The material structure described by Cs4MgMn4H16(O2Cl3)4 crystallizes in the monoclinic P2 space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 8-coordinate geometry to one Mg(1), one H(2), one O(2), one Cl(1), one Cl(5), one Cl(6), and two equivalent Cl(4) atoms. In the second Cs site, Cs(2) is bonded in a 5-coordinate geometry to one Cl(3), two equivalent Cl(5), and two equivalent Cl(6) atoms. Mg(1) is bonded in a distorted L-shaped geometry to two equivalent Cs(1) and two equivalent O(1) atoms. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent Cl(1), and two equivalent Cl(3) atoms to form corner-sharing MnCl4O2 octahedra. The corner-sharing octahedral tilt angles are 51°. In the second Mn site, Mn(2) is bonded to two equivalent O(2), two equivalent Cl(1), and two equivalent Cl(4) atoms to form corner-sharing MnCl4O2 octahedra. The corner-sharing octahedral tilt angles are 51°. In the third Mn site, Mn(3) is bonded to two equivalent O(3), two equivalent Cl(2), and two equivalent Cl(5) atoms to form corner-sharing MnCl4O2 octahedra. The corner-sharing octahedral tilt angles are 52°. In the fourth Mn site, Mn(4) is bonded to two equivalent O(4), two equivalent Cl(2), and two equivalent Cl(6) atoms to form corner-sharing MnCl4O2 octahedra. The corner-sharing octahedral tilt angles are 52°. There are eight inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one Cs(1) and one O(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(4) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(1) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(2) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(3) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one Mg(1), one Mn(1), one H(1), and one H(5) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one Cs(1), one Mn(2), one H(2), and one H(6) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Mn(3), one H(3), and one H(7) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Mn(4), one H(4), and one H(8) atom. There are six inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one Mn(1), and one Mn(2) atom. In the second Cl site, Cl(2) is bonded in a distorted bent 120 degrees geometry to one Mn(3) and one Mn(4) atom. In the third Cl site, Cl(3) is bonded in a distorted single-bond geometry to one Cs(2) and one Mn(1) atom. In the fourth Cl site, Cl(4) is bonded in a 1-coordinate geometry to two equivalent Cs(1) and one Mn(2) atom. In the fifth Cl site, Cl(5) is bonded in a distorted single-bond geometry to one Cs(1), two equivalent Cs(2), and one Mn(3) atom. In the sixth Cl site, Cl(6) is bonded in a distorted single-bond geometry to one Cs(1), two equivalent Cs(2), and one Mn(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs4MgMn4H16(Cl3O2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.059
_cell_length_b   9.121
_cell_length_c   11.781
_cell_angle_alpha   91.720
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   865.558
_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
  Cs  Cs0  1  0.040  0.683  0.383  1.0
  Cs  Cs1  1  0.040  0.317  0.117  1.0
  Cs  Cs2  1  0.003  0.237  0.650  1.0
  Cs  Cs3  1  0.003  0.763  0.850  1.0
  Mg  Mg4  1  0.870  0.000  0.250  1.0
  Mn  Mn5  1  0.435  0.000  0.250  1.0
  Mn  Mn6  1  0.523  0.500  0.250  1.0
  Mn  Mn7  1  0.533  0.000  0.750  1.0
  Mn  Mn8  1  0.489  0.500  0.750  1.0
  H  H9  1  0.668  0.980  0.058  1.0
  H  H10  1  0.332  0.529  0.049  1.0
  H  H11  1  0.332  0.471  0.451  1.0
  H  H12  1  0.668  0.020  0.442  1.0
  H  H13  1  0.323  0.026  0.942  1.0
  H  H14  1  0.685  0.479  0.948  1.0
  H  H15  1  0.685  0.521  0.552  1.0
  H  H16  1  0.323  0.974  0.558  1.0
  H  H17  1  0.670  0.823  0.114  1.0
  H  H18  1  0.313  0.680  0.118  1.0
  H  H19  1  0.313  0.320  0.382  1.0
  H  H20  1  0.670  0.177  0.386  1.0
  H  H21  1  0.320  0.180  0.882  1.0
  H  H22  1  0.693  0.324  0.883  1.0
  H  H23  1  0.693  0.676  0.617  1.0
  H  H24  1  0.320  0.820  0.618  1.0
  Cl  Cl25  1  0.481  0.753  0.344  1.0
  Cl  Cl26  1  0.481  0.247  0.156  1.0
  Cl  Cl27  1  0.517  0.247  0.656  1.0
  Cl  Cl28  1  0.517  0.753  0.844  1.0
  Cl  Cl29  1  0.251  0.906  0.093  1.0
  Cl  Cl30  1  0.744  0.590  0.111  1.0
  Cl  Cl31  1  0.744  0.410  0.389  1.0
  Cl  Cl32  1  0.251  0.094  0.407  1.0
  Cl  Cl33  1  0.758  0.090  0.894  1.0
  Cl  Cl34  1  0.255  0.418  0.884  1.0
  Cl  Cl35  1  0.255  0.582  0.616  1.0
  Cl  Cl36  1  0.758  0.910  0.606  1.0
  O  O37  1  0.656  0.930  0.131  1.0
  O  O38  1  0.324  0.572  0.127  1.0
  O  O39  1  0.324  0.428  0.373  1.0
  O  O40  1  0.656  0.070  0.369  1.0
  O  O41  1  0.327  0.073  0.867  1.0
  O  O42  1  0.686  0.431  0.871  1.0
  O  O43  1  0.686  0.569  0.629  1.0
  O  O44  1  0.327  0.927  0.633  1.0
[/CIF]
.
The material structure described by Cs4MgMn4H16(O2Cl3)4 crystallizes in the monoclinic P2 space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 8-coordinate geometry to one Mg(1), one H(2), one O(2), one Cl(1), one Cl(5), one Cl(6), and two equivalent Cl(4) atoms. In the second Cs site, Cs(2) is bonded in a 5-coordinate geometry to one Cl(3), two equivalent Cl(5), and two equivalent Cl(6) atoms. Mg(1) is bonded in a distorted L-shaped geometry to two equivalent Cs(1) and two equivalent O(1) atoms. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent Cl(1), and two equivalent Cl(3) atoms to form corner-sharing MnCl4O2 octahedra. The corner-sharing octahedral tilt angles are 51°. In the second Mn site, Mn(2) is bonded to two equivalent O(2), two equivalent Cl(1), and two equivalent Cl(4) atoms to form corner-sharing MnCl4O2 octahedra. The corner-sharing octahedral tilt angles are 51°. In the third Mn site, Mn(3) is bonded to two equivalent O(3), two equivalent Cl(2), and two equivalent Cl(5) atoms to form corner-sharing MnCl4O2 octahedra. The corner-sharing octahedral tilt angles are 52°. In the fourth Mn site, Mn(4) is bonded to two equivalent O(4), two equivalent Cl(2), and two equivalent Cl(6) atoms to form corner-sharing MnCl4O2 octahedra. The corner-sharing octahedral tilt angles are 52°. There are eight inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one Cs(1) and one O(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(4) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(1) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(2) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(3) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one Mg(1), one Mn(1), one H(1), and one H(5) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one Cs(1), one Mn(2), one H(2), and one H(6) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Mn(3), one H(3), and one H(7) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Mn(4), one H(4), and one H(8) atom. There are six inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one Mn(1), and one Mn(2) atom. In the second Cl site, Cl(2) is bonded in a distorted bent 120 degrees geometry to one Mn(3) and one Mn(4) atom. In the third Cl site, Cl(3) is bonded in a distorted single-bond geometry to one Cs(2) and one Mn(1) atom. In the fourth Cl site, Cl(4) is bonded in a 1-coordinate geometry to two equivalent Cs(1) and one Mn(2) atom. In the fifth Cl site, Cl(5) is bonded in a distorted single-bond geometry to one Cs(1), two equivalent Cs(2), and one Mn(3) atom. In the sixth Cl site, Cl(6) is bonded in a distorted single-bond geometry to one Cs(1), two equivalent Cs(2), and one Mn(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs4MgMn4H16(Cl3O2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.059
_cell_length_b   9.121
_cell_length_c   11.781
_cell_angle_alpha   91.720
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   865.558
_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
  Cs  Cs0  1  0.040  0.683  0.383  1.0
  Cs  Cs1  1  0.040  0.317  0.117  1.0
  Cs  Cs2  1  0.003  0.237  0.650  1.0
  Cs  Cs3  1  0.003  0.763  0.850  1.0
  Mg  Mg4  1  0.870  0.000  0.250  1.0
  Mn  Mn5  1  0.435  0.000  0.250  1.0
  Mn  Mn6  1  0.523  0.500  0.250  1.0
  Mn  Mn7  1  0.533  0.000  0.750  1.0
  Mn  Mn8  1  0.489  0.500  0.750  1.0
  H  H9  1  0.668  0.980  0.058  1.0
  H  H10  1  0.332  0.529  0.049  1.0
  H  H11  1  0.332  0.471  0.451  1.0
  H  H12  1  0.668  0.020  0.442  1.0
  H  H13  1  0.323  0.026  0.942  1.0
  H  H14  1  0.685  0.479  0.948  1.0
  H  H15  1  0.685  0.521  0.552  1.0
  H  H16  1  0.323  0.974  0.558  1.0
  H  H17  1  0.670  0.823  0.114  1.0
  H  H18  1  0.313  0.680  0.118  1.0
  H  H19  1  0.313  0.320  0.382  1.0
  H  H20  1  0.670  0.177  0.386  1.0
  H  H21  1  0.320  0.180  0.882  1.0
  H  H22  1  0.693  0.324  0.883  1.0
  H  H23  1  0.693  0.676  0.617  1.0
  H  H24  1  0.320  0.820  0.618  1.0
  Cl  Cl25  1  0.481  0.753  0.344  1.0
  Cl  Cl26  1  0.481  0.247  0.156  1.0
  Cl  Cl27  1  0.517  0.247  0.656  1.0
  Cl  Cl28  1  0.517  0.753  0.844  1.0
  Cl  Cl29  1  0.251  0.906  0.093  1.0
  Cl  Cl30  1  0.744  0.590  0.111  1.0
  Cl  Cl31  1  0.744  0.410  0.389  1.0
  Cl  Cl32  1  0.251  0.094  0.407  1.0
  Cl  Cl33  1  0.758  0.090  0.894  1.0
  Cl  Cl34  1  0.255  0.418  0.884  1.0
  Cl  Cl35  1  0.255  0.582  0.616  1.0
  Cl  Cl36  1  0.758  0.910  0.606  1.0
  O  O37  1  0.656  0.930  0.131  1.0
  O  O38  1  0.324  0.572  0.127  1.0
  O  O39  1  0.324  0.428  0.373  1.0
  O  O40  1  0.656  0.070  0.369  1.0
  O  O41  1  0.327  0.073  0.867  1.0
  O  O42  1  0.686  0.431  0.871  1.0
  O  O43  1  0.686  0.569  0.629  1.0
  O  O44  1  0.327  0.927  0.633  1.0
[/CIF]
.