The compound described by KMnH4O2Cl3 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(6,8); one Cl(1,3); one Cl(5,7); one Cl(6); and two equivalent Cl(10,12) atoms. In the second K site, K(2) is bonded in a 7-coordinate geometry to one O(1,3); one O(5); one Cl(2,4); one Cl(5,7); one Cl(6); and two equivalent Cl(9,11) atoms. In the third K site, K(3) is bonded in a 7-coordinate geometry to one O(2); one O(6,8); one Cl(1,3); one Cl(5,7); one Cl(8); and two equivalent Cl(10,12) atoms. In the fourth K site, K(4) is bonded in a 7-coordinate geometry to one O(1,3); one O(7); one Cl(2,4); one Cl(5,7); one Cl(8); and two equivalent Cl(9,11) atoms. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1,3); one O(6,8); one Cl(1,3); one Cl(2,4); one Cl(5,7); and one Cl(9,11) atom to form edge-sharing MnCl4O2 octahedra. In the second Mn site, Mn(2) is bonded to one O(2); one O(7); one Cl(1,3); one Cl(10,12); one Cl(2,4); and one Cl(8) atom to form edge-sharing MnCl4O2 octahedra. In the third Mn site, Mn(3) is bonded to one O(4); one O(5); one Cl(1,3); one Cl(10,12); one Cl(2,4); and one Cl(6) atom to form edge-sharing MnCl4O2 octahedra. In the fourth Mn site, Mn(4) is bonded to one O(1,3); one O(6,8); one Cl(1,3); one Cl(2,4); one Cl(5,7); and one Cl(9,11) atom to form edge-sharing MnCl4O2 octahedra. There are fourteen inequivalent H sites. In the first H site, H(1,3) is bonded in a single-bond geometry to one O(1,3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. In the third H site, H(4) is bonded in a single-bond geometry to one O(4) atom. In the fourth H site, H(5,7) is bonded in a single-bond geometry to one O(1,3) atom. In the fifth H site, H(6) is bonded in a single-bond geometry to one O(2) atom. In the sixth H site, H(8) is bonded in a single-bond geometry to one O(4) atom. In the seventh H site, H(9) is bonded in a single-bond geometry to one O(5) atom. In the eighth H site, H(10) is bonded in a single-bond geometry to one O(6,8) atom. In the ninth H site, H(11) is bonded in a single-bond geometry to one O(7) atom. In the tenth H site, H(12) is bonded in a single-bond geometry to one O(6,8) atom. In the eleventh H site, H(13) is bonded in a single-bond geometry to one O(5) atom. In the twelfth H site, H(14) is bonded in a single-bond geometry to one O(6,8) atom. In the thirteenth H site, H(15) is bonded in a single-bond geometry to one O(7) atom. In the fourteenth H site, H(16) is bonded in a single-bond geometry to one O(6,8) atom. There are six inequivalent O sites. In the first O site, O(1,3) is bonded in a distorted water-like geometry to one K(4); one Mn(4); one H(1,3); and one H(5,7) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one K(3), one Mn(2), one H(2), and one H(6) atom. In the third O site, O(4) is bonded in a distorted water-like geometry to one K(1), one Mn(3), one H(4), and one H(8) atom. In the fourth O site, O(5) is bonded in a distorted water-like geometry to one K(2), one Mn(3), one H(13), and one H(9) atom. In the fifth O site, O(6,8) is bonded in a distorted water-like geometry to one K(1), one Mn(1), one H(10), and one H(14) atom. In the sixth O site, O(7) is bonded in a distorted water-like geometry to one K(4), one Mn(2), one H(11), and one H(15) atom. There are seven inequivalent Cl sites. In the first Cl site, Cl(1,3) is bonded in a 3-coordinate geometry to one K(1), one Mn(1), and one Mn(2) atom. In the second Cl site, Cl(2,4) is bonded in a 3-coordinate geometry to one K(2), one Mn(3), and one Mn(4) atom. In the third Cl site, Cl(5,7) is bonded in a 3-coordinate geometry to one K(1), one K(2), and one Mn(1) atom. In the fourth Cl site, Cl(6) is bonded in a 3-coordinate geometry to one K(1), one K(2), and one Mn(3) atom. In the fifth Cl site, Cl(8) is bonded in a 3-coordinate geometry to one K(3), one K(4), and one Mn(2) atom. In the sixth Cl site, Cl(9,11) is bonded in a 3-coordinate geometry to one K(2), one K(4), and one Mn(1) atom. In the seventh Cl site, Cl(10,12) is bonded in a 3-coordinate geometry to one K(1), one K(3), and one Mn(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KMnH4Cl3O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.464
_cell_length_b   7.129
_cell_length_c   9.403
_cell_angle_alpha   68.286
_cell_angle_beta   89.123
_cell_angle_gamma   67.870
_symmetry_Int_Tables_number   1
_cell_volume   368.988
_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
  Cl  Cl0  1  0.246  0.204  0.492  1.0
  Cl  Cl1  1  0.754  0.796  0.508  1.0
  Cl  Cl2  1  0.556  0.700  0.194  1.0
  Cl  Cl3  1  0.444  0.300  0.806  1.0
  Cl  Cl4  1  0.997  0.152  0.165  1.0
  Cl  Cl5  1  0.004  0.848  0.835  1.0
  H  H6  1  0.902  0.231  0.505  1.0
  H  H7  1  0.098  0.769  0.495  1.0
  H  H8  1  0.661  0.403  0.416  1.0
  H  H9  1  0.339  0.597  0.584  1.0
  H  H10  1  0.457  0.246  0.053  1.0
  H  H11  1  0.543  0.754  0.947  1.0
  H  H12  1  0.632  0.210  0.183  1.0
  H  H13  1  0.368  0.790  0.817  1.0
  K  K14  1  0.079  0.646  0.196  1.0
  K  K15  1  0.921  0.354  0.804  1.0
  Mn  Mn16  1  0.378  0.966  0.326  1.0
  Mn  Mn17  1  0.622  0.034  0.674  1.0
  O  O18  1  0.740  0.280  0.516  1.0
  O  O19  1  0.260  0.720  0.484  1.0
  O  O20  1  0.475  0.229  0.162  1.0
  O  O21  1  0.525  0.771  0.838  1.0
[/CIF]
.
The compound described by KMnH4O2Cl3 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(6,8); one Cl(1,3); one Cl(5,7); one Cl(6); and two equivalent Cl(10,12) atoms. In the second K site, K(2) is bonded in a 7-coordinate geometry to one O(1,3); one O(5); one Cl(2,4); one Cl(5,7); one Cl(6); and two equivalent Cl(9,11) atoms. In the third K site, K(3) is bonded in a 7-coordinate geometry to one O(2); one O(6,8); one Cl(1,3); one Cl(5,7); one Cl(8); and two equivalent Cl(10,12) atoms. In the fourth K site, K(4) is bonded in a 7-coordinate geometry to one O(1,3); one O(7); one Cl(2,4); one Cl(5,7); one Cl(8); and two equivalent Cl(9,11) atoms. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1,3); one O(6,8); one Cl(1,3); one Cl(2,4); one Cl(5,7); and one Cl(9,11) atom to form edge-sharing MnCl4O2 octahedra. In the second Mn site, Mn(2) is bonded to one O(2); one O(7); one Cl(1,3); one Cl(10,12); one Cl(2,4); and one Cl(8) atom to form edge-sharing MnCl4O2 octahedra. In the third Mn site, Mn(3) is bonded to one O(4); one O(5); one Cl(1,3); one Cl(10,12); one Cl(2,4); and one Cl(6) atom to form edge-sharing MnCl4O2 octahedra. In the fourth Mn site, Mn(4) is bonded to one O(1,3); one O(6,8); one Cl(1,3); one Cl(2,4); one Cl(5,7); and one Cl(9,11) atom to form edge-sharing MnCl4O2 octahedra. There are fourteen inequivalent H sites. In the first H site, H(1,3) is bonded in a single-bond geometry to one O(1,3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. In the third H site, H(4) is bonded in a single-bond geometry to one O(4) atom. In the fourth H site, H(5,7) is bonded in a single-bond geometry to one O(1,3) atom. In the fifth H site, H(6) is bonded in a single-bond geometry to one O(2) atom. In the sixth H site, H(8) is bonded in a single-bond geometry to one O(4) atom. In the seventh H site, H(9) is bonded in a single-bond geometry to one O(5) atom. In the eighth H site, H(10) is bonded in a single-bond geometry to one O(6,8) atom. In the ninth H site, H(11) is bonded in a single-bond geometry to one O(7) atom. In the tenth H site, H(12) is bonded in a single-bond geometry to one O(6,8) atom. In the eleventh H site, H(13) is bonded in a single-bond geometry to one O(5) atom. In the twelfth H site, H(14) is bonded in a single-bond geometry to one O(6,8) atom. In the thirteenth H site, H(15) is bonded in a single-bond geometry to one O(7) atom. In the fourteenth H site, H(16) is bonded in a single-bond geometry to one O(6,8) atom. There are six inequivalent O sites. In the first O site, O(1,3) is bonded in a distorted water-like geometry to one K(4); one Mn(4); one H(1,3); and one H(5,7) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one K(3), one Mn(2), one H(2), and one H(6) atom. In the third O site, O(4) is bonded in a distorted water-like geometry to one K(1), one Mn(3), one H(4), and one H(8) atom. In the fourth O site, O(5) is bonded in a distorted water-like geometry to one K(2), one Mn(3), one H(13), and one H(9) atom. In the fifth O site, O(6,8) is bonded in a distorted water-like geometry to one K(1), one Mn(1), one H(10), and one H(14) atom. In the sixth O site, O(7) is bonded in a distorted water-like geometry to one K(4), one Mn(2), one H(11), and one H(15) atom. There are seven inequivalent Cl sites. In the first Cl site, Cl(1,3) is bonded in a 3-coordinate geometry to one K(1), one Mn(1), and one Mn(2) atom. In the second Cl site, Cl(2,4) is bonded in a 3-coordinate geometry to one K(2), one Mn(3), and one Mn(4) atom. In the third Cl site, Cl(5,7) is bonded in a 3-coordinate geometry to one K(1), one K(2), and one Mn(1) atom. In the fourth Cl site, Cl(6) is bonded in a 3-coordinate geometry to one K(1), one K(2), and one Mn(3) atom. In the fifth Cl site, Cl(8) is bonded in a 3-coordinate geometry to one K(3), one K(4), and one Mn(2) atom. In the sixth Cl site, Cl(9,11) is bonded in a 3-coordinate geometry to one K(2), one K(4), and one Mn(1) atom. In the seventh Cl site, Cl(10,12) is bonded in a 3-coordinate geometry to one K(1), one K(3), and one Mn(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KMnH4Cl3O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.464
_cell_length_b   7.129
_cell_length_c   9.403
_cell_angle_alpha   68.286
_cell_angle_beta   89.123
_cell_angle_gamma   67.870
_symmetry_Int_Tables_number   1
_cell_volume   368.988
_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
  Cl  Cl0  1  0.246  0.204  0.492  1.0
  Cl  Cl1  1  0.754  0.796  0.508  1.0
  Cl  Cl2  1  0.556  0.700  0.194  1.0
  Cl  Cl3  1  0.444  0.300  0.806  1.0
  Cl  Cl4  1  0.997  0.152  0.165  1.0
  Cl  Cl5  1  0.004  0.848  0.835  1.0
  H  H6  1  0.902  0.231  0.505  1.0
  H  H7  1  0.098  0.769  0.495  1.0
  H  H8  1  0.661  0.403  0.416  1.0
  H  H9  1  0.339  0.597  0.584  1.0
  H  H10  1  0.457  0.246  0.053  1.0
  H  H11  1  0.543  0.754  0.947  1.0
  H  H12  1  0.632  0.210  0.183  1.0
  H  H13  1  0.368  0.790  0.817  1.0
  K  K14  1  0.079  0.646  0.196  1.0
  K  K15  1  0.921  0.354  0.804  1.0
  Mn  Mn16  1  0.378  0.966  0.326  1.0
  Mn  Mn17  1  0.622  0.034  0.674  1.0
  O  O18  1  0.740  0.280  0.516  1.0
  O  O19  1  0.260  0.720  0.484  1.0
  O  O20  1  0.475  0.229  0.162  1.0
  O  O21  1  0.525  0.771  0.838  1.0
[/CIF]
.