The material described by MgCu2Zn3H14(SO9)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a tetrahedral geometry to one O(10), one O(12), one O(14), and one O(17) atom. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted bent 150 degrees geometry to one O(10) and one O(9) atom. In the second Cu site, Cu(2) is bonded in a 4-coordinate geometry to one O(11), one O(12), one O(13), and one O(2) atom. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(15), one O(16), one O(18), one O(7), and one O(8) atom to form ZnO5 square pyramids that share  a cornercorner with one S(1)O4 tetrahedra and  a cornercorner with one S(2)O4 tetrahedra. In the second Zn site, Zn(2) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(12), one O(14), one O(2), and one O(9) atom. In the third Zn site, Zn(3) is bonded to one O(1), one O(11), one O(13), and one O(9) atom to form distorted ZnO4 trigonal pyramids that share  a cornercorner with one S(1)O4 tetrahedra. There are fourteen inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one O(16) and one O(6) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(15) and one O(5) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(16) and one O(3) atom. In the fourth H site, H(4) is bonded in a distorted single-bond geometry to one O(15) and one O(4) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(17) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(18) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(17) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one O(18) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one O(13) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one O(14) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one O(9) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one O(10) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one O(11) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one O(12) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form SO4 tetrahedra that share  a cornercorner with one Zn(1)O5 square pyramid and  a cornercorner with one Zn(3)O4 trigonal pyramid. In the second S site, S(2) is bonded to one O(2), one O(4), one O(6), and one O(8) atom to form SO4 tetrahedra that share  a cornercorner with one Zn(1)O5 square pyramid. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Zn(3) and one S(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Cu(2), one Zn(2), and one S(2) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one H(3) and one S(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one H(4) and one S(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one H(2) and one S(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one H(1) and one S(2) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Zn(1) and one S(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Zn(1) and one S(2) atom. In the ninth O site, O(9) is bonded in a distorted tetrahedral geometry to one Cu(1), one Zn(2), one Zn(3), and one H(11) atom. In the tenth O site, O(10) is bonded in a 1-coordinate geometry to one Mg(1), one Cu(1), one Zn(2), and one H(12) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Cu(2), one Zn(2), one Zn(3), and one H(13) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Mg(1), one Cu(2), one Zn(2), and one H(14) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Cu(2), one Zn(3), and one H(9) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Zn(2), and one H(10) atom. In the fifteenth O site, O(15) is bonded in a distorted water-like geometry to one Zn(1), one H(2), and one H(4) atom. In the sixteenth O site, O(16) is bonded in a distorted water-like geometry to one Zn(1), one H(1), and one H(3) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one H(5), and one H(7) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal non-coplanar geometry to one Zn(1), one H(6), and one H(8) atom. is represented by the CIF card [CIF]
data_MgZn3Cu2H14(SO9)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.554
_cell_length_b   6.790
_cell_length_c   10.730
_cell_angle_alpha   94.787
_cell_angle_beta   82.641
_cell_angle_gamma   86.269
_symmetry_Int_Tables_number   1
_cell_volume   398.713
_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  0.875  0.752  0.682  1.0
  Zn  Zn1  1  0.024  0.027  0.013  1.0
  Zn  Zn2  1  0.457  0.734  0.527  1.0
  Zn  Zn3  1  0.405  0.232  0.461  1.0
  Cu  Cu4  1  0.982  0.019  0.488  1.0
  Cu  Cu5  1  0.982  0.390  0.414  1.0
  H  H6  1  0.760  0.359  0.057  1.0
  H  H7  1  0.250  0.666  0.941  1.0
  H  H8  1  0.663  0.253  0.934  1.0
  H  H9  1  0.352  0.753  0.069  1.0
  H  H10  1  0.849  0.656  0.904  1.0
  H  H11  1  0.141  0.346  0.135  1.0
  H  H12  1  0.597  0.790  0.913  1.0
  H  H13  1  0.395  0.215  0.092  1.0
  H  H14  1  0.777  0.121  0.301  1.0
  H  H15  1  0.236  0.905  0.726  1.0
  H  H16  1  0.343  0.903  0.333  1.0
  H  H17  1  0.651  0.088  0.668  1.0
  H  H18  1  0.352  0.531  0.336  1.0
  H  H19  1  0.644  0.458  0.642  1.0
  S  S20  1  0.273  0.299  0.790  1.0
  S  S21  1  0.751  0.714  0.205  1.0
  O  O22  1  0.246  0.298  0.654  1.0
  O  O23  1  0.790  0.701  0.338  1.0
  O  O24  1  0.539  0.294  0.802  1.0
  O  O25  1  0.483  0.706  0.195  1.0
  O  O26  1  0.139  0.474  0.865  1.0
  O  O27  1  0.890  0.549  0.119  1.0
  O  O28  1  0.169  0.115  0.838  1.0
  O  O29  1  0.833  0.909  0.164  1.0
  O  O30  1  0.318  0.952  0.423  1.0
  O  O31  1  0.705  0.972  0.607  1.0
  O  O32  1  0.287  0.509  0.423  1.0
  O  O33  1  0.718  0.551  0.587  1.0
  O  O34  1  0.735  0.227  0.370  1.0
  O  O35  1  0.217  0.779  0.678  1.0
  O  O36  1  0.304  0.789  0.985  1.0
  O  O37  1  0.708  0.229  0.020  1.0
  O  O38  1  0.773  0.777  0.876  1.0
  O  O39  1  0.219  0.209  0.123  1.0
[/CIF]
.
The material described by MgCu2Zn3H14(SO9)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a tetrahedral geometry to one O(10), one O(12), one O(14), and one O(17) atom. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted bent 150 degrees geometry to one O(10) and one O(9) atom. In the second Cu site, Cu(2) is bonded in a 4-coordinate geometry to one O(11), one O(12), one O(13), and one O(2) atom. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(15), one O(16), one O(18), one O(7), and one O(8) atom to form ZnO5 square pyramids that share  a cornercorner with one S(1)O4 tetrahedra and  a cornercorner with one S(2)O4 tetrahedra. In the second Zn site, Zn(2) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(12), one O(14), one O(2), and one O(9) atom. In the third Zn site, Zn(3) is bonded to one O(1), one O(11), one O(13), and one O(9) atom to form distorted ZnO4 trigonal pyramids that share  a cornercorner with one S(1)O4 tetrahedra. There are fourteen inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one O(16) and one O(6) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(15) and one O(5) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(16) and one O(3) atom. In the fourth H site, H(4) is bonded in a distorted single-bond geometry to one O(15) and one O(4) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(17) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(18) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(17) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one O(18) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one O(13) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one O(14) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one O(9) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one O(10) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one O(11) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one O(12) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form SO4 tetrahedra that share  a cornercorner with one Zn(1)O5 square pyramid and  a cornercorner with one Zn(3)O4 trigonal pyramid. In the second S site, S(2) is bonded to one O(2), one O(4), one O(6), and one O(8) atom to form SO4 tetrahedra that share  a cornercorner with one Zn(1)O5 square pyramid. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Zn(3) and one S(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Cu(2), one Zn(2), and one S(2) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one H(3) and one S(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one H(4) and one S(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one H(2) and one S(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one H(1) and one S(2) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Zn(1) and one S(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Zn(1) and one S(2) atom. In the ninth O site, O(9) is bonded in a distorted tetrahedral geometry to one Cu(1), one Zn(2), one Zn(3), and one H(11) atom. In the tenth O site, O(10) is bonded in a 1-coordinate geometry to one Mg(1), one Cu(1), one Zn(2), and one H(12) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Cu(2), one Zn(2), one Zn(3), and one H(13) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Mg(1), one Cu(2), one Zn(2), and one H(14) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Cu(2), one Zn(3), and one H(9) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Zn(2), and one H(10) atom. In the fifteenth O site, O(15) is bonded in a distorted water-like geometry to one Zn(1), one H(2), and one H(4) atom. In the sixteenth O site, O(16) is bonded in a distorted water-like geometry to one Zn(1), one H(1), and one H(3) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one H(5), and one H(7) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal non-coplanar geometry to one Zn(1), one H(6), and one H(8) atom. is represented by the CIF card [CIF]
data_MgZn3Cu2H14(SO9)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.554
_cell_length_b   6.790
_cell_length_c   10.730
_cell_angle_alpha   94.787
_cell_angle_beta   82.641
_cell_angle_gamma   86.269
_symmetry_Int_Tables_number   1
_cell_volume   398.713
_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  0.875  0.752  0.682  1.0
  Zn  Zn1  1  0.024  0.027  0.013  1.0
  Zn  Zn2  1  0.457  0.734  0.527  1.0
  Zn  Zn3  1  0.405  0.232  0.461  1.0
  Cu  Cu4  1  0.982  0.019  0.488  1.0
  Cu  Cu5  1  0.982  0.390  0.414  1.0
  H  H6  1  0.760  0.359  0.057  1.0
  H  H7  1  0.250  0.666  0.941  1.0
  H  H8  1  0.663  0.253  0.934  1.0
  H  H9  1  0.352  0.753  0.069  1.0
  H  H10  1  0.849  0.656  0.904  1.0
  H  H11  1  0.141  0.346  0.135  1.0
  H  H12  1  0.597  0.790  0.913  1.0
  H  H13  1  0.395  0.215  0.092  1.0
  H  H14  1  0.777  0.121  0.301  1.0
  H  H15  1  0.236  0.905  0.726  1.0
  H  H16  1  0.343  0.903  0.333  1.0
  H  H17  1  0.651  0.088  0.668  1.0
  H  H18  1  0.352  0.531  0.336  1.0
  H  H19  1  0.644  0.458  0.642  1.0
  S  S20  1  0.273  0.299  0.790  1.0
  S  S21  1  0.751  0.714  0.205  1.0
  O  O22  1  0.246  0.298  0.654  1.0
  O  O23  1  0.790  0.701  0.338  1.0
  O  O24  1  0.539  0.294  0.802  1.0
  O  O25  1  0.483  0.706  0.195  1.0
  O  O26  1  0.139  0.474  0.865  1.0
  O  O27  1  0.890  0.549  0.119  1.0
  O  O28  1  0.169  0.115  0.838  1.0
  O  O29  1  0.833  0.909  0.164  1.0
  O  O30  1  0.318  0.952  0.423  1.0
  O  O31  1  0.705  0.972  0.607  1.0
  O  O32  1  0.287  0.509  0.423  1.0
  O  O33  1  0.718  0.551  0.587  1.0
  O  O34  1  0.735  0.227  0.370  1.0
  O  O35  1  0.217  0.779  0.678  1.0
  O  O36  1  0.304  0.789  0.985  1.0
  O  O37  1  0.708  0.229  0.020  1.0
  O  O38  1  0.773  0.777  0.876  1.0
  O  O39  1  0.219  0.209  0.123  1.0
[/CIF]
.