The material described by K4MgZn4H16(O2Br3)4 crystallizes in the triclinic P1 space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one O(4), one O(5), one Br(11), one Br(2), one Br(4), one Br(6), and one Br(7) atom. In the second K site, K(2) is bonded in a 8-coordinate geometry to one Zn(4), one O(3), one O(6), one Br(1), one Br(12), one Br(3), one Br(5), and one Br(8) atom. In the third K site, K(3) is bonded in a 4-coordinate geometry to one O(2), one Br(2), one Br(8), and one Br(9) atom. In the fourth K site, K(4) is bonded in a 6-coordinate geometry to one O(1), one O(8), one Br(10), one Br(3), one Br(6), and one Br(7) atom. Mg(1) is bonded in a 4-coordinate geometry to one Zn(4), one O(7), one Br(1), and one Br(7) atom. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a tetrahedral geometry to one O(1), one Br(2), one Br(6), and one Br(9) atom. In the second Zn site, Zn(2) is bonded in a tetrahedral geometry to one O(2), one Br(1), one Br(10), and one Br(5) atom. In the third Zn site, Zn(3) is bonded in a tetrahedral geometry to one O(3), one Br(11), one Br(4), and one Br(8) atom. In the fourth Zn site, Zn(4) is bonded in a 3-coordinate geometry to one K(2), one Mg(1), one O(4), and one Br(3) atom. There are sixteen inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(2) atom. In the second H site, H(2) is bonded in a distorted linear geometry to one O(1) and one O(5) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(4) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(3) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(2) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(1) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(4) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one O(3) and one Br(9) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one O(6) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one O(5) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one O(8) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one O(7) and one Br(12) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one O(6) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one O(5) atom. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one O(8) atom. In the sixteenth H site, H(16) is bonded in a single-bond geometry to one O(7) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one K(4), one Zn(1), one H(2), and one H(6) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one K(3), one Zn(2), one H(1), and one H(5) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to one K(2), one Zn(3), one H(4), and one H(8) atom. In the fourth O site, O(4) is bonded in a distorted water-like geometry to one K(1), one Zn(4), one H(3), and one H(7) atom. In the fifth O site, O(5) is bonded in a distorted water-like geometry to one K(1), one H(10), one H(14), and one H(2) atom. In the sixth O site, O(6) is bonded in a water-like geometry to one K(2), one H(13), and one H(9) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one H(12), and one H(16) atom. In the eighth O site, O(8) is bonded in a distorted water-like geometry to one K(4), one H(11), and one H(15) atom. There are twelve inequivalent Br sites. In the first Br site, Br(1) is bonded in a 3-coordinate geometry to one K(2), one Mg(1), and one Zn(2) atom. In the second Br site, Br(2) is bonded in a 3-coordinate geometry to one K(1), one K(3), and one Zn(1) atom. In the third Br site, Br(3) is bonded in a 3-coordinate geometry to one K(2), one K(4), and one Zn(4) atom. In the fourth Br site, Br(4) is bonded in a single-bond geometry to one K(1) and one Zn(3) atom. In the fifth Br site, Br(5) is bonded in a distorted single-bond geometry to one K(2) and one Zn(2) atom. In the sixth Br site, Br(6) is bonded in a 3-coordinate geometry to one K(1), one K(4), and one Zn(1) atom. In the seventh Br site, Br(7) is bonded in a distorted single-bond geometry to one K(1), one K(4), and one Mg(1) atom. In the eighth Br site, Br(8) is bonded in a 1-coordinate geometry to one K(2), one K(3), and one Zn(3) atom. In the ninth Br site, Br(9) is bonded in a 3-coordinate geometry to one K(3), one Zn(1), and one H(8) atom. In the tenth Br site, Br(10) is bonded in a water-like geometry to one K(4) and one Zn(2) atom. In the eleventh Br site, Br(11) is bonded in a 2-coordinate geometry to one K(1) and one Zn(3) atom. In the twelfth Br site, Br(12) is bonded in a distorted water-like geometry to one K(2) and one H(12) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K4MgZn4H16(Br3O2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.597
_cell_length_b   13.165
_cell_length_c   13.810
_cell_angle_alpha   88.237
_cell_angle_beta   135.557
_cell_angle_gamma   89.706
_symmetry_Int_Tables_number   1
_cell_volume   965.936
_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
  K  K0  1  0.291  0.804  0.010  1.0
  K  K1  1  0.676  0.325  0.489  1.0
  K  K2  1  0.764  0.152  0.003  1.0
  K  K3  1  0.283  0.711  0.504  1.0
  Mg  Mg4  1  0.795  0.474  0.267  1.0
  Zn  Zn5  1  0.483  0.931  0.751  1.0
  Zn  Zn6  1  0.486  0.418  0.754  1.0
  Zn  Zn7  1  0.520  0.065  0.258  1.0
  Zn  Zn8  1  0.551  0.557  0.309  1.0
  H  H9  1  0.778  0.268  0.785  1.0
  H  H10  1  0.202  0.780  0.711  1.0
  H  H11  1  0.287  0.734  0.244  1.0
  H  H12  1  0.786  0.223  0.296  1.0
  H  H13  1  0.927  0.324  0.931  1.0
  H  H14  1  0.037  0.854  0.571  1.0
  H  H15  1  0.103  0.653  0.138  1.0
  H  H16  1  0.954  0.159  0.441  1.0
  H  H17  1  0.941  0.155  0.745  1.0
  H  H18  1  0.070  0.655  0.740  1.0
  H  H19  1  0.095  0.855  0.242  1.0
  H  H20  1  0.884  0.345  0.171  1.0
  H  H21  1  0.655  0.137  0.642  1.0
  H  H22  1  0.365  0.656  0.852  1.0
  H  H23  1  0.373  0.881  0.363  1.0
  H  H24  1  0.589  0.348  0.068  1.0
  Br  Br25  1  0.225  0.386  0.506  1.0
  Br  Br26  1  0.715  0.903  0.992  1.0
  Br  Br27  1  0.695  0.581  0.541  1.0
  Br  Br28  1  0.294  0.099  0.021  1.0
  Br  Br29  1  0.292  0.356  0.827  1.0
  Br  Br30  1  0.719  0.898  0.700  1.0
  Br  Br31  1  0.816  0.629  0.165  1.0
  Br  Br32  1  0.322  0.084  0.335  1.0
  Br  Br33  1  0.276  0.098  0.668  1.0
  Br  Br34  1  0.638  0.585  0.815  1.0
  Br  Br35  1  0.737  0.901  0.332  1.0
  Br  Br36  1  0.148  0.359  0.159  1.0
  O  O37  1  0.207  0.825  0.652  1.0
  O  O38  1  0.761  0.306  0.840  1.0
  O  O39  1  0.780  0.183  0.355  1.0
  O  O40  1  0.265  0.682  0.184  1.0
  O  O41  1  0.215  0.699  0.808  1.0
  O  O42  1  0.776  0.191  0.684  1.0
  O  O43  1  0.747  0.346  0.168  1.0
  O  O44  1  0.260  0.824  0.323  1.0
[/CIF]
.
The material described by K4MgZn4H16(O2Br3)4 crystallizes in the triclinic P1 space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one O(4), one O(5), one Br(11), one Br(2), one Br(4), one Br(6), and one Br(7) atom. In the second K site, K(2) is bonded in a 8-coordinate geometry to one Zn(4), one O(3), one O(6), one Br(1), one Br(12), one Br(3), one Br(5), and one Br(8) atom. In the third K site, K(3) is bonded in a 4-coordinate geometry to one O(2), one Br(2), one Br(8), and one Br(9) atom. In the fourth K site, K(4) is bonded in a 6-coordinate geometry to one O(1), one O(8), one Br(10), one Br(3), one Br(6), and one Br(7) atom. Mg(1) is bonded in a 4-coordinate geometry to one Zn(4), one O(7), one Br(1), and one Br(7) atom. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a tetrahedral geometry to one O(1), one Br(2), one Br(6), and one Br(9) atom. In the second Zn site, Zn(2) is bonded in a tetrahedral geometry to one O(2), one Br(1), one Br(10), and one Br(5) atom. In the third Zn site, Zn(3) is bonded in a tetrahedral geometry to one O(3), one Br(11), one Br(4), and one Br(8) atom. In the fourth Zn site, Zn(4) is bonded in a 3-coordinate geometry to one K(2), one Mg(1), one O(4), and one Br(3) atom. There are sixteen inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(2) atom. In the second H site, H(2) is bonded in a distorted linear geometry to one O(1) and one O(5) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(4) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(3) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(2) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(1) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(4) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one O(3) and one Br(9) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one O(6) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one O(5) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one O(8) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one O(7) and one Br(12) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one O(6) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one O(5) atom. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one O(8) atom. In the sixteenth H site, H(16) is bonded in a single-bond geometry to one O(7) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one K(4), one Zn(1), one H(2), and one H(6) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one K(3), one Zn(2), one H(1), and one H(5) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to one K(2), one Zn(3), one H(4), and one H(8) atom. In the fourth O site, O(4) is bonded in a distorted water-like geometry to one K(1), one Zn(4), one H(3), and one H(7) atom. In the fifth O site, O(5) is bonded in a distorted water-like geometry to one K(1), one H(10), one H(14), and one H(2) atom. In the sixth O site, O(6) is bonded in a water-like geometry to one K(2), one H(13), and one H(9) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one H(12), and one H(16) atom. In the eighth O site, O(8) is bonded in a distorted water-like geometry to one K(4), one H(11), and one H(15) atom. There are twelve inequivalent Br sites. In the first Br site, Br(1) is bonded in a 3-coordinate geometry to one K(2), one Mg(1), and one Zn(2) atom. In the second Br site, Br(2) is bonded in a 3-coordinate geometry to one K(1), one K(3), and one Zn(1) atom. In the third Br site, Br(3) is bonded in a 3-coordinate geometry to one K(2), one K(4), and one Zn(4) atom. In the fourth Br site, Br(4) is bonded in a single-bond geometry to one K(1) and one Zn(3) atom. In the fifth Br site, Br(5) is bonded in a distorted single-bond geometry to one K(2) and one Zn(2) atom. In the sixth Br site, Br(6) is bonded in a 3-coordinate geometry to one K(1), one K(4), and one Zn(1) atom. In the seventh Br site, Br(7) is bonded in a distorted single-bond geometry to one K(1), one K(4), and one Mg(1) atom. In the eighth Br site, Br(8) is bonded in a 1-coordinate geometry to one K(2), one K(3), and one Zn(3) atom. In the ninth Br site, Br(9) is bonded in a 3-coordinate geometry to one K(3), one Zn(1), and one H(8) atom. In the tenth Br site, Br(10) is bonded in a water-like geometry to one K(4) and one Zn(2) atom. In the eleventh Br site, Br(11) is bonded in a 2-coordinate geometry to one K(1) and one Zn(3) atom. In the twelfth Br site, Br(12) is bonded in a distorted water-like geometry to one K(2) and one H(12) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K4MgZn4H16(Br3O2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.597
_cell_length_b   13.165
_cell_length_c   13.810
_cell_angle_alpha   88.237
_cell_angle_beta   135.557
_cell_angle_gamma   89.706
_symmetry_Int_Tables_number   1
_cell_volume   965.936
_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
  K  K0  1  0.291  0.804  0.010  1.0
  K  K1  1  0.676  0.325  0.489  1.0
  K  K2  1  0.764  0.152  0.003  1.0
  K  K3  1  0.283  0.711  0.504  1.0
  Mg  Mg4  1  0.795  0.474  0.267  1.0
  Zn  Zn5  1  0.483  0.931  0.751  1.0
  Zn  Zn6  1  0.486  0.418  0.754  1.0
  Zn  Zn7  1  0.520  0.065  0.258  1.0
  Zn  Zn8  1  0.551  0.557  0.309  1.0
  H  H9  1  0.778  0.268  0.785  1.0
  H  H10  1  0.202  0.780  0.711  1.0
  H  H11  1  0.287  0.734  0.244  1.0
  H  H12  1  0.786  0.223  0.296  1.0
  H  H13  1  0.927  0.324  0.931  1.0
  H  H14  1  0.037  0.854  0.571  1.0
  H  H15  1  0.103  0.653  0.138  1.0
  H  H16  1  0.954  0.159  0.441  1.0
  H  H17  1  0.941  0.155  0.745  1.0
  H  H18  1  0.070  0.655  0.740  1.0
  H  H19  1  0.095  0.855  0.242  1.0
  H  H20  1  0.884  0.345  0.171  1.0
  H  H21  1  0.655  0.137  0.642  1.0
  H  H22  1  0.365  0.656  0.852  1.0
  H  H23  1  0.373  0.881  0.363  1.0
  H  H24  1  0.589  0.348  0.068  1.0
  Br  Br25  1  0.225  0.386  0.506  1.0
  Br  Br26  1  0.715  0.903  0.992  1.0
  Br  Br27  1  0.695  0.581  0.541  1.0
  Br  Br28  1  0.294  0.099  0.021  1.0
  Br  Br29  1  0.292  0.356  0.827  1.0
  Br  Br30  1  0.719  0.898  0.700  1.0
  Br  Br31  1  0.816  0.629  0.165  1.0
  Br  Br32  1  0.322  0.084  0.335  1.0
  Br  Br33  1  0.276  0.098  0.668  1.0
  Br  Br34  1  0.638  0.585  0.815  1.0
  Br  Br35  1  0.737  0.901  0.332  1.0
  Br  Br36  1  0.148  0.359  0.159  1.0
  O  O37  1  0.207  0.825  0.652  1.0
  O  O38  1  0.761  0.306  0.840  1.0
  O  O39  1  0.780  0.183  0.355  1.0
  O  O40  1  0.265  0.682  0.184  1.0
  O  O41  1  0.215  0.699  0.808  1.0
  O  O42  1  0.776  0.191  0.684  1.0
  O  O43  1  0.747  0.346  0.168  1.0
  O  O44  1  0.260  0.824  0.323  1.0
[/CIF]
.