The compound described by Na2MgH4(SO4)2 crystallizes in the triclinic P-1 space group. Na(1) is bonded in a 6-coordinate geometry to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms. Mg(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(2) and one O(4) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(2) and one O(4) atom. S(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Na(1), one Mg(1), and one S(1) atom to form a mixture of distorted corner and edge-sharing ONa2MgS trigonal pyramids. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(1), one H(1), one H(2), and one S(1) atom. In the third O site, O(3) is bonded to two equivalent Na(1), one Mg(1), and one S(1) atom to form a mixture of distorted corner and edge-sharing ONa2MgS trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted water-like geometry to one Na(1), one Mg(1), one H(1), and one H(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2MgH4(SO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.243
_cell_length_b   5.984
_cell_length_c   7.588
_cell_angle_alpha   100.220
_cell_angle_beta   109.382
_cell_angle_gamma   106.887
_symmetry_Int_Tables_number   1
_cell_volume   204.794
_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
  Na  Na0  1  0.329  0.001  0.669  1.0
  Na  Na1  1  0.671  0.999  0.331  1.0
  Mg  Mg2  1  0.500  0.500  0.500  1.0
  H  H3  1  0.274  0.242  0.108  1.0
  H  H4  1  0.726  0.758  0.892  1.0
  H  H5  1  0.158  0.053  0.211  1.0
  H  H6  1  0.842  0.947  0.789  1.0
  S  S7  1  0.930  0.610  0.263  1.0
  S  S8  1  0.070  0.390  0.737  1.0
  O  O9  1  0.269  0.703  0.363  1.0
  O  O10  1  0.731  0.297  0.637  1.0
  O  O11  1  0.871  0.789  0.144  1.0
  O  O12  1  0.129  0.211  0.856  1.0
  O  O13  1  0.845  0.689  0.436  1.0
  O  O14  1  0.155  0.311  0.564  1.0
  O  O15  1  0.329  0.204  0.235  1.0
  O  O16  1  0.671  0.796  0.765  1.0
[/CIF]
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The compound described by Na2MgH4(SO4)2 crystallizes in the triclinic P-1 space group. Na(1) is bonded in a 6-coordinate geometry to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms. Mg(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(2) and one O(4) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(2) and one O(4) atom. S(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Na(1), one Mg(1), and one S(1) atom to form a mixture of distorted corner and edge-sharing ONa2MgS trigonal pyramids. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(1), one H(1), one H(2), and one S(1) atom. In the third O site, O(3) is bonded to two equivalent Na(1), one Mg(1), and one S(1) atom to form a mixture of distorted corner and edge-sharing ONa2MgS trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted water-like geometry to one Na(1), one Mg(1), one H(1), and one H(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2MgH4(SO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.243
_cell_length_b   5.984
_cell_length_c   7.588
_cell_angle_alpha   100.220
_cell_angle_beta   109.382
_cell_angle_gamma   106.887
_symmetry_Int_Tables_number   1
_cell_volume   204.794
_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
  Na  Na0  1  0.329  0.001  0.669  1.0
  Na  Na1  1  0.671  0.999  0.331  1.0
  Mg  Mg2  1  0.500  0.500  0.500  1.0
  H  H3  1  0.274  0.242  0.108  1.0
  H  H4  1  0.726  0.758  0.892  1.0
  H  H5  1  0.158  0.053  0.211  1.0
  H  H6  1  0.842  0.947  0.789  1.0
  S  S7  1  0.930  0.610  0.263  1.0
  S  S8  1  0.070  0.390  0.737  1.0
  O  O9  1  0.269  0.703  0.363  1.0
  O  O10  1  0.731  0.297  0.637  1.0
  O  O11  1  0.871  0.789  0.144  1.0
  O  O12  1  0.129  0.211  0.856  1.0
  O  O13  1  0.845  0.689  0.436  1.0
  O  O14  1  0.155  0.311  0.564  1.0
  O  O15  1  0.329  0.204  0.235  1.0
  O  O16  1  0.671  0.796  0.765  1.0
[/CIF]
.