The structure 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 8-coordinate geometry to one O(4), one O(5), one Br(11), one Br(4), one Br(6), one Br(7), and two equivalent Br(2) atoms. In the second K site, K(2) is bonded in a 7-coordinate geometry to 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 8-coordinate geometry to one O(2), one O(7), one Br(2), one Br(5), one Br(8), one Br(9), and two equivalent Br(4) atoms. In the fourth K site, K(4) is bonded in a 5-coordinate geometry to one O(8), one Br(1), one Br(11), one Br(3), and one Br(7) atom. Mg(1) is bonded in a 3-coordinate geometry to one Br(10), one Br(3), and one Br(6) 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 tetrahedral geometry to one O(4), one Br(12), one Br(3), and one Br(7) atom. There are sixteen inequivalent H sites. In the first H site, H(1) is bonded in a distorted 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 distorted 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) 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) 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 distorted trigonal non-coplanar geometry to one Zn(1), one H(2), and one H(6) atom. In the second O site, O(2) is bonded in a distorted water-like 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 2-coordinate 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 distorted 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 water-like geometry to one K(3), one H(12), and one H(16) atom. In the eighth O site, O(8) is bonded in a 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 distorted trigonal non-coplanar geometry to one K(2), one K(4), and one Zn(2) atom. In the second Br site, Br(2) is bonded in a 4-coordinate geometry to one K(3), two equivalent K(1), and one Zn(1) atom. In the third Br site, Br(3) is bonded in a 4-coordinate geometry to one K(2), one K(4), one Mg(1), and one Zn(4) atom. In the fourth Br site, Br(4) is bonded in a 1-coordinate geometry to one K(1), two equivalent K(3), and one Zn(3) atom. In the fifth Br site, Br(5) is bonded in a distorted single-bond geometry to one K(2), one K(3), and one Zn(2) atom. In the sixth Br site, Br(6) is bonded in a 3-coordinate geometry to one K(1), one Mg(1), and one Zn(1) atom. In the seventh Br site, Br(7) is bonded in a 3-coordinate geometry to one K(1), one K(4), and one Zn(4) atom. In the eighth Br site, Br(8) is bonded in a distorted single-bond geometry to one K(2), one K(3), and one Zn(3) atom. In the ninth Br site, Br(9) is bonded in a distorted single-bond geometry to one K(3) and one Zn(1) atom. In the tenth Br site, Br(10) is bonded in a distorted water-like geometry to one Mg(1) and one Zn(2) atom. In the eleventh Br site, Br(11) is bonded in a distorted single-bond geometry to one K(1), one K(4), and one Zn(3) atom. In the twelfth Br site, Br(12) is bonded in a distorted single-bond geometry to one K(2) and one Zn(4) 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   7.044
_cell_length_b   12.732
_cell_length_c   13.811
_cell_angle_alpha   89.282
_cell_angle_beta   128.788
_cell_angle_gamma   88.641
_symmetry_Int_Tables_number   1
_cell_volume   964.718
_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  0.282  0.830  0.002  1.0
  K  K1  1  0.711  0.326  0.500  1.0
  K  K2  1  0.733  0.169  0.009  1.0
  K  K3  1  0.074  0.671  0.419  1.0
  Mg  Mg4  1  0.712  0.689  0.658  1.0
  Zn  Zn5  1  0.483  0.946  0.750  1.0
  Zn  Zn6  1  0.506  0.421  0.767  1.0
  Zn  Zn7  1  0.524  0.071  0.265  1.0
  Zn  Zn8  1  0.426  0.555  0.208  1.0
  H  H9  1  0.805  0.266  0.799  1.0
  H  H10  1  0.240  0.781  0.718  1.0
  H  H11  1  0.165  0.725  0.188  1.0
  H  H12  1  0.817  0.222  0.298  1.0
  H  H13  1  0.947  0.335  0.922  1.0
  H  H14  1  0.062  0.858  0.597  1.0
  H  H15  1  0.004  0.658  0.064  1.0
  H  H16  1  0.967  0.148  0.423  1.0
  H  H17  1  0.963  0.172  0.727  1.0
  H  H18  1  0.179  0.650  0.795  1.0
  H  H19  1  0.103  0.870  0.266  1.0
  H  H20  1  0.917  0.347  0.212  1.0
  H  H21  1  0.710  0.134  0.676  1.0
  H  H22  1  0.456  0.667  0.866  1.0
  H  H23  1  0.370  0.827  0.342  1.0
  H  H24  1  0.643  0.349  0.154  1.0
  Br  Br25  1  0.298  0.417  0.547  1.0
  Br  Br26  1  0.710  0.908  0.971  1.0
  Br  Br27  1  0.639  0.586  0.426  1.0
  Br  Br28  1  0.310  0.096  0.046  1.0
  Br  Br29  1  0.252  0.388  0.822  1.0
  Br  Br30  1  0.764  0.936  0.705  1.0
  Br  Br31  1  0.658  0.590  0.138  1.0
  Br  Br32  1  0.277  0.108  0.326  1.0
  Br  Br33  1  0.253  0.111  0.675  1.0
  Br  Br34  1  0.752  0.576  0.869  1.0
  Br  Br35  1  0.713  0.894  0.339  1.0
  Br  Br36  1  0.255  0.384  0.160  1.0
  O  O37  1  0.230  0.829  0.656  1.0
  O  O38  1  0.789  0.305  0.857  1.0
  O  O39  1  0.804  0.179  0.356  1.0
  O  O40  1  0.169  0.683  0.128  1.0
  O  O41  1  0.300  0.706  0.831  1.0
  O  O42  1  0.800  0.199  0.695  1.0
  O  O43  1  0.784  0.301  0.188  1.0
  O  O44  1  0.202  0.804  0.299  1.0
[/CIF]
.
The structure 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 8-coordinate geometry to one O(4), one O(5), one Br(11), one Br(4), one Br(6), one Br(7), and two equivalent Br(2) atoms. In the second K site, K(2) is bonded in a 7-coordinate geometry to 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 8-coordinate geometry to one O(2), one O(7), one Br(2), one Br(5), one Br(8), one Br(9), and two equivalent Br(4) atoms. In the fourth K site, K(4) is bonded in a 5-coordinate geometry to one O(8), one Br(1), one Br(11), one Br(3), and one Br(7) atom. Mg(1) is bonded in a 3-coordinate geometry to one Br(10), one Br(3), and one Br(6) 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 tetrahedral geometry to one O(4), one Br(12), one Br(3), and one Br(7) atom. There are sixteen inequivalent H sites. In the first H site, H(1) is bonded in a distorted 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 distorted 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) 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) 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 distorted trigonal non-coplanar geometry to one Zn(1), one H(2), and one H(6) atom. In the second O site, O(2) is bonded in a distorted water-like 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 2-coordinate 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 distorted 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 water-like geometry to one K(3), one H(12), and one H(16) atom. In the eighth O site, O(8) is bonded in a 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 distorted trigonal non-coplanar geometry to one K(2), one K(4), and one Zn(2) atom. In the second Br site, Br(2) is bonded in a 4-coordinate geometry to one K(3), two equivalent K(1), and one Zn(1) atom. In the third Br site, Br(3) is bonded in a 4-coordinate geometry to one K(2), one K(4), one Mg(1), and one Zn(4) atom. In the fourth Br site, Br(4) is bonded in a 1-coordinate geometry to one K(1), two equivalent K(3), and one Zn(3) atom. In the fifth Br site, Br(5) is bonded in a distorted single-bond geometry to one K(2), one K(3), and one Zn(2) atom. In the sixth Br site, Br(6) is bonded in a 3-coordinate geometry to one K(1), one Mg(1), and one Zn(1) atom. In the seventh Br site, Br(7) is bonded in a 3-coordinate geometry to one K(1), one K(4), and one Zn(4) atom. In the eighth Br site, Br(8) is bonded in a distorted single-bond geometry to one K(2), one K(3), and one Zn(3) atom. In the ninth Br site, Br(9) is bonded in a distorted single-bond geometry to one K(3) and one Zn(1) atom. In the tenth Br site, Br(10) is bonded in a distorted water-like geometry to one Mg(1) and one Zn(2) atom. In the eleventh Br site, Br(11) is bonded in a distorted single-bond geometry to one K(1), one K(4), and one Zn(3) atom. In the twelfth Br site, Br(12) is bonded in a distorted single-bond geometry to one K(2) and one Zn(4) 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   7.044
_cell_length_b   12.732
_cell_length_c   13.811
_cell_angle_alpha   89.282
_cell_angle_beta   128.788
_cell_angle_gamma   88.641
_symmetry_Int_Tables_number   1
_cell_volume   964.718
_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  0.282  0.830  0.002  1.0
  K  K1  1  0.711  0.326  0.500  1.0
  K  K2  1  0.733  0.169  0.009  1.0
  K  K3  1  0.074  0.671  0.419  1.0
  Mg  Mg4  1  0.712  0.689  0.658  1.0
  Zn  Zn5  1  0.483  0.946  0.750  1.0
  Zn  Zn6  1  0.506  0.421  0.767  1.0
  Zn  Zn7  1  0.524  0.071  0.265  1.0
  Zn  Zn8  1  0.426  0.555  0.208  1.0
  H  H9  1  0.805  0.266  0.799  1.0
  H  H10  1  0.240  0.781  0.718  1.0
  H  H11  1  0.165  0.725  0.188  1.0
  H  H12  1  0.817  0.222  0.298  1.0
  H  H13  1  0.947  0.335  0.922  1.0
  H  H14  1  0.062  0.858  0.597  1.0
  H  H15  1  0.004  0.658  0.064  1.0
  H  H16  1  0.967  0.148  0.423  1.0
  H  H17  1  0.963  0.172  0.727  1.0
  H  H18  1  0.179  0.650  0.795  1.0
  H  H19  1  0.103  0.870  0.266  1.0
  H  H20  1  0.917  0.347  0.212  1.0
  H  H21  1  0.710  0.134  0.676  1.0
  H  H22  1  0.456  0.667  0.866  1.0
  H  H23  1  0.370  0.827  0.342  1.0
  H  H24  1  0.643  0.349  0.154  1.0
  Br  Br25  1  0.298  0.417  0.547  1.0
  Br  Br26  1  0.710  0.908  0.971  1.0
  Br  Br27  1  0.639  0.586  0.426  1.0
  Br  Br28  1  0.310  0.096  0.046  1.0
  Br  Br29  1  0.252  0.388  0.822  1.0
  Br  Br30  1  0.764  0.936  0.705  1.0
  Br  Br31  1  0.658  0.590  0.138  1.0
  Br  Br32  1  0.277  0.108  0.326  1.0
  Br  Br33  1  0.253  0.111  0.675  1.0
  Br  Br34  1  0.752  0.576  0.869  1.0
  Br  Br35  1  0.713  0.894  0.339  1.0
  Br  Br36  1  0.255  0.384  0.160  1.0
  O  O37  1  0.230  0.829  0.656  1.0
  O  O38  1  0.789  0.305  0.857  1.0
  O  O39  1  0.804  0.179  0.356  1.0
  O  O40  1  0.169  0.683  0.128  1.0
  O  O41  1  0.300  0.706  0.831  1.0
  O  O42  1  0.800  0.199  0.695  1.0
  O  O43  1  0.784  0.301  0.188  1.0
  O  O44  1  0.202  0.804  0.299  1.0
[/CIF]
.