The material described by MgZnO7Br4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Mg site, Mg(2) is bonded in a distorted octahedral geometry to two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. Zn(1) is bonded in a trigonal planar geometry to one Br(1), one Br(3), and one Br(4) atom. There are seven inequivalent O sites. In the first O site, O(3) is bonded in a bent 120 degrees geometry to one Mg(1) and one O(7) atom. In the second O site, O(4) is bonded in a bent 120 degrees geometry to one Mg(2) and one Br(2) atom. In the third O site, O(5) is bonded in a bent 120 degrees geometry to one Mg(2) and one Br(2) atom. In the fourth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Mg(2) and one O(7) atom. In the fifth O site, O(7) is bonded in a bent 120 degrees geometry to one O(3) and one O(6) atom. In the sixth O site, O(1) is bonded in a bent 120 degrees geometry to one Mg(1) and one Br(1) atom. In the seventh O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Mg(1) and one Br(4) atom. There are four inequivalent Br sites. In the first Br site, Br(1) is bonded in a water-like geometry to one Zn(1) and one O(1) atom. In the second Br site, Br(2) is bonded in a water-like geometry to one O(4) and one O(5) atom. In the third Br site, Br(3) is bonded in a single-bond geometry to one Zn(1) atom. In the fourth Br site, Br(4) is bonded in a water-like geometry to one Zn(1) and one O(2) atom. is represented by the CIF file [CIF]
data_MgZnBr4O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.860
_cell_length_b   6.323
_cell_length_c   11.774
_cell_angle_alpha   66.682
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1015.886
_cell_formula_units_Z   4
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  0.500  0.500  1.0
  Mg  Mg1  1  0.500  0.500  0.000  1.0
  Mg  Mg2  1  0.000  0.500  0.000  1.0
  Mg  Mg3  1  0.500  0.500  0.500  1.0
  Zn  Zn4  1  0.739  0.791  0.218  1.0
  Zn  Zn5  1  0.761  0.791  0.718  1.0
  Zn  Zn6  1  0.261  0.209  0.782  1.0
  Zn  Zn7  1  0.239  0.209  0.282  1.0
  Br  Br8  1  0.671  0.143  0.063  1.0
  Br  Br9  1  0.829  0.143  0.563  1.0
  Br  Br10  1  0.329  0.857  0.937  1.0
  Br  Br11  1  0.171  0.857  0.437  1.0
  Br  Br12  1  0.068  0.864  0.120  1.0
  Br  Br13  1  0.432  0.864  0.620  1.0
  Br  Br14  1  0.932  0.136  0.880  1.0
  Br  Br15  1  0.568  0.136  0.380  1.0
  Br  Br16  1  0.770  0.444  0.212  1.0
  Br  Br17  1  0.730  0.444  0.712  1.0
  Br  Br18  1  0.230  0.556  0.788  1.0
  Br  Br19  1  0.270  0.556  0.288  1.0
  Br  Br20  1  0.827  0.893  0.364  1.0
  Br  Br21  1  0.673  0.893  0.864  1.0
  Br  Br22  1  0.173  0.107  0.636  1.0
  Br  Br23  1  0.327  0.107  0.136  1.0
  O  O24  1  0.065  0.803  0.385  1.0
  O  O25  1  0.435  0.803  0.885  1.0
  O  O26  1  0.935  0.197  0.615  1.0
  O  O27  1  0.565  0.197  0.115  1.0
  O  O28  1  0.873  0.628  0.467  1.0
  O  O29  1  0.627  0.628  0.967  1.0
  O  O30  1  0.127  0.372  0.533  1.0
  O  O31  1  0.373  0.372  0.033  1.0
  O  O32  1  0.986  0.485  0.308  1.0
  O  O33  1  0.514  0.485  0.808  1.0
  O  O34  1  0.014  0.515  0.692  1.0
  O  O35  1  0.486  0.515  0.192  1.0
  O  O36  1  0.900  0.317  0.952  1.0
  O  O37  1  0.600  0.317  0.452  1.0
  O  O38  1  0.100  0.683  0.048  1.0
  O  O39  1  0.400  0.683  0.548  1.0
  O  O40  1  0.910  0.861  0.987  1.0
  O  O41  1  0.590  0.861  0.487  1.0
  O  O42  1  0.090  0.139  0.013  1.0
  O  O43  1  0.410  0.139  0.513  1.0
  O  O44  1  0.982  0.281  0.185  1.0
  O  O45  1  0.518  0.281  0.685  1.0
  O  O46  1  0.018  0.719  0.815  1.0
  O  O47  1  0.482  0.719  0.315  1.0
  O  O48  1  0.998  0.283  0.298  1.0
  O  O49  1  0.502  0.283  0.798  1.0
  O  O50  1  0.002  0.717  0.702  1.0
  O  O51  1  0.498  0.717  0.202  1.0
[/CIF]
.
The material described by MgZnO7Br4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Mg site, Mg(2) is bonded in a distorted octahedral geometry to two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. Zn(1) is bonded in a trigonal planar geometry to one Br(1), one Br(3), and one Br(4) atom. There are seven inequivalent O sites. In the first O site, O(3) is bonded in a bent 120 degrees geometry to one Mg(1) and one O(7) atom. In the second O site, O(4) is bonded in a bent 120 degrees geometry to one Mg(2) and one Br(2) atom. In the third O site, O(5) is bonded in a bent 120 degrees geometry to one Mg(2) and one Br(2) atom. In the fourth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Mg(2) and one O(7) atom. In the fifth O site, O(7) is bonded in a bent 120 degrees geometry to one O(3) and one O(6) atom. In the sixth O site, O(1) is bonded in a bent 120 degrees geometry to one Mg(1) and one Br(1) atom. In the seventh O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Mg(1) and one Br(4) atom. There are four inequivalent Br sites. In the first Br site, Br(1) is bonded in a water-like geometry to one Zn(1) and one O(1) atom. In the second Br site, Br(2) is bonded in a water-like geometry to one O(4) and one O(5) atom. In the third Br site, Br(3) is bonded in a single-bond geometry to one Zn(1) atom. In the fourth Br site, Br(4) is bonded in a water-like geometry to one Zn(1) and one O(2) atom. is represented by the CIF file [CIF]
data_MgZnBr4O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.860
_cell_length_b   6.323
_cell_length_c   11.774
_cell_angle_alpha   66.682
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1015.886
_cell_formula_units_Z   4
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  0.500  0.500  1.0
  Mg  Mg1  1  0.500  0.500  0.000  1.0
  Mg  Mg2  1  0.000  0.500  0.000  1.0
  Mg  Mg3  1  0.500  0.500  0.500  1.0
  Zn  Zn4  1  0.739  0.791  0.218  1.0
  Zn  Zn5  1  0.761  0.791  0.718  1.0
  Zn  Zn6  1  0.261  0.209  0.782  1.0
  Zn  Zn7  1  0.239  0.209  0.282  1.0
  Br  Br8  1  0.671  0.143  0.063  1.0
  Br  Br9  1  0.829  0.143  0.563  1.0
  Br  Br10  1  0.329  0.857  0.937  1.0
  Br  Br11  1  0.171  0.857  0.437  1.0
  Br  Br12  1  0.068  0.864  0.120  1.0
  Br  Br13  1  0.432  0.864  0.620  1.0
  Br  Br14  1  0.932  0.136  0.880  1.0
  Br  Br15  1  0.568  0.136  0.380  1.0
  Br  Br16  1  0.770  0.444  0.212  1.0
  Br  Br17  1  0.730  0.444  0.712  1.0
  Br  Br18  1  0.230  0.556  0.788  1.0
  Br  Br19  1  0.270  0.556  0.288  1.0
  Br  Br20  1  0.827  0.893  0.364  1.0
  Br  Br21  1  0.673  0.893  0.864  1.0
  Br  Br22  1  0.173  0.107  0.636  1.0
  Br  Br23  1  0.327  0.107  0.136  1.0
  O  O24  1  0.065  0.803  0.385  1.0
  O  O25  1  0.435  0.803  0.885  1.0
  O  O26  1  0.935  0.197  0.615  1.0
  O  O27  1  0.565  0.197  0.115  1.0
  O  O28  1  0.873  0.628  0.467  1.0
  O  O29  1  0.627  0.628  0.967  1.0
  O  O30  1  0.127  0.372  0.533  1.0
  O  O31  1  0.373  0.372  0.033  1.0
  O  O32  1  0.986  0.485  0.308  1.0
  O  O33  1  0.514  0.485  0.808  1.0
  O  O34  1  0.014  0.515  0.692  1.0
  O  O35  1  0.486  0.515  0.192  1.0
  O  O36  1  0.900  0.317  0.952  1.0
  O  O37  1  0.600  0.317  0.452  1.0
  O  O38  1  0.100  0.683  0.048  1.0
  O  O39  1  0.400  0.683  0.548  1.0
  O  O40  1  0.910  0.861  0.987  1.0
  O  O41  1  0.590  0.861  0.487  1.0
  O  O42  1  0.090  0.139  0.013  1.0
  O  O43  1  0.410  0.139  0.513  1.0
  O  O44  1  0.982  0.281  0.185  1.0
  O  O45  1  0.518  0.281  0.685  1.0
  O  O46  1  0.018  0.719  0.815  1.0
  O  O47  1  0.482  0.719  0.315  1.0
  O  O48  1  0.998  0.283  0.298  1.0
  O  O49  1  0.502  0.283  0.798  1.0
  O  O50  1  0.002  0.717  0.702  1.0
  O  O51  1  0.498  0.717  0.202  1.0
[/CIF]
.