The compound described by MgAu4Se4(O3Cl)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 4-coordinate geometry to one Au(1), one O(10), one O(6), one O(7), and one Cl(2) atom. There are four inequivalent Au sites. In the first Au site, Au(1) is bonded in a 5-coordinate geometry to one Mg(1), one O(3), one O(5), and two equivalent Cl(2) atoms. 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 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 distorted 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 distorted trigonal planar geometry to one Mg(1), one Au(2), and one Se(2) atom. In the seventh O site, O(7) is bonded in a linear geometry to one Mg(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 distorted trigonal planar geometry to one Mg(1), 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 single-bond geometry to one Au(3) atom. In the second Cl site, Cl(2) is bonded in a 3-coordinate geometry to one Mg(1) and two equivalent Au(1) atoms. In the third Cl site, Cl(3) is bonded in a single-bond geometry to 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 Crystallographic Information File (CIF) [CIF]
data_MgAu4Se4(ClO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.329
_cell_length_b   10.028
_cell_length_c   10.899
_cell_angle_alpha   82.443
_cell_angle_beta   86.468
_cell_angle_gamma   88.296
_symmetry_Int_Tables_number   1
_cell_volume   576.186
_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  0.685  0.665  0.004  1.0
  Au  Au1  1  0.036  0.574  0.218  1.0
  Au  Au2  1  0.011  0.992  0.012  1.0
  Au  Au3  1  0.986  0.404  0.832  1.0
  Au  Au4  1  0.991  0.001  0.512  1.0
  Se  Se5  1  0.764  0.858  0.291  1.0
  Se  Se6  1  0.138  0.733  0.831  1.0
  Se  Se7  1  0.858  0.281  0.124  1.0
  Se  Se8  1  0.242  0.132  0.740  1.0
  Cl  Cl9  1  0.259  0.483  0.667  1.0
  Cl  Cl10  1  0.534  0.575  0.209  1.0
  Cl  Cl11  1  0.238  0.185  0.450  1.0
  Cl  Cl12  1  0.740  0.817  0.579  1.0
  O  O13  1  0.716  0.927  0.138  1.0
  O  O14  1  0.737  0.351  0.982  1.0
  O  O15  1  0.039  0.763  0.280  1.0
  O  O16  1  0.087  0.166  0.080  1.0
  O  O17  1  0.087  0.390  0.153  1.0
  O  O18  1  0.945  0.811  0.944  1.0
  O  O19  1  0.414  0.709  0.895  1.0
  O  O20  1  0.961  0.220  0.774  1.0
  O  O21  1  0.896  0.004  0.335  1.0
  O  O22  1  0.961  0.586  0.895  1.0
  O  O23  1  0.307  0.045  0.883  1.0
  O  O24  1  0.090  0.996  0.689  1.0
[/CIF]
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The compound described by MgAu4Se4(O3Cl)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 4-coordinate geometry to one Au(1), one O(10), one O(6), one O(7), and one Cl(2) atom. There are four inequivalent Au sites. In the first Au site, Au(1) is bonded in a 5-coordinate geometry to one Mg(1), one O(3), one O(5), and two equivalent Cl(2) atoms. 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 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 distorted 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 distorted trigonal planar geometry to one Mg(1), one Au(2), and one Se(2) atom. In the seventh O site, O(7) is bonded in a linear geometry to one Mg(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 distorted trigonal planar geometry to one Mg(1), 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 single-bond geometry to one Au(3) atom. In the second Cl site, Cl(2) is bonded in a 3-coordinate geometry to one Mg(1) and two equivalent Au(1) atoms. In the third Cl site, Cl(3) is bonded in a single-bond geometry to 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 Crystallographic Information File (CIF) [CIF]
data_MgAu4Se4(ClO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.329
_cell_length_b   10.028
_cell_length_c   10.899
_cell_angle_alpha   82.443
_cell_angle_beta   86.468
_cell_angle_gamma   88.296
_symmetry_Int_Tables_number   1
_cell_volume   576.186
_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  0.685  0.665  0.004  1.0
  Au  Au1  1  0.036  0.574  0.218  1.0
  Au  Au2  1  0.011  0.992  0.012  1.0
  Au  Au3  1  0.986  0.404  0.832  1.0
  Au  Au4  1  0.991  0.001  0.512  1.0
  Se  Se5  1  0.764  0.858  0.291  1.0
  Se  Se6  1  0.138  0.733  0.831  1.0
  Se  Se7  1  0.858  0.281  0.124  1.0
  Se  Se8  1  0.242  0.132  0.740  1.0
  Cl  Cl9  1  0.259  0.483  0.667  1.0
  Cl  Cl10  1  0.534  0.575  0.209  1.0
  Cl  Cl11  1  0.238  0.185  0.450  1.0
  Cl  Cl12  1  0.740  0.817  0.579  1.0
  O  O13  1  0.716  0.927  0.138  1.0
  O  O14  1  0.737  0.351  0.982  1.0
  O  O15  1  0.039  0.763  0.280  1.0
  O  O16  1  0.087  0.166  0.080  1.0
  O  O17  1  0.087  0.390  0.153  1.0
  O  O18  1  0.945  0.811  0.944  1.0
  O  O19  1  0.414  0.709  0.895  1.0
  O  O20  1  0.961  0.220  0.774  1.0
  O  O21  1  0.896  0.004  0.335  1.0
  O  O22  1  0.961  0.586  0.895  1.0
  O  O23  1  0.307  0.045  0.883  1.0
  O  O24  1  0.090  0.996  0.689  1.0
[/CIF]
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