The compound described by Mg(H2O)6(ZnBr3)2 is Indium-derived structured and crystallizes in the orthorhombic Immm space group. The structure is zero-dimensional and consists of two Mg(H2O)6 clusters and two ZnBr3 clusters. In each Mg(H2O)6 cluster, Mg(1) is bonded in an octahedral geometry to two equivalent O(2) and four equivalent O(1) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1) and two equivalent H(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1) and two equivalent H(2) atoms. In each ZnBr3 cluster, Zn(1) is bonded to two equivalent Br(1) and two equivalent Br(2) atoms to form edge-sharing ZnBr4 tetrahedra. There are two inequivalent Br sites. In the first Br site, Br(2) is bonded in a single-bond geometry to one Zn(1) atom. In the second Br site, Br(1) is bonded in an L-shaped geometry to two equivalent Zn(1) atoms. is represented by the CIF card [CIF]
data_MgZn2H12(BrO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.496
_cell_length_b   8.496
_cell_length_c   8.496
_cell_angle_alpha   121.583
_cell_angle_beta   104.779
_cell_angle_gamma   102.778
_symmetry_Int_Tables_number   1
_cell_volume   455.830
_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
  Zn  Zn1  1  0.342  0.842  0.500  1.0
  Zn  Zn2  1  0.658  0.158  0.500  1.0
  H  H3  1  0.102  0.163  0.412  1.0
  H  H4  1  0.249  0.837  0.939  1.0
  H  H5  1  0.751  0.690  0.588  1.0
  H  H6  1  0.898  0.310  0.061  1.0
  H  H7  1  0.898  0.837  0.588  1.0
  H  H8  1  0.751  0.163  0.061  1.0
  H  H9  1  0.249  0.310  0.412  1.0
  H  H10  1  0.102  0.690  0.939  1.0
  H  H11  1  0.826  0.750  0.077  1.0
  H  H12  1  0.327  0.250  0.077  1.0
  H  H13  1  0.673  0.750  0.923  1.0
  H  H14  1  0.174  0.250  0.923  1.0
  Br  Br15  1  0.500  0.223  0.723  1.0
  Br  Br16  1  0.500  0.777  0.277  1.0
  Br  Br17  1  0.021  0.713  0.309  1.0
  Br  Br18  1  0.596  0.287  0.309  1.0
  Br  Br19  1  0.404  0.713  0.691  1.0
  Br  Br20  1  0.979  0.287  0.691  1.0
  O  O21  1  0.147  0.176  0.323  1.0
  O  O22  1  0.147  0.824  0.971  1.0
  O  O23  1  0.853  0.824  0.677  1.0
  O  O24  1  0.853  0.176  0.029  1.0
  O  O25  1  0.804  0.804  0.000  1.0
  O  O26  1  0.196  0.196  0.000  1.0
[/CIF]
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The compound described by Mg(H2O)6(ZnBr3)2 is Indium-derived structured and crystallizes in the orthorhombic Immm space group. The structure is zero-dimensional and consists of two Mg(H2O)6 clusters and two ZnBr3 clusters. In each Mg(H2O)6 cluster, Mg(1) is bonded in an octahedral geometry to two equivalent O(2) and four equivalent O(1) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1) and two equivalent H(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1) and two equivalent H(2) atoms. In each ZnBr3 cluster, Zn(1) is bonded to two equivalent Br(1) and two equivalent Br(2) atoms to form edge-sharing ZnBr4 tetrahedra. There are two inequivalent Br sites. In the first Br site, Br(2) is bonded in a single-bond geometry to one Zn(1) atom. In the second Br site, Br(1) is bonded in an L-shaped geometry to two equivalent Zn(1) atoms. is represented by the CIF card [CIF]
data_MgZn2H12(BrO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.496
_cell_length_b   8.496
_cell_length_c   8.496
_cell_angle_alpha   121.583
_cell_angle_beta   104.779
_cell_angle_gamma   102.778
_symmetry_Int_Tables_number   1
_cell_volume   455.830
_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
  Zn  Zn1  1  0.342  0.842  0.500  1.0
  Zn  Zn2  1  0.658  0.158  0.500  1.0
  H  H3  1  0.102  0.163  0.412  1.0
  H  H4  1  0.249  0.837  0.939  1.0
  H  H5  1  0.751  0.690  0.588  1.0
  H  H6  1  0.898  0.310  0.061  1.0
  H  H7  1  0.898  0.837  0.588  1.0
  H  H8  1  0.751  0.163  0.061  1.0
  H  H9  1  0.249  0.310  0.412  1.0
  H  H10  1  0.102  0.690  0.939  1.0
  H  H11  1  0.826  0.750  0.077  1.0
  H  H12  1  0.327  0.250  0.077  1.0
  H  H13  1  0.673  0.750  0.923  1.0
  H  H14  1  0.174  0.250  0.923  1.0
  Br  Br15  1  0.500  0.223  0.723  1.0
  Br  Br16  1  0.500  0.777  0.277  1.0
  Br  Br17  1  0.021  0.713  0.309  1.0
  Br  Br18  1  0.596  0.287  0.309  1.0
  Br  Br19  1  0.404  0.713  0.691  1.0
  Br  Br20  1  0.979  0.287  0.691  1.0
  O  O21  1  0.147  0.176  0.323  1.0
  O  O22  1  0.147  0.824  0.971  1.0
  O  O23  1  0.853  0.824  0.677  1.0
  O  O24  1  0.853  0.176  0.029  1.0
  O  O25  1  0.804  0.804  0.000  1.0
  O  O26  1  0.196  0.196  0.000  1.0
[/CIF]
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