The material structure described by MgCu4(HO)6Cl2 crystallizes in the triclinic P-1 space group. The structure consists of two hydrochloric acid atoms inside a MgCu4(HO)6 framework. In the MgCu4(HO)6 framework, Mg(1) is bonded in a 4-coordinate geometry to four equivalent O(1,2) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to two equivalent O(3) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to two equivalent O(1,2) and two equivalent O(3) atoms. In the third Cu site, Cu(3) is bonded in a square co-planar geometry to four equivalent O(1,2) atoms. In the fourth Cu site, Cu(4) is bonded in a square co-planar geometry to two equivalent O(1,2) and two equivalent O(3) atoms. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1,2) 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(1,2) atom. There are two inequivalent O sites. In the first O site, O(1,2) 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 second O site, O(3) is bonded to one Cu(1), one Cu(2), one Cu(4), and one H(2) atom to form distorted corner-sharing OCu3H tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCu4H6(ClO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.522
_cell_length_b   6.793
_cell_length_c   6.525
_cell_angle_alpha   65.677
_cell_angle_beta   58.300
_cell_angle_gamma   65.730
_symmetry_Int_Tables_number   1
_cell_volume   216.956
_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  0.000  0.000  1.0
  Cu  Cu1  1  0.500  0.500  0.500  1.0
  Cu  Cu2  1  0.500  0.500  0.000  1.0
  Cu  Cu3  1  0.500  0.000  0.500  1.0
  Cu  Cu4  1  0.000  0.500  0.500  1.0
  H  H5  1  0.774  0.726  0.239  1.0
  H  H6  1  0.725  0.219  0.726  1.0
  H  H7  1  0.239  0.726  0.775  1.0
  H  H8  1  0.226  0.274  0.761  1.0
  H  H9  1  0.275  0.781  0.274  1.0
  H  H10  1  0.761  0.274  0.225  1.0
  Cl  Cl11  1  0.824  0.858  0.825  1.0
  Cl  Cl12  1  0.176  0.142  0.175  1.0
  O  O13  1  0.327  0.776  0.823  1.0
  O  O14  1  0.822  0.776  0.327  1.0
  O  O15  1  0.683  0.385  0.684  1.0
  O  O16  1  0.673  0.224  0.177  1.0
  O  O17  1  0.178  0.224  0.673  1.0
  O  O18  1  0.317  0.615  0.316  1.0
[/CIF]
.
The material structure described by MgCu4(HO)6Cl2 crystallizes in the triclinic P-1 space group. The structure consists of two hydrochloric acid atoms inside a MgCu4(HO)6 framework. In the MgCu4(HO)6 framework, Mg(1) is bonded in a 4-coordinate geometry to four equivalent O(1,2) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to two equivalent O(3) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to two equivalent O(1,2) and two equivalent O(3) atoms. In the third Cu site, Cu(3) is bonded in a square co-planar geometry to four equivalent O(1,2) atoms. In the fourth Cu site, Cu(4) is bonded in a square co-planar geometry to two equivalent O(1,2) and two equivalent O(3) atoms. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1,2) 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(1,2) atom. There are two inequivalent O sites. In the first O site, O(1,2) 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 second O site, O(3) is bonded to one Cu(1), one Cu(2), one Cu(4), and one H(2) atom to form distorted corner-sharing OCu3H tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCu4H6(ClO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.522
_cell_length_b   6.793
_cell_length_c   6.525
_cell_angle_alpha   65.677
_cell_angle_beta   58.300
_cell_angle_gamma   65.730
_symmetry_Int_Tables_number   1
_cell_volume   216.956
_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  0.000  0.000  1.0
  Cu  Cu1  1  0.500  0.500  0.500  1.0
  Cu  Cu2  1  0.500  0.500  0.000  1.0
  Cu  Cu3  1  0.500  0.000  0.500  1.0
  Cu  Cu4  1  0.000  0.500  0.500  1.0
  H  H5  1  0.774  0.726  0.239  1.0
  H  H6  1  0.725  0.219  0.726  1.0
  H  H7  1  0.239  0.726  0.775  1.0
  H  H8  1  0.226  0.274  0.761  1.0
  H  H9  1  0.275  0.781  0.274  1.0
  H  H10  1  0.761  0.274  0.225  1.0
  Cl  Cl11  1  0.824  0.858  0.825  1.0
  Cl  Cl12  1  0.176  0.142  0.175  1.0
  O  O13  1  0.327  0.776  0.823  1.0
  O  O14  1  0.822  0.776  0.327  1.0
  O  O15  1  0.683  0.385  0.684  1.0
  O  O16  1  0.673  0.224  0.177  1.0
  O  O17  1  0.178  0.224  0.673  1.0
  O  O18  1  0.317  0.615  0.316  1.0
[/CIF]
.