The compound 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 4-coordinate geometry to one O(5), 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(3) atom. In the third O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Mg(2), one Zn(1), and one Br(2) atom. In the fourth O site, O(6) is bonded in a distorted bent 120 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 distorted trigonal non-coplanar geometry to one Mg(1), one Br(1), and one Br(2) atom. In the seventh O site, O(2) is bonded in a 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 distorted bent 120 degrees geometry to one Zn(1) and one O(1) atom. In the second Br site, Br(2) is bonded in a distorted bent 150 degrees geometry to one O(1) and one O(5) atom. In the third Br site, Br(3) is bonded in a bent 120 degrees geometry to one Zn(1) and one O(4) atom. In the fourth Br site, Br(4) is bonded in a distorted 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   7.373
_cell_length_b   12.794
_cell_length_c   11.071
_cell_angle_alpha   90.000
_cell_angle_beta   110.364
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   978.930
_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  0.500  0.000  0.500  1.0
  Mg  Mg1  1  0.500  0.500  0.000  1.0
  Mg  Mg2  1  0.500  0.000  0.000  1.0
  Mg  Mg3  1  0.500  0.500  0.500  1.0
  Zn  Zn4  1  0.211  0.214  0.151  1.0
  Zn  Zn5  1  0.211  0.286  0.651  1.0
  Zn  Zn6  1  0.789  0.786  0.849  1.0
  Zn  Zn7  1  0.789  0.714  0.349  1.0
  Br  Br8  1  0.901  0.340  0.049  1.0
  Br  Br9  1  0.901  0.160  0.549  1.0
  Br  Br10  1  0.099  0.660  0.951  1.0
  Br  Br11  1  0.099  0.840  0.451  1.0
  Br  Br12  1  0.171  0.989  0.180  1.0
  Br  Br13  1  0.171  0.511  0.680  1.0
  Br  Br14  1  0.829  0.011  0.820  1.0
  Br  Br15  1  0.829  0.489  0.320  1.0
  Br  Br16  1  0.492  0.325  0.267  1.0
  Br  Br17  1  0.492  0.175  0.767  1.0
  Br  Br18  1  0.508  0.675  0.733  1.0
  Br  Br19  1  0.508  0.825  0.233  1.0
  Br  Br20  1  0.147  0.192  0.380  1.0
  Br  Br21  1  0.147  0.308  0.880  1.0
  Br  Br22  1  0.853  0.808  0.620  1.0
  Br  Br23  1  0.853  0.692  0.120  1.0
  O  O24  1  0.253  0.904  0.371  1.0
  O  O25  1  0.253  0.596  0.871  1.0
  O  O26  1  0.747  0.096  0.629  1.0
  O  O27  1  0.747  0.404  0.129  1.0
  O  O28  1  0.361  0.141  0.503  1.0
  O  O29  1  0.361  0.359  0.003  1.0
  O  O30  1  0.639  0.859  0.497  1.0
  O  O31  1  0.639  0.641  0.997  1.0
  O  O32  1  0.539  0.068  0.331  1.0
  O  O33  1  0.539  0.432  0.831  1.0
  O  O34  1  0.461  0.932  0.669  1.0
  O  O35  1  0.461  0.568  0.169  1.0
  O  O36  1  0.500  0.143  0.924  1.0
  O  O37  1  0.500  0.357  0.424  1.0
  O  O38  1  0.500  0.857  0.076  1.0
  O  O39  1  0.500  0.643  0.576  1.0
  O  O40  1  0.211  0.085  0.062  1.0
  O  O41  1  0.211  0.415  0.562  1.0
  O  O42  1  0.789  0.915  0.938  1.0
  O  O43  1  0.789  0.585  0.438  1.0
  O  O44  1  0.681  0.053  0.181  1.0
  O  O45  1  0.681  0.447  0.681  1.0
  O  O46  1  0.319  0.947  0.819  1.0
  O  O47  1  0.319  0.553  0.319  1.0
  O  O48  1  0.679  0.022  0.295  1.0
  O  O49  1  0.679  0.478  0.795  1.0
  O  O50  1  0.321  0.978  0.705  1.0
  O  O51  1  0.321  0.522  0.205  1.0
[/CIF]
.
The compound 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 4-coordinate geometry to one O(5), 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(3) atom. In the third O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Mg(2), one Zn(1), and one Br(2) atom. In the fourth O site, O(6) is bonded in a distorted bent 120 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 distorted trigonal non-coplanar geometry to one Mg(1), one Br(1), and one Br(2) atom. In the seventh O site, O(2) is bonded in a 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 distorted bent 120 degrees geometry to one Zn(1) and one O(1) atom. In the second Br site, Br(2) is bonded in a distorted bent 150 degrees geometry to one O(1) and one O(5) atom. In the third Br site, Br(3) is bonded in a bent 120 degrees geometry to one Zn(1) and one O(4) atom. In the fourth Br site, Br(4) is bonded in a distorted 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   7.373
_cell_length_b   12.794
_cell_length_c   11.071
_cell_angle_alpha   90.000
_cell_angle_beta   110.364
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   978.930
_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  0.500  0.000  0.500  1.0
  Mg  Mg1  1  0.500  0.500  0.000  1.0
  Mg  Mg2  1  0.500  0.000  0.000  1.0
  Mg  Mg3  1  0.500  0.500  0.500  1.0
  Zn  Zn4  1  0.211  0.214  0.151  1.0
  Zn  Zn5  1  0.211  0.286  0.651  1.0
  Zn  Zn6  1  0.789  0.786  0.849  1.0
  Zn  Zn7  1  0.789  0.714  0.349  1.0
  Br  Br8  1  0.901  0.340  0.049  1.0
  Br  Br9  1  0.901  0.160  0.549  1.0
  Br  Br10  1  0.099  0.660  0.951  1.0
  Br  Br11  1  0.099  0.840  0.451  1.0
  Br  Br12  1  0.171  0.989  0.180  1.0
  Br  Br13  1  0.171  0.511  0.680  1.0
  Br  Br14  1  0.829  0.011  0.820  1.0
  Br  Br15  1  0.829  0.489  0.320  1.0
  Br  Br16  1  0.492  0.325  0.267  1.0
  Br  Br17  1  0.492  0.175  0.767  1.0
  Br  Br18  1  0.508  0.675  0.733  1.0
  Br  Br19  1  0.508  0.825  0.233  1.0
  Br  Br20  1  0.147  0.192  0.380  1.0
  Br  Br21  1  0.147  0.308  0.880  1.0
  Br  Br22  1  0.853  0.808  0.620  1.0
  Br  Br23  1  0.853  0.692  0.120  1.0
  O  O24  1  0.253  0.904  0.371  1.0
  O  O25  1  0.253  0.596  0.871  1.0
  O  O26  1  0.747  0.096  0.629  1.0
  O  O27  1  0.747  0.404  0.129  1.0
  O  O28  1  0.361  0.141  0.503  1.0
  O  O29  1  0.361  0.359  0.003  1.0
  O  O30  1  0.639  0.859  0.497  1.0
  O  O31  1  0.639  0.641  0.997  1.0
  O  O32  1  0.539  0.068  0.331  1.0
  O  O33  1  0.539  0.432  0.831  1.0
  O  O34  1  0.461  0.932  0.669  1.0
  O  O35  1  0.461  0.568  0.169  1.0
  O  O36  1  0.500  0.143  0.924  1.0
  O  O37  1  0.500  0.357  0.424  1.0
  O  O38  1  0.500  0.857  0.076  1.0
  O  O39  1  0.500  0.643  0.576  1.0
  O  O40  1  0.211  0.085  0.062  1.0
  O  O41  1  0.211  0.415  0.562  1.0
  O  O42  1  0.789  0.915  0.938  1.0
  O  O43  1  0.789  0.585  0.438  1.0
  O  O44  1  0.681  0.053  0.181  1.0
  O  O45  1  0.681  0.447  0.681  1.0
  O  O46  1  0.319  0.947  0.819  1.0
  O  O47  1  0.319  0.553  0.319  1.0
  O  O48  1  0.679  0.022  0.295  1.0
  O  O49  1  0.679  0.478  0.795  1.0
  O  O50  1  0.321  0.978  0.705  1.0
  O  O51  1  0.321  0.522  0.205  1.0
[/CIF]
.