The material structure described by CsCl3Mg(H2O)6 is (Cubic) Perovskite structured and crystallizes in the triclinic P1 space group. The structure consists of two Mg(H2O)6 clusters inside a CsCl3 framework. In each Mg(H2O)6 cluster, Mg(1) is bonded in an octahedral geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are twelve 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 O(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(2) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(2) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(3) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(3) 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(4) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one O(5) 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(6) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1), one H(1), and one H(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one H(3), and one H(4) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one H(5), and one H(6) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one H(7), and one H(8) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mg(1), one H(10), and one H(9) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mg(1), one H(11), and one H(12) atom. In the CsCl3 framework, there are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded to one Cl(5), one Cl(6), two equivalent Cl(1), and two equivalent Cl(3) atoms to form corner-sharing CsCl6 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the second Cs site, Cs(2) is bonded to one Cl(5), one Cl(6), two equivalent Cl(2), and two equivalent Cl(4) atoms to form corner-sharing CsCl6 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. There are six inequivalent Cl sites. In the first Cl site, Cl(6) is bonded in a 2-coordinate geometry to one Cs(1) and one Cs(2) atom. In the second Cl site, Cl(5) is bonded in a 2-coordinate geometry to one Cs(1) and one Cs(2) atom. In the third Cl site, Cl(1) is bonded in a 2-coordinate geometry to two equivalent Cs(1) atoms. In the fourth Cl site, Cl(2) is bonded in a 2-coordinate geometry to two equivalent Cs(2) atoms. In the fifth Cl site, Cl(3) is bonded in a 2-coordinate geometry to two equivalent Cs(1) atoms. In the sixth Cl site, Cl(4) is bonded in a 2-coordinate geometry to two equivalent Cs(2) atoms. is represented by the CIF card [CIF]
data_CsMgH12(ClO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.832
_cell_length_b   6.866
_cell_length_c   13.707
_cell_angle_alpha   89.745
_cell_angle_beta   89.934
_cell_angle_gamma   89.407
_symmetry_Int_Tables_number   1
_cell_volume   642.958
_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
  Cs  Cs0  1  0.000  0.993  0.001  1.0
  Cs  Cs1  1  0.012  0.018  0.499  1.0
  Mg  Mg2  1  0.505  0.499  0.752  1.0
  Mg  Mg3  1  0.507  0.503  0.246  1.0
  H  H4  1  0.853  0.718  0.731  1.0
  H  H5  1  0.833  0.573  0.644  1.0
  H  H6  1  0.271  0.546  0.584  1.0
  H  H7  1  0.431  0.711  0.585  1.0
  H  H8  1  0.555  0.164  0.631  1.0
  H  H9  1  0.702  0.155  0.719  1.0
  H  H10  1  0.453  0.836  0.868  1.0
  H  H11  1  0.287  0.834  0.788  1.0
  H  H12  1  0.562  0.297  0.923  1.0
  H  H13  1  0.745  0.435  0.915  1.0
  H  H14  1  0.168  0.426  0.851  1.0
  H  H15  1  0.168  0.271  0.767  1.0
  H  H16  1  0.854  0.302  0.217  1.0
  H  H17  1  0.850  0.448  0.129  1.0
  H  H18  1  0.553  0.272  0.416  1.0
  H  H19  1  0.700  0.448  0.422  1.0
  H  H20  1  0.463  0.732  0.075  1.0
  H  H21  1  0.307  0.565  0.071  1.0
  H  H22  1  0.181  0.557  0.369  1.0
  H  H23  1  0.159  0.700  0.280  1.0
  H  H24  1  0.740  0.841  0.265  1.0
  H  H25  1  0.578  0.841  0.346  1.0
  H  H26  1  0.453  0.160  0.149  1.0
  H  H27  1  0.281  0.162  0.225  1.0
  Cl  Cl28  1  0.503  0.016  0.002  1.0
  Cl  Cl29  1  0.510  0.994  0.494  1.0
  Cl  Cl30  1  0.023  0.493  0.993  1.0
  Cl  Cl31  1  0.993  0.515  0.504  1.0
  Cl  Cl32  1  0.003  0.995  0.751  1.0
  Cl  Cl33  1  0.009  0.004  0.249  1.0
  O  O34  1  0.779  0.604  0.709  1.0
  O  O35  1  0.393  0.588  0.616  1.0
  O  O36  1  0.586  0.225  0.694  1.0
  O  O37  1  0.408  0.766  0.811  1.0
  O  O38  1  0.615  0.410  0.888  1.0
  O  O39  1  0.231  0.391  0.789  1.0
  O  O40  1  0.783  0.415  0.190  1.0
  O  O41  1  0.585  0.399  0.386  1.0
  O  O42  1  0.423  0.609  0.107  1.0
  O  O43  1  0.233  0.586  0.304  1.0
  O  O44  1  0.615  0.779  0.284  1.0
  O  O45  1  0.405  0.226  0.208  1.0
[/CIF]
.
The material structure described by CsCl3Mg(H2O)6 is (Cubic) Perovskite structured and crystallizes in the triclinic P1 space group. The structure consists of two Mg(H2O)6 clusters inside a CsCl3 framework. In each Mg(H2O)6 cluster, Mg(1) is bonded in an octahedral geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are twelve 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 O(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(2) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(2) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(3) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(3) 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(4) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one O(5) 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(6) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1), one H(1), and one H(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one H(3), and one H(4) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one H(5), and one H(6) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one H(7), and one H(8) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mg(1), one H(10), and one H(9) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mg(1), one H(11), and one H(12) atom. In the CsCl3 framework, there are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded to one Cl(5), one Cl(6), two equivalent Cl(1), and two equivalent Cl(3) atoms to form corner-sharing CsCl6 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the second Cs site, Cs(2) is bonded to one Cl(5), one Cl(6), two equivalent Cl(2), and two equivalent Cl(4) atoms to form corner-sharing CsCl6 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. There are six inequivalent Cl sites. In the first Cl site, Cl(6) is bonded in a 2-coordinate geometry to one Cs(1) and one Cs(2) atom. In the second Cl site, Cl(5) is bonded in a 2-coordinate geometry to one Cs(1) and one Cs(2) atom. In the third Cl site, Cl(1) is bonded in a 2-coordinate geometry to two equivalent Cs(1) atoms. In the fourth Cl site, Cl(2) is bonded in a 2-coordinate geometry to two equivalent Cs(2) atoms. In the fifth Cl site, Cl(3) is bonded in a 2-coordinate geometry to two equivalent Cs(1) atoms. In the sixth Cl site, Cl(4) is bonded in a 2-coordinate geometry to two equivalent Cs(2) atoms. is represented by the CIF card [CIF]
data_CsMgH12(ClO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.832
_cell_length_b   6.866
_cell_length_c   13.707
_cell_angle_alpha   89.745
_cell_angle_beta   89.934
_cell_angle_gamma   89.407
_symmetry_Int_Tables_number   1
_cell_volume   642.958
_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
  Cs  Cs0  1  0.000  0.993  0.001  1.0
  Cs  Cs1  1  0.012  0.018  0.499  1.0
  Mg  Mg2  1  0.505  0.499  0.752  1.0
  Mg  Mg3  1  0.507  0.503  0.246  1.0
  H  H4  1  0.853  0.718  0.731  1.0
  H  H5  1  0.833  0.573  0.644  1.0
  H  H6  1  0.271  0.546  0.584  1.0
  H  H7  1  0.431  0.711  0.585  1.0
  H  H8  1  0.555  0.164  0.631  1.0
  H  H9  1  0.702  0.155  0.719  1.0
  H  H10  1  0.453  0.836  0.868  1.0
  H  H11  1  0.287  0.834  0.788  1.0
  H  H12  1  0.562  0.297  0.923  1.0
  H  H13  1  0.745  0.435  0.915  1.0
  H  H14  1  0.168  0.426  0.851  1.0
  H  H15  1  0.168  0.271  0.767  1.0
  H  H16  1  0.854  0.302  0.217  1.0
  H  H17  1  0.850  0.448  0.129  1.0
  H  H18  1  0.553  0.272  0.416  1.0
  H  H19  1  0.700  0.448  0.422  1.0
  H  H20  1  0.463  0.732  0.075  1.0
  H  H21  1  0.307  0.565  0.071  1.0
  H  H22  1  0.181  0.557  0.369  1.0
  H  H23  1  0.159  0.700  0.280  1.0
  H  H24  1  0.740  0.841  0.265  1.0
  H  H25  1  0.578  0.841  0.346  1.0
  H  H26  1  0.453  0.160  0.149  1.0
  H  H27  1  0.281  0.162  0.225  1.0
  Cl  Cl28  1  0.503  0.016  0.002  1.0
  Cl  Cl29  1  0.510  0.994  0.494  1.0
  Cl  Cl30  1  0.023  0.493  0.993  1.0
  Cl  Cl31  1  0.993  0.515  0.504  1.0
  Cl  Cl32  1  0.003  0.995  0.751  1.0
  Cl  Cl33  1  0.009  0.004  0.249  1.0
  O  O34  1  0.779  0.604  0.709  1.0
  O  O35  1  0.393  0.588  0.616  1.0
  O  O36  1  0.586  0.225  0.694  1.0
  O  O37  1  0.408  0.766  0.811  1.0
  O  O38  1  0.615  0.410  0.888  1.0
  O  O39  1  0.231  0.391  0.789  1.0
  O  O40  1  0.783  0.415  0.190  1.0
  O  O41  1  0.585  0.399  0.386  1.0
  O  O42  1  0.423  0.609  0.107  1.0
  O  O43  1  0.233  0.586  0.304  1.0
  O  O44  1  0.615  0.779  0.284  1.0
  O  O45  1  0.405  0.226  0.208  1.0
[/CIF]
.