The compound described by K2Mg2Br3(O4Cl)3 crystallizes in the monoclinic P2/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a distorted square co-planar geometry to two equivalent Br(1) and two equivalent Cl(1) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to two equivalent O(6), two equivalent Br(2), two equivalent Cl(1), and two equivalent Cl(2) atoms. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted square co-planar geometry to two equivalent O(3) and two equivalent O(5) atoms. In the second Mg site, Mg(2) is bonded in an octahedral geometry to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms. There are six inequivalent O sites. In the first O site, O(4) is bonded in a water-like geometry to one Mg(2) and one O(1) atom. In the second O site, O(5) is bonded in a distorted water-like geometry to one Mg(1) and one O(1) atom. In the third O site, O(6) is bonded in a 3-coordinate geometry to one K(2), one Mg(2), and one Br(2) atom. In the fourth O site, O(1) is bonded in a distorted bent 120 degrees geometry to one O(4) and one O(5) atom. In the fifth O site, O(2) is bonded in a trigonal non-coplanar geometry to one Mg(2), one Cl(1), and one Cl(2) atom. In the sixth O site, O(3) is bonded in a bent 150 degrees geometry to one Mg(1) and one Br(1) atom. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted square co-planar geometry to two equivalent K(1) and two equivalent O(3) atoms. In the second Br site, Br(2) is bonded in a 1-coordinate geometry to one K(2) and one O(6) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted trigonal non-coplanar geometry to one K(1), one K(2), and one O(2) atom. In the second Cl site, Cl(2) is bonded in a distorted square co-planar geometry to two equivalent K(2) and two equivalent O(2) atoms. is represented by the CIF card [CIF]
data_K2Mg2Br3(ClO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.793
_cell_length_b   9.838
_cell_length_c   14.774
_cell_angle_alpha   68.918
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   921.215
_cell_formula_units_Z   2
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
  K  K0  1  0.967  0.500  0.750  1.0
  K  K1  1  0.033  0.500  0.250  1.0
  K  K2  1  0.828  0.000  0.250  1.0
  K  K3  1  0.172  0.000  0.750  1.0
  Mg  Mg4  1  0.500  0.500  0.500  1.0
  Mg  Mg5  1  0.500  0.500  0.000  1.0
  Mg  Mg6  1  0.500  0.000  0.000  1.0
  Mg  Mg7  1  0.500  0.000  0.500  1.0
  Br  Br8  1  0.477  0.500  0.750  1.0
  Br  Br9  1  0.523  0.500  0.250  1.0
  Br  Br10  1  0.786  0.731  0.459  1.0
  Br  Br11  1  0.786  0.269  0.041  1.0
  Br  Br12  1  0.214  0.731  0.959  1.0
  Br  Br13  1  0.214  0.269  0.541  1.0
  Cl  Cl14  1  0.127  0.845  0.144  1.0
  Cl  Cl15  1  0.127  0.155  0.356  1.0
  Cl  Cl16  1  0.873  0.845  0.644  1.0
  Cl  Cl17  1  0.873  0.155  0.856  1.0
  Cl  Cl18  1  0.356  0.000  0.250  1.0
  Cl  Cl19  1  0.644  0.000  0.750  1.0
  O  O20  1  0.314  0.751  0.477  1.0
  O  O21  1  0.314  0.249  0.023  1.0
  O  O22  1  0.686  0.751  0.977  1.0
  O  O23  1  0.686  0.249  0.523  1.0
  O  O24  1  0.357  0.904  0.151  1.0
  O  O25  1  0.357  0.096  0.349  1.0
  O  O26  1  0.643  0.904  0.651  1.0
  O  O27  1  0.643  0.096  0.849  1.0
  O  O28  1  0.497  0.558  0.356  1.0
  O  O29  1  0.497  0.442  0.144  1.0
  O  O30  1  0.503  0.558  0.856  1.0
  O  O31  1  0.503  0.442  0.644  1.0
  O  O32  1  0.297  0.184  0.956  1.0
  O  O33  1  0.297  0.816  0.544  1.0
  O  O34  1  0.703  0.184  0.456  1.0
  O  O35  1  0.703  0.816  0.044  1.0
  O  O36  1  0.764  0.389  0.492  1.0
  O  O37  1  0.764  0.611  0.008  1.0
  O  O38  1  0.236  0.389  0.992  1.0
  O  O39  1  0.236  0.611  0.508  1.0
  O  O40  1  0.308  0.913  0.931  1.0
  O  O41  1  0.308  0.087  0.569  1.0
  O  O42  1  0.692  0.913  0.431  1.0
  O  O43  1  0.692  0.087  0.069  1.0
[/CIF]
.
The compound described by K2Mg2Br3(O4Cl)3 crystallizes in the monoclinic P2/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a distorted square co-planar geometry to two equivalent Br(1) and two equivalent Cl(1) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to two equivalent O(6), two equivalent Br(2), two equivalent Cl(1), and two equivalent Cl(2) atoms. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted square co-planar geometry to two equivalent O(3) and two equivalent O(5) atoms. In the second Mg site, Mg(2) is bonded in an octahedral geometry to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms. There are six inequivalent O sites. In the first O site, O(4) is bonded in a water-like geometry to one Mg(2) and one O(1) atom. In the second O site, O(5) is bonded in a distorted water-like geometry to one Mg(1) and one O(1) atom. In the third O site, O(6) is bonded in a 3-coordinate geometry to one K(2), one Mg(2), and one Br(2) atom. In the fourth O site, O(1) is bonded in a distorted bent 120 degrees geometry to one O(4) and one O(5) atom. In the fifth O site, O(2) is bonded in a trigonal non-coplanar geometry to one Mg(2), one Cl(1), and one Cl(2) atom. In the sixth O site, O(3) is bonded in a bent 150 degrees geometry to one Mg(1) and one Br(1) atom. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted square co-planar geometry to two equivalent K(1) and two equivalent O(3) atoms. In the second Br site, Br(2) is bonded in a 1-coordinate geometry to one K(2) and one O(6) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted trigonal non-coplanar geometry to one K(1), one K(2), and one O(2) atom. In the second Cl site, Cl(2) is bonded in a distorted square co-planar geometry to two equivalent K(2) and two equivalent O(2) atoms. is represented by the CIF card [CIF]
data_K2Mg2Br3(ClO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.793
_cell_length_b   9.838
_cell_length_c   14.774
_cell_angle_alpha   68.918
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   921.215
_cell_formula_units_Z   2
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
  K  K0  1  0.967  0.500  0.750  1.0
  K  K1  1  0.033  0.500  0.250  1.0
  K  K2  1  0.828  0.000  0.250  1.0
  K  K3  1  0.172  0.000  0.750  1.0
  Mg  Mg4  1  0.500  0.500  0.500  1.0
  Mg  Mg5  1  0.500  0.500  0.000  1.0
  Mg  Mg6  1  0.500  0.000  0.000  1.0
  Mg  Mg7  1  0.500  0.000  0.500  1.0
  Br  Br8  1  0.477  0.500  0.750  1.0
  Br  Br9  1  0.523  0.500  0.250  1.0
  Br  Br10  1  0.786  0.731  0.459  1.0
  Br  Br11  1  0.786  0.269  0.041  1.0
  Br  Br12  1  0.214  0.731  0.959  1.0
  Br  Br13  1  0.214  0.269  0.541  1.0
  Cl  Cl14  1  0.127  0.845  0.144  1.0
  Cl  Cl15  1  0.127  0.155  0.356  1.0
  Cl  Cl16  1  0.873  0.845  0.644  1.0
  Cl  Cl17  1  0.873  0.155  0.856  1.0
  Cl  Cl18  1  0.356  0.000  0.250  1.0
  Cl  Cl19  1  0.644  0.000  0.750  1.0
  O  O20  1  0.314  0.751  0.477  1.0
  O  O21  1  0.314  0.249  0.023  1.0
  O  O22  1  0.686  0.751  0.977  1.0
  O  O23  1  0.686  0.249  0.523  1.0
  O  O24  1  0.357  0.904  0.151  1.0
  O  O25  1  0.357  0.096  0.349  1.0
  O  O26  1  0.643  0.904  0.651  1.0
  O  O27  1  0.643  0.096  0.849  1.0
  O  O28  1  0.497  0.558  0.356  1.0
  O  O29  1  0.497  0.442  0.144  1.0
  O  O30  1  0.503  0.558  0.856  1.0
  O  O31  1  0.503  0.442  0.644  1.0
  O  O32  1  0.297  0.184  0.956  1.0
  O  O33  1  0.297  0.816  0.544  1.0
  O  O34  1  0.703  0.184  0.456  1.0
  O  O35  1  0.703  0.816  0.044  1.0
  O  O36  1  0.764  0.389  0.492  1.0
  O  O37  1  0.764  0.611  0.008  1.0
  O  O38  1  0.236  0.389  0.992  1.0
  O  O39  1  0.236  0.611  0.508  1.0
  O  O40  1  0.308  0.913  0.931  1.0
  O  O41  1  0.308  0.087  0.569  1.0
  O  O42  1  0.692  0.913  0.431  1.0
  O  O43  1  0.692  0.087  0.069  1.0
[/CIF]
.