The material described by MgAu4Se4(O3Cl)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one Au(1), one Cl(1), one Cl(3), and two equivalent Cl(2) atoms to form distorted corner-sharing MgAuCl4 trigonal bipyramids. There are four inequivalent Au sites. In the first Au site, Au(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one O(3), one O(5), and one O(7) atom. In the second Au site, Au(2) is bonded in a square co-planar geometry to one O(1), one O(11), one O(4), and one O(6) atom. In the third Au site, Au(3) is bonded in a rectangular see-saw-like geometry to one O(10), one O(2), one O(8), and one Cl(1) atom. In the fourth Au site, Au(4) is bonded in a rectangular see-saw-like geometry to one O(12), one O(9), one Cl(3), and one Cl(4) atom. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(3), and one O(9) atom. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(10), one O(6), and one O(7) atom. In the third Se site, Se(3) is bonded in a trigonal non-coplanar geometry to one O(2), one O(4), and one O(5) atom. In the fourth Se site, Se(4) is bonded in a distorted trigonal non-coplanar geometry to one O(11), one O(12), and one O(8) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Au(2) and one Se(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Au(3) and one Se(3) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Au(1) and one Se(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Au(2) and one Se(3) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Au(1) and one Se(3) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Au(2) and one Se(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Au(1) and one Se(2) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Au(3) and one Se(4) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Au(4) and one Se(1) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Au(3) and one Se(2) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Au(2) and one Se(4) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Au(4) and one Se(4) atom. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a bent 120 degrees geometry to one Mg(1) and one Au(3) atom. In the second Cl site, Cl(2) is bonded in a bent 150 degrees geometry to two equivalent Mg(1) atoms. In the third Cl site, Cl(3) is bonded in a bent 120 degrees geometry to one Mg(1) and one Au(4) atom. In the fourth Cl site, Cl(4) is bonded in a single-bond geometry to one Au(4) atom. is represented by the CIF card [CIF]
data_MgAu4Se4(ClO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.753
_cell_length_b   9.991
_cell_length_c   11.110
_cell_angle_alpha   84.180
_cell_angle_beta   97.643
_cell_angle_gamma   87.251
_symmetry_Int_Tables_number   1
_cell_volume   519.148
_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  0.112  0.439  0.434  1.0
  Au  Au1  1  0.042  0.580  0.203  1.0
  Au  Au2  1  0.017  0.997  0.997  1.0
  Au  Au3  1  0.973  0.419  0.809  1.0
  Au  Au4  1  0.981  0.009  0.493  1.0
  Se  Se5  1  0.749  0.867  0.246  1.0
  Se  Se6  1  0.215  0.713  0.896  1.0
  Se  Se7  1  0.838  0.289  0.090  1.0
  Se  Se8  1  0.250  0.131  0.747  1.0
  Cl  Cl9  1  0.244  0.487  0.655  1.0
  Cl  Cl10  1  0.609  0.482  0.422  1.0
  Cl  Cl11  1  0.259  0.195  0.455  1.0
  Cl  Cl12  1  0.720  0.826  0.527  1.0
  O  O13  1  0.702  0.949  0.098  1.0
  O  O14  1  0.725  0.363  0.940  1.0
  O  O15  1  0.064  0.769  0.261  1.0
  O  O16  1  0.106  0.168  0.076  1.0
  O  O17  1  0.089  0.386  0.162  1.0
  O  O18  1  0.932  0.832  0.914  1.0
  O  O19  1  0.364  0.656  0.037  1.0
  O  O20  1  0.940  0.230  0.753  1.0
  O  O21  1  0.884  0.011  0.311  1.0
  O  O22  1  0.927  0.604  0.860  1.0
  O  O23  1  0.329  0.046  0.893  1.0
  O  O24  1  0.081  0.001  0.677  1.0
[/CIF]
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The material described by MgAu4Se4(O3Cl)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one Au(1), one Cl(1), one Cl(3), and two equivalent Cl(2) atoms to form distorted corner-sharing MgAuCl4 trigonal bipyramids. There are four inequivalent Au sites. In the first Au site, Au(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one O(3), one O(5), and one O(7) atom. In the second Au site, Au(2) is bonded in a square co-planar geometry to one O(1), one O(11), one O(4), and one O(6) atom. In the third Au site, Au(3) is bonded in a rectangular see-saw-like geometry to one O(10), one O(2), one O(8), and one Cl(1) atom. In the fourth Au site, Au(4) is bonded in a rectangular see-saw-like geometry to one O(12), one O(9), one Cl(3), and one Cl(4) atom. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(3), and one O(9) atom. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(10), one O(6), and one O(7) atom. In the third Se site, Se(3) is bonded in a trigonal non-coplanar geometry to one O(2), one O(4), and one O(5) atom. In the fourth Se site, Se(4) is bonded in a distorted trigonal non-coplanar geometry to one O(11), one O(12), and one O(8) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Au(2) and one Se(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Au(3) and one Se(3) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Au(1) and one Se(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Au(2) and one Se(3) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Au(1) and one Se(3) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Au(2) and one Se(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Au(1) and one Se(2) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Au(3) and one Se(4) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Au(4) and one Se(1) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Au(3) and one Se(2) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Au(2) and one Se(4) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Au(4) and one Se(4) atom. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a bent 120 degrees geometry to one Mg(1) and one Au(3) atom. In the second Cl site, Cl(2) is bonded in a bent 150 degrees geometry to two equivalent Mg(1) atoms. In the third Cl site, Cl(3) is bonded in a bent 120 degrees geometry to one Mg(1) and one Au(4) atom. In the fourth Cl site, Cl(4) is bonded in a single-bond geometry to one Au(4) atom. is represented by the CIF card [CIF]
data_MgAu4Se4(ClO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.753
_cell_length_b   9.991
_cell_length_c   11.110
_cell_angle_alpha   84.180
_cell_angle_beta   97.643
_cell_angle_gamma   87.251
_symmetry_Int_Tables_number   1
_cell_volume   519.148
_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  0.112  0.439  0.434  1.0
  Au  Au1  1  0.042  0.580  0.203  1.0
  Au  Au2  1  0.017  0.997  0.997  1.0
  Au  Au3  1  0.973  0.419  0.809  1.0
  Au  Au4  1  0.981  0.009  0.493  1.0
  Se  Se5  1  0.749  0.867  0.246  1.0
  Se  Se6  1  0.215  0.713  0.896  1.0
  Se  Se7  1  0.838  0.289  0.090  1.0
  Se  Se8  1  0.250  0.131  0.747  1.0
  Cl  Cl9  1  0.244  0.487  0.655  1.0
  Cl  Cl10  1  0.609  0.482  0.422  1.0
  Cl  Cl11  1  0.259  0.195  0.455  1.0
  Cl  Cl12  1  0.720  0.826  0.527  1.0
  O  O13  1  0.702  0.949  0.098  1.0
  O  O14  1  0.725  0.363  0.940  1.0
  O  O15  1  0.064  0.769  0.261  1.0
  O  O16  1  0.106  0.168  0.076  1.0
  O  O17  1  0.089  0.386  0.162  1.0
  O  O18  1  0.932  0.832  0.914  1.0
  O  O19  1  0.364  0.656  0.037  1.0
  O  O20  1  0.940  0.230  0.753  1.0
  O  O21  1  0.884  0.011  0.311  1.0
  O  O22  1  0.927  0.604  0.860  1.0
  O  O23  1  0.329  0.046  0.893  1.0
  O  O24  1  0.081  0.001  0.677  1.0
[/CIF]
.