The material structure described by MgCu4H6(O3Cl)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(6), and one Cl(1) atom. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted trigonal planar geometry to one O(4), one O(5), and one Cl(2) atom. In the second Cu site, Cu(2) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(3), one O(5), and one O(6) atom. In the third Cu site, Cu(3) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the fourth Cu site, Cu(4) is bonded in a distorted square pyramidal geometry to one O(1), one O(4), one O(5), one O(6), and one Cl(1) atom. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(5) and one Cl(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(3) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(2) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(4) and one Cl(1) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(6) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(1) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Mg(1), one Cu(3), one Cu(4), and one H(6) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Mg(1), one Cu(2), one Cu(3), and one H(3) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Cu(2), one Cu(3), and one H(2) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Cu(1), one Cu(3), one Cu(4), and one H(4) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Cu(1), one Cu(2), one Cu(4), and one H(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Mg(1), one Cu(2), one Cu(4), and one H(5) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 4-coordinate geometry to one Mg(1), one Cu(4), one H(1), and one H(4) atom. In the second Cl site, Cl(2) is bonded in a distorted single-bond geometry to one Cu(1) atom. is represented by the CIF card [CIF]
data_MgCu4H6(ClO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.863
_cell_length_b   5.808
_cell_length_c   6.772
_cell_angle_alpha   89.600
_cell_angle_beta   90.135
_cell_angle_gamma   95.556
_symmetry_Int_Tables_number   1
_cell_volume   229.493
_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  0.776  0.036  0.253  1.0
  Cu  Cu1  1  0.078  0.652  0.750  1.0
  Cu  Cu2  1  0.511  0.494  1.000  1.0
  Cu  Cu3  1  0.511  0.495  0.495  1.0
  Cu  Cu4  1  0.004  0.476  0.250  1.0
  H  H5  1  0.216  0.783  0.056  1.0
  H  H6  1  0.463  0.184  0.748  1.0
  H  H7  1  0.450  0.773  0.248  1.0
  H  H8  1  0.217  0.783  0.444  1.0
  H  H9  1  0.829  0.255  0.930  1.0
  H  H10  1  0.827  0.256  0.571  1.0
  Cl  Cl11  1  0.202  0.071  0.250  1.0
  Cl  Cl12  1  0.768  0.868  0.749  1.0
  O  O13  1  0.766  0.299  0.443  1.0
  O  O14  1  0.605  0.722  0.254  1.0
  O  O15  1  0.426  0.344  0.746  1.0
  O  O16  1  0.199  0.618  0.483  1.0
  O  O17  1  0.199  0.618  0.020  1.0
  O  O18  1  0.766  0.297  0.058  1.0
[/CIF]
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The material structure described by MgCu4H6(O3Cl)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(6), and one Cl(1) atom. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted trigonal planar geometry to one O(4), one O(5), and one Cl(2) atom. In the second Cu site, Cu(2) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(3), one O(5), and one O(6) atom. In the third Cu site, Cu(3) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the fourth Cu site, Cu(4) is bonded in a distorted square pyramidal geometry to one O(1), one O(4), one O(5), one O(6), and one Cl(1) atom. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(5) and one Cl(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(3) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(2) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(4) and one Cl(1) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(6) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(1) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Mg(1), one Cu(3), one Cu(4), and one H(6) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Mg(1), one Cu(2), one Cu(3), and one H(3) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Cu(2), one Cu(3), and one H(2) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Cu(1), one Cu(3), one Cu(4), and one H(4) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Cu(1), one Cu(2), one Cu(4), and one H(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Mg(1), one Cu(2), one Cu(4), and one H(5) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 4-coordinate geometry to one Mg(1), one Cu(4), one H(1), and one H(4) atom. In the second Cl site, Cl(2) is bonded in a distorted single-bond geometry to one Cu(1) atom. is represented by the CIF card [CIF]
data_MgCu4H6(ClO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.863
_cell_length_b   5.808
_cell_length_c   6.772
_cell_angle_alpha   89.600
_cell_angle_beta   90.135
_cell_angle_gamma   95.556
_symmetry_Int_Tables_number   1
_cell_volume   229.493
_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  0.776  0.036  0.253  1.0
  Cu  Cu1  1  0.078  0.652  0.750  1.0
  Cu  Cu2  1  0.511  0.494  1.000  1.0
  Cu  Cu3  1  0.511  0.495  0.495  1.0
  Cu  Cu4  1  0.004  0.476  0.250  1.0
  H  H5  1  0.216  0.783  0.056  1.0
  H  H6  1  0.463  0.184  0.748  1.0
  H  H7  1  0.450  0.773  0.248  1.0
  H  H8  1  0.217  0.783  0.444  1.0
  H  H9  1  0.829  0.255  0.930  1.0
  H  H10  1  0.827  0.256  0.571  1.0
  Cl  Cl11  1  0.202  0.071  0.250  1.0
  Cl  Cl12  1  0.768  0.868  0.749  1.0
  O  O13  1  0.766  0.299  0.443  1.0
  O  O14  1  0.605  0.722  0.254  1.0
  O  O15  1  0.426  0.344  0.746  1.0
  O  O16  1  0.199  0.618  0.483  1.0
  O  O17  1  0.199  0.618  0.020  1.0
  O  O18  1  0.766  0.297  0.058  1.0
[/CIF]
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