The material described by MgAu4Se4(O3Cl)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 5-coordinate geometry to one O(8), one Cl(2), one Cl(3), and two equivalent Cl(1) atoms. There are four inequivalent Au sites. In the first Au site, Au(1) is bonded in a rectangular see-saw-like geometry to one O(3), one O(5), one O(7), and one Cl(2) atom. In the second Au site, Au(2) is bonded in a rectangular see-saw-like 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 distorted T-shaped geometry to one O(10), one O(2), and one O(8) 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 distorted 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 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 distorted 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 bent 120 degrees geometry to one Au(1) and one Se(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mg(1), 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 distorted bent 150 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 distorted bent 120 degrees geometry to two equivalent Mg(1) atoms. In the second Cl site, Cl(2) is bonded in a bent 120 degrees geometry to one Mg(1) and one Au(1) atom. 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   4.489
_cell_length_b   10.040
_cell_length_c   11.317
_cell_angle_alpha   82.740
_cell_angle_beta   96.282
_cell_angle_gamma   84.413
_symmetry_Int_Tables_number   1
_cell_volume   499.694
_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  0.956  0.389  0.552  1.0
  Au  Au1  1  0.042  0.576  0.184  1.0
  Au  Au2  1  0.964  0.003  0.012  1.0
  Au  Au3  1  0.987  0.430  0.809  1.0
  Au  Au4  1  0.974  0.990  0.510  1.0
  Se  Se5  1  0.744  0.856  0.266  1.0
  Se  Se6  1  0.160  0.713  0.912  1.0
  Se  Se7  1  0.769  0.296  0.097  1.0
  Se  Se8  1  0.257  0.116  0.748  1.0
  Cl  Cl9  1  0.435  0.481  0.569  1.0
  Cl  Cl10  1  0.754  0.498  0.333  1.0
  Cl  Cl11  1  0.202  0.188  0.463  1.0
  Cl  Cl12  1  0.740  0.799  0.549  1.0
  O  O13  1  0.655  0.946  0.123  1.0
  O  O14  1  0.637  0.326  0.952  1.0
  O  O15  1  0.076  0.754  0.256  1.0
  O  O16  1  0.053  0.156  0.106  1.0
  O  O17  1  0.073  0.402  0.114  1.0
  O  O18  1  0.876  0.841  0.928  1.0
  O  O19  1  0.311  0.647  0.061  1.0
  O  O20  1  0.993  0.263  0.712  1.0
  O  O21  1  0.920  0.984  0.331  1.0
  O  O22  1  0.894  0.609  0.873  1.0
  O  O23  1  0.269  0.063  0.898  1.0
  O  O24  1  0.025  0.001  0.690  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 in a 5-coordinate geometry to one O(8), one Cl(2), one Cl(3), and two equivalent Cl(1) atoms. There are four inequivalent Au sites. In the first Au site, Au(1) is bonded in a rectangular see-saw-like geometry to one O(3), one O(5), one O(7), and one Cl(2) atom. In the second Au site, Au(2) is bonded in a rectangular see-saw-like 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 distorted T-shaped geometry to one O(10), one O(2), and one O(8) 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 distorted 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 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 distorted 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 bent 120 degrees geometry to one Au(1) and one Se(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mg(1), 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 distorted bent 150 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 distorted bent 120 degrees geometry to two equivalent Mg(1) atoms. In the second Cl site, Cl(2) is bonded in a bent 120 degrees geometry to one Mg(1) and one Au(1) atom. 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   4.489
_cell_length_b   10.040
_cell_length_c   11.317
_cell_angle_alpha   82.740
_cell_angle_beta   96.282
_cell_angle_gamma   84.413
_symmetry_Int_Tables_number   1
_cell_volume   499.694
_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  0.956  0.389  0.552  1.0
  Au  Au1  1  0.042  0.576  0.184  1.0
  Au  Au2  1  0.964  0.003  0.012  1.0
  Au  Au3  1  0.987  0.430  0.809  1.0
  Au  Au4  1  0.974  0.990  0.510  1.0
  Se  Se5  1  0.744  0.856  0.266  1.0
  Se  Se6  1  0.160  0.713  0.912  1.0
  Se  Se7  1  0.769  0.296  0.097  1.0
  Se  Se8  1  0.257  0.116  0.748  1.0
  Cl  Cl9  1  0.435  0.481  0.569  1.0
  Cl  Cl10  1  0.754  0.498  0.333  1.0
  Cl  Cl11  1  0.202  0.188  0.463  1.0
  Cl  Cl12  1  0.740  0.799  0.549  1.0
  O  O13  1  0.655  0.946  0.123  1.0
  O  O14  1  0.637  0.326  0.952  1.0
  O  O15  1  0.076  0.754  0.256  1.0
  O  O16  1  0.053  0.156  0.106  1.0
  O  O17  1  0.073  0.402  0.114  1.0
  O  O18  1  0.876  0.841  0.928  1.0
  O  O19  1  0.311  0.647  0.061  1.0
  O  O20  1  0.993  0.263  0.712  1.0
  O  O21  1  0.920  0.984  0.331  1.0
  O  O22  1  0.894  0.609  0.873  1.0
  O  O23  1  0.269  0.063  0.898  1.0
  O  O24  1  0.025  0.001  0.690  1.0
[/CIF]
.