The material described by MgCu2H4(SeO5)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form distorted MgO5 trigonal bipyramids that share  a cornercorner with one Se(1)O4 tetrahedra,  an edgeedge with one Se(1)O4 tetrahedra, and  an edgeedge with one Se(2)O4 tetrahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) 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 second Cu site, Cu(2) is bonded in a distorted rectangular see-saw-like geometry to one O(10), one O(7), one O(8), and one O(9) atom. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(10) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(9) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(10) and one O(6) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(9) atom. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form SeO4 tetrahedra that share  a cornercorner with one Mg(1)O5 trigonal bipyramid and  an edgeedge with one Mg(1)O5 trigonal bipyramid. In the second Se site, Se(2) is bonded to one O(2), one O(4), one O(6), and one O(8) atom to form SeO4 tetrahedra that share  an edgeedge with one Mg(1)O5 trigonal bipyramid. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Cu(1) and one Se(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Cu(1) and one Se(2) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Cu(1), and one Se(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Cu(1) and one Se(2) atom. In the fifth O site, O(5) is bonded in a distorted L-shaped geometry to one Mg(1) and one Se(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mg(1), one H(3), and one Se(2) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Mg(1), one Cu(2), and one Se(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Cu(2), and one Se(2) atom. In the ninth O site, O(9) is bonded in a water-like geometry to one Cu(2), one H(2), and one H(4) atom. In the tenth O site, O(10) is bonded in a distorted water-like geometry to one Cu(2), one H(1), and one H(3) atom. is represented by the CIF card [CIF]
data_MgCu2H4(SeO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.351
_cell_length_b   5.910
_cell_length_c   7.689
_cell_angle_alpha   101.935
_cell_angle_beta   102.708
_cell_angle_gamma   101.689
_symmetry_Int_Tables_number   1
_cell_volume   224.109
_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  0.066  0.966  0.423  1.0
  Cu  Cu1  1  0.963  0.005  0.003  1.0
  Cu  Cu2  1  0.549  0.497  0.495  1.0
  H  H3  1  0.900  0.476  0.784  1.0
  H  H4  1  0.103  0.536  0.216  1.0
  H  H5  1  0.053  0.666  0.697  1.0
  H  H6  1  0.973  0.347  0.308  1.0
  Se  Se7  1  0.538  0.845  0.226  1.0
  Se  Se8  1  0.440  0.129  0.774  1.0
  O  O9  1  0.630  0.820  0.024  1.0
  O  O10  1  0.313  0.192  0.950  1.0
  O  O11  1  0.171  0.892  0.184  1.0
  O  O12  1  0.774  0.184  0.834  1.0
  O  O13  1  0.747  0.119  0.361  1.0
  O  O14  1  0.292  0.850  0.630  1.0
  O  O15  1  0.737  0.681  0.361  1.0
  O  O16  1  0.340  0.283  0.613  1.0
  O  O17  1  0.140  0.412  0.279  1.0
  O  O18  1  0.885  0.611  0.730  1.0
[/CIF]
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The material described by MgCu2H4(SeO5)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form distorted MgO5 trigonal bipyramids that share  a cornercorner with one Se(1)O4 tetrahedra,  an edgeedge with one Se(1)O4 tetrahedra, and  an edgeedge with one Se(2)O4 tetrahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) 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 second Cu site, Cu(2) is bonded in a distorted rectangular see-saw-like geometry to one O(10), one O(7), one O(8), and one O(9) atom. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(10) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(9) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(10) and one O(6) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(9) atom. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form SeO4 tetrahedra that share  a cornercorner with one Mg(1)O5 trigonal bipyramid and  an edgeedge with one Mg(1)O5 trigonal bipyramid. In the second Se site, Se(2) is bonded to one O(2), one O(4), one O(6), and one O(8) atom to form SeO4 tetrahedra that share  an edgeedge with one Mg(1)O5 trigonal bipyramid. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Cu(1) and one Se(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Cu(1) and one Se(2) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Cu(1), and one Se(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Cu(1) and one Se(2) atom. In the fifth O site, O(5) is bonded in a distorted L-shaped geometry to one Mg(1) and one Se(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mg(1), one H(3), and one Se(2) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Mg(1), one Cu(2), and one Se(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Cu(2), and one Se(2) atom. In the ninth O site, O(9) is bonded in a water-like geometry to one Cu(2), one H(2), and one H(4) atom. In the tenth O site, O(10) is bonded in a distorted water-like geometry to one Cu(2), one H(1), and one H(3) atom. is represented by the CIF card [CIF]
data_MgCu2H4(SeO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.351
_cell_length_b   5.910
_cell_length_c   7.689
_cell_angle_alpha   101.935
_cell_angle_beta   102.708
_cell_angle_gamma   101.689
_symmetry_Int_Tables_number   1
_cell_volume   224.109
_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  0.066  0.966  0.423  1.0
  Cu  Cu1  1  0.963  0.005  0.003  1.0
  Cu  Cu2  1  0.549  0.497  0.495  1.0
  H  H3  1  0.900  0.476  0.784  1.0
  H  H4  1  0.103  0.536  0.216  1.0
  H  H5  1  0.053  0.666  0.697  1.0
  H  H6  1  0.973  0.347  0.308  1.0
  Se  Se7  1  0.538  0.845  0.226  1.0
  Se  Se8  1  0.440  0.129  0.774  1.0
  O  O9  1  0.630  0.820  0.024  1.0
  O  O10  1  0.313  0.192  0.950  1.0
  O  O11  1  0.171  0.892  0.184  1.0
  O  O12  1  0.774  0.184  0.834  1.0
  O  O13  1  0.747  0.119  0.361  1.0
  O  O14  1  0.292  0.850  0.630  1.0
  O  O15  1  0.737  0.681  0.361  1.0
  O  O16  1  0.340  0.283  0.613  1.0
  O  O17  1  0.140  0.412  0.279  1.0
  O  O18  1  0.885  0.611  0.730  1.0
[/CIF]
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