The crystal 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 6-coordinate geometry to one O(3), one Br(12), one Br(3), one Br(5), and two equivalent Br(1) atoms. 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 7-coordinate geometry to one O(1), one O(8), one Br(1), one Br(6), one Br(7), and two equivalent Br(3) atoms. Mg(1) is bonded in a 4-coordinate geometry to one H(8), one O(6), one Br(8), and one Br(9) 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 single-bond geometry to one O(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to one O(4) and one O(8) 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 Mg(1) and 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 water-like 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 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 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 2-coordinate 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 water-like geometry to one K(1), one H(10), and one H(14) atom. In the sixth O site, O(6) is bonded in a distorted water-like geometry to one Mg(1), 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 distorted water-like geometry to one K(4), one H(11), one H(15), and one H(3) atom. There are twelve inequivalent Br sites. In the first Br site, Br(1) is bonded in a 4-coordinate geometry to one K(4), two equivalent K(2), 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), two equivalent K(4), and one Zn(4) atom. In the fourth Br site, Br(4) is bonded in a 4-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 L-shaped geometry to one K(2), one K(3), and one Zn(2) atom. In the sixth Br site, Br(6) is bonded in a distorted single-bond 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 Zn(4) atom. In the eighth Br site, Br(8) is bonded in a distorted trigonal planar geometry to one K(3), one Mg(1), and one Zn(3) atom. In the ninth Br site, Br(9) is bonded in a 3-coordinate geometry to one K(3), one Mg(1), and one Zn(1) atom. In the tenth Br site, Br(10) is bonded in a single-bond geometry to one Zn(2) atom. In the eleventh Br site, Br(11) is bonded in a distorted single-bond geometry to one K(1) 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 CIF file [CIF]
data_K4MgZn4H16(Br3O2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.888
_cell_length_b   12.909
_cell_length_c   14.047
_cell_angle_alpha   91.454
_cell_angle_beta   130.231
_cell_angle_gamma   88.984
_symmetry_Int_Tables_number   1
_cell_volume   953.307
_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  0.277  0.821  0.002  1.0
  K  K1  1  0.781  0.360  0.485  1.0
  K  K2  1  0.734  0.170  0.010  1.0
  K  K3  1  0.248  0.689  0.483  1.0
  Mg  Mg4  1  0.368  0.167  0.530  1.0
  Zn  Zn5  1  0.476  0.921  0.759  1.0
  Zn  Zn6  1  0.540  0.436  0.769  1.0
  Zn  Zn7  1  0.512  0.064  0.240  1.0
  Zn  Zn8  1  0.476  0.577  0.239  1.0
  H  H9  1  0.833  0.267  0.817  1.0
  H  H10  1  0.171  0.765  0.702  1.0
  H  H11  1  0.180  0.733  0.200  1.0
  H  H12  1  0.727  0.238  0.263  1.0
  H  H13  1  0.988  0.343  0.936  1.0
  H  H14  1  0.021  0.840  0.585  1.0
  H  H15  1  0.027  0.661  0.075  1.0
  H  H16  1  0.925  0.179  0.390  1.0
  H  H17  1  0.937  0.167  0.710  1.0
  H  H18  1  0.081  0.636  0.783  1.0
  H  H19  1  0.063  0.854  0.274  1.0
  H  H20  1  0.923  0.350  0.221  1.0
  H  H21  1  0.807  0.094  0.738  1.0
  H  H22  1  0.365  0.650  0.844  1.0
  H  H23  1  0.344  0.860  0.331  1.0
  H  H24  1  0.634  0.372  0.138  1.0
  Br  Br25  1  0.356  0.434  0.553  1.0
  Br  Br26  1  0.721  0.884  0.975  1.0
  Br  Br27  1  0.712  0.614  0.459  1.0
  Br  Br28  1  0.279  0.086  0.018  1.0
  Br  Br29  1  0.250  0.392  0.803  1.0
  Br  Br30  1  0.707  0.902  0.685  1.0
  Br  Br31  1  0.724  0.601  0.176  1.0
  Br  Br32  1  0.231  0.077  0.286  1.0
  Br  Br33  1  0.275  0.090  0.714  1.0
  Br  Br34  1  0.741  0.603  0.853  1.0
  Br  Br35  1  0.740  0.900  0.322  1.0
  Br  Br36  1  0.269  0.409  0.174  1.0
  O  O37  1  0.189  0.811  0.651  1.0
  O  O38  1  0.818  0.317  0.867  1.0
  O  O39  1  0.734  0.195  0.323  1.0
  O  O40  1  0.196  0.689  0.145  1.0
  O  O41  1  0.209  0.689  0.811  1.0
  O  O42  1  0.793  0.165  0.710  1.0
  O  O43  1  0.758  0.315  0.172  1.0
  O  O44  1  0.211  0.810  0.306  1.0
[/CIF]
.
The crystal 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 6-coordinate geometry to one O(3), one Br(12), one Br(3), one Br(5), and two equivalent Br(1) atoms. 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 7-coordinate geometry to one O(1), one O(8), one Br(1), one Br(6), one Br(7), and two equivalent Br(3) atoms. Mg(1) is bonded in a 4-coordinate geometry to one H(8), one O(6), one Br(8), and one Br(9) 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 single-bond geometry to one O(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to one O(4) and one O(8) 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 Mg(1) and 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 water-like 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 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 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 2-coordinate 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 water-like geometry to one K(1), one H(10), and one H(14) atom. In the sixth O site, O(6) is bonded in a distorted water-like geometry to one Mg(1), 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 distorted water-like geometry to one K(4), one H(11), one H(15), and one H(3) atom. There are twelve inequivalent Br sites. In the first Br site, Br(1) is bonded in a 4-coordinate geometry to one K(4), two equivalent K(2), 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), two equivalent K(4), and one Zn(4) atom. In the fourth Br site, Br(4) is bonded in a 4-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 L-shaped geometry to one K(2), one K(3), and one Zn(2) atom. In the sixth Br site, Br(6) is bonded in a distorted single-bond 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 Zn(4) atom. In the eighth Br site, Br(8) is bonded in a distorted trigonal planar geometry to one K(3), one Mg(1), and one Zn(3) atom. In the ninth Br site, Br(9) is bonded in a 3-coordinate geometry to one K(3), one Mg(1), and one Zn(1) atom. In the tenth Br site, Br(10) is bonded in a single-bond geometry to one Zn(2) atom. In the eleventh Br site, Br(11) is bonded in a distorted single-bond geometry to one K(1) 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 CIF file [CIF]
data_K4MgZn4H16(Br3O2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.888
_cell_length_b   12.909
_cell_length_c   14.047
_cell_angle_alpha   91.454
_cell_angle_beta   130.231
_cell_angle_gamma   88.984
_symmetry_Int_Tables_number   1
_cell_volume   953.307
_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  0.277  0.821  0.002  1.0
  K  K1  1  0.781  0.360  0.485  1.0
  K  K2  1  0.734  0.170  0.010  1.0
  K  K3  1  0.248  0.689  0.483  1.0
  Mg  Mg4  1  0.368  0.167  0.530  1.0
  Zn  Zn5  1  0.476  0.921  0.759  1.0
  Zn  Zn6  1  0.540  0.436  0.769  1.0
  Zn  Zn7  1  0.512  0.064  0.240  1.0
  Zn  Zn8  1  0.476  0.577  0.239  1.0
  H  H9  1  0.833  0.267  0.817  1.0
  H  H10  1  0.171  0.765  0.702  1.0
  H  H11  1  0.180  0.733  0.200  1.0
  H  H12  1  0.727  0.238  0.263  1.0
  H  H13  1  0.988  0.343  0.936  1.0
  H  H14  1  0.021  0.840  0.585  1.0
  H  H15  1  0.027  0.661  0.075  1.0
  H  H16  1  0.925  0.179  0.390  1.0
  H  H17  1  0.937  0.167  0.710  1.0
  H  H18  1  0.081  0.636  0.783  1.0
  H  H19  1  0.063  0.854  0.274  1.0
  H  H20  1  0.923  0.350  0.221  1.0
  H  H21  1  0.807  0.094  0.738  1.0
  H  H22  1  0.365  0.650  0.844  1.0
  H  H23  1  0.344  0.860  0.331  1.0
  H  H24  1  0.634  0.372  0.138  1.0
  Br  Br25  1  0.356  0.434  0.553  1.0
  Br  Br26  1  0.721  0.884  0.975  1.0
  Br  Br27  1  0.712  0.614  0.459  1.0
  Br  Br28  1  0.279  0.086  0.018  1.0
  Br  Br29  1  0.250  0.392  0.803  1.0
  Br  Br30  1  0.707  0.902  0.685  1.0
  Br  Br31  1  0.724  0.601  0.176  1.0
  Br  Br32  1  0.231  0.077  0.286  1.0
  Br  Br33  1  0.275  0.090  0.714  1.0
  Br  Br34  1  0.741  0.603  0.853  1.0
  Br  Br35  1  0.740  0.900  0.322  1.0
  Br  Br36  1  0.269  0.409  0.174  1.0
  O  O37  1  0.189  0.811  0.651  1.0
  O  O38  1  0.818  0.317  0.867  1.0
  O  O39  1  0.734  0.195  0.323  1.0
  O  O40  1  0.196  0.689  0.145  1.0
  O  O41  1  0.209  0.689  0.811  1.0
  O  O42  1  0.793  0.165  0.710  1.0
  O  O43  1  0.758  0.315  0.172  1.0
  O  O44  1  0.211  0.810  0.306  1.0
[/CIF]
.