The material described by Mg(H2O)6LiH2OCl3 is Tetraauricupride structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one LiH2OCl3 cluster and one Mg(H2O)6 cluster. In the LiH2OCl3 cluster, Li(1) is bonded in a tetrahedral geometry to one O(4), one Cl(1), one Cl(2), and one Cl(3) atom. There are two inequivalent H sites. In the first H site, H(13) is bonded in a single-bond geometry to one O(4) atom. In the second H site, H(14) is bonded in a single-bond geometry to one O(4) atom. O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one H(13), and one H(14) atom. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Li(1) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Li(1) atom. In the third Cl site, Cl(3) is bonded in a single-bond geometry to one Li(1) atom. In the Mg(H2O)6 cluster, Mg(1) is bonded in an octahedral geometry to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) 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(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(5) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(6) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(7) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(1) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one O(2) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one O(3) 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(7) 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(7) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one H(2), and one H(8) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one H(3), and one H(9) atom. In the fourth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mg(1), one H(10), and one H(4) atom. In the fifth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mg(1), one H(11), and one H(5) atom. In the sixth O site, O(7) is bonded in a distorted trigonal planar geometry to one Mg(1), one H(12), and one H(6) atom. is represented by the CIF card [CIF]
data_LiMgH14Cl3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.676
_cell_length_b   6.690
_cell_length_c   6.894
_cell_angle_alpha   88.156
_cell_angle_beta   88.174
_cell_angle_gamma   88.159
_symmetry_Int_Tables_number   1
_cell_volume   307.440
_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
  Li  Li0  1  0.561  0.562  0.564  1.0
  Mg  Mg1  1  0.153  0.154  0.153  1.0
  H  H2  1  0.496  0.934  0.238  1.0
  H  H3  1  0.237  0.495  0.941  1.0
  H  H4  1  0.937  0.234  0.490  1.0
  H  H5  1  0.226  0.922  0.821  1.0
  H  H6  1  0.817  0.230  0.926  1.0
  H  H7  1  0.920  0.814  0.226  1.0
  H  H8  1  0.487  0.112  0.383  1.0
  H  H9  1  0.389  0.490  0.113  1.0
  H  H10  1  0.114  0.386  0.485  1.0
  H  H11  1  0.353  0.118  0.808  1.0
  H  H12  1  0.801  0.359  0.114  1.0
  H  H13  1  0.114  0.804  0.352  1.0
  H  H14  1  0.873  0.709  0.705  1.0
  H  H15  1  0.699  0.872  0.716  1.0
  Cl  Cl16  1  0.638  0.210  0.647  1.0
  Cl  Cl17  1  0.639  0.632  0.231  1.0
  Cl  Cl18  1  0.209  0.645  0.642  1.0
  O  O19  1  0.430  0.064  0.264  1.0
  O  O20  1  0.267  0.429  0.066  1.0
  O  O21  1  0.067  0.264  0.425  1.0
  O  O22  1  0.726  0.727  0.715  1.0
  O  O23  1  0.240  0.054  0.878  1.0
  O  O24  1  0.873  0.243  0.055  1.0
  O  O25  1  0.051  0.874  0.240  1.0
[/CIF]
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The material described by Mg(H2O)6LiH2OCl3 is Tetraauricupride structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one LiH2OCl3 cluster and one Mg(H2O)6 cluster. In the LiH2OCl3 cluster, Li(1) is bonded in a tetrahedral geometry to one O(4), one Cl(1), one Cl(2), and one Cl(3) atom. There are two inequivalent H sites. In the first H site, H(13) is bonded in a single-bond geometry to one O(4) atom. In the second H site, H(14) is bonded in a single-bond geometry to one O(4) atom. O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one H(13), and one H(14) atom. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Li(1) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Li(1) atom. In the third Cl site, Cl(3) is bonded in a single-bond geometry to one Li(1) atom. In the Mg(H2O)6 cluster, Mg(1) is bonded in an octahedral geometry to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) 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(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(5) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(6) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(7) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(1) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one O(2) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one O(3) 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(7) 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(7) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one H(2), and one H(8) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one H(3), and one H(9) atom. In the fourth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mg(1), one H(10), and one H(4) atom. In the fifth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mg(1), one H(11), and one H(5) atom. In the sixth O site, O(7) is bonded in a distorted trigonal planar geometry to one Mg(1), one H(12), and one H(6) atom. is represented by the CIF card [CIF]
data_LiMgH14Cl3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.676
_cell_length_b   6.690
_cell_length_c   6.894
_cell_angle_alpha   88.156
_cell_angle_beta   88.174
_cell_angle_gamma   88.159
_symmetry_Int_Tables_number   1
_cell_volume   307.440
_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
  Li  Li0  1  0.561  0.562  0.564  1.0
  Mg  Mg1  1  0.153  0.154  0.153  1.0
  H  H2  1  0.496  0.934  0.238  1.0
  H  H3  1  0.237  0.495  0.941  1.0
  H  H4  1  0.937  0.234  0.490  1.0
  H  H5  1  0.226  0.922  0.821  1.0
  H  H6  1  0.817  0.230  0.926  1.0
  H  H7  1  0.920  0.814  0.226  1.0
  H  H8  1  0.487  0.112  0.383  1.0
  H  H9  1  0.389  0.490  0.113  1.0
  H  H10  1  0.114  0.386  0.485  1.0
  H  H11  1  0.353  0.118  0.808  1.0
  H  H12  1  0.801  0.359  0.114  1.0
  H  H13  1  0.114  0.804  0.352  1.0
  H  H14  1  0.873  0.709  0.705  1.0
  H  H15  1  0.699  0.872  0.716  1.0
  Cl  Cl16  1  0.638  0.210  0.647  1.0
  Cl  Cl17  1  0.639  0.632  0.231  1.0
  Cl  Cl18  1  0.209  0.645  0.642  1.0
  O  O19  1  0.430  0.064  0.264  1.0
  O  O20  1  0.267  0.429  0.066  1.0
  O  O21  1  0.067  0.264  0.425  1.0
  O  O22  1  0.726  0.727  0.715  1.0
  O  O23  1  0.240  0.054  0.878  1.0
  O  O24  1  0.873  0.243  0.055  1.0
  O  O25  1  0.051  0.874  0.240  1.0
[/CIF]
.