The material described by Na2MgH4(SO4)2 crystallizes in the triclinic P-1 space group. Na(1) is bonded in a 3-coordinate geometry to one S(1), one O(2), and one O(3) atom. Mg(1) is bonded in a distorted linear geometry to two equivalent O(4) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one O(2) and one O(4) atom. In the second H site, H(2) is bonded in a distorted T-shaped geometry to one O(1) and two equivalent O(4) atoms. S(1) is bonded in a 2-coordinate geometry to one Na(1), one O(1), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one H(2) and one S(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Na(1) and one H(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1) and two equivalent S(1) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Mg(1), one H(1), and two equivalent H(2) atoms. is represented by the CIF card [CIF]
data_Na2MgH4(SO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.588
_cell_length_b   5.984
_cell_length_c   5.243
_cell_angle_alpha   106.887
_cell_angle_beta   109.382
_cell_angle_gamma   100.220
_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  0.339  0.332  0.999  1.0
  Na  Na1  1  0.661  0.668  0.001  1.0
  Mg  Mg2  1  0.000  0.000  0.500  1.0
  H  H3  1  0.833  0.135  0.758  1.0
  H  H4  1  0.167  0.865  0.242  1.0
  H  H5  1  0.053  0.842  0.947  1.0
  H  H6  1  0.947  0.158  0.053  1.0
  S  S7  1  0.333  0.347  0.390  1.0
  S  S8  1  0.667  0.653  0.610  1.0
  O  O9  1  0.095  0.340  0.297  1.0
  O  O10  1  0.905  0.660  0.703  1.0
  O  O11  1  0.273  0.645  0.211  1.0
  O  O12  1  0.727  0.355  0.789  1.0
  O  O13  1  0.591  0.253  0.311  1.0
  O  O14  1  0.409  0.747  0.689  1.0
  O  O15  1  0.905  0.969  0.796  1.0
  O  O16  1  0.095  0.031  0.204  1.0
[/CIF]
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The material described by Na2MgH4(SO4)2 crystallizes in the triclinic P-1 space group. Na(1) is bonded in a 3-coordinate geometry to one S(1), one O(2), and one O(3) atom. Mg(1) is bonded in a distorted linear geometry to two equivalent O(4) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one O(2) and one O(4) atom. In the second H site, H(2) is bonded in a distorted T-shaped geometry to one O(1) and two equivalent O(4) atoms. S(1) is bonded in a 2-coordinate geometry to one Na(1), one O(1), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one H(2) and one S(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Na(1) and one H(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1) and two equivalent S(1) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Mg(1), one H(1), and two equivalent H(2) atoms. is represented by the CIF card [CIF]
data_Na2MgH4(SO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.588
_cell_length_b   5.984
_cell_length_c   5.243
_cell_angle_alpha   106.887
_cell_angle_beta   109.382
_cell_angle_gamma   100.220
_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  0.339  0.332  0.999  1.0
  Na  Na1  1  0.661  0.668  0.001  1.0
  Mg  Mg2  1  0.000  0.000  0.500  1.0
  H  H3  1  0.833  0.135  0.758  1.0
  H  H4  1  0.167  0.865  0.242  1.0
  H  H5  1  0.053  0.842  0.947  1.0
  H  H6  1  0.947  0.158  0.053  1.0
  S  S7  1  0.333  0.347  0.390  1.0
  S  S8  1  0.667  0.653  0.610  1.0
  O  O9  1  0.095  0.340  0.297  1.0
  O  O10  1  0.905  0.660  0.703  1.0
  O  O11  1  0.273  0.645  0.211  1.0
  O  O12  1  0.727  0.355  0.789  1.0
  O  O13  1  0.591  0.253  0.311  1.0
  O  O14  1  0.409  0.747  0.689  1.0
  O  O15  1  0.905  0.969  0.796  1.0
  O  O16  1  0.095  0.031  0.204  1.0
[/CIF]
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