalent Mg(1) atoms to form TeMg4 tetrahedra that share corners with four equivalent Te(1)Mg4 tetrahedra, corners with four equivalent Te(2)Mg4 tetrahedra, and corners with four equivalent S(1)Mg4 tetrahedra. In the second Te site, Te(2) is bonded to two equivalent Mg(1) and two equivalent Mg(2) atoms to form TeMg4 tetrahedra that share corners with two equivalent Te(2)Mg4 tetrahedra, corners with two equivalent S(1)Mg4 tetrahedra, and corners with eight equivalent Te(1)Mg4 tetrahedra. S(1) is bonded to two equivalent Mg(1) and two equivalent Mg(3) atoms to form SMg4 tetrahedra that share corners with two equivalent Te(2)Mg4 tetrahedra, corners with two equivalent S(1)Mg4 tetrahedra, and corners with eight equivalent Te(1)Mg4 tetrahedra. is represented by the CIF file [CIF]
data_Mg4Te3S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.459
_cell_length_b   6.252
_cell_length_c   8.984
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   250.470
_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
  Mg  Mg0  1  0.000  0.019  0.976  1.0
  Mg  Mg1  1  0.500  0.508  0.250  1.0
  Mg  Mg2  1  0.000  0.019  0.524  1.0
  Mg  Mg3  1  0.500  0.460  0.750  1.0
  Te  Te4  1  0.500  0.750  0.988  1.0
  Te  Te5  1  0.000  0.243  0.250  1.0
  Te  Te6  1  0.500  0.750  0.512  1.0
  S  S7  1  0.000  0.253  0.750  1.0
[/CIF]
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