The material described by Sr2Mg(H4O3)2 crystallizes in the triclinic P1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 7-coordinate geometry to one O(1), two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms. In the second Sr site, Sr(2) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(4), and two equivalent O(6) atoms. Mg(1) is bonded in an L-shaped geometry to one O(2) and one O(5) atom. 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 linear geometry to one O(1) and one O(3) atom. In the third H site, H(3) is bonded in a distorted linear geometry to one O(2) and one O(4) 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(4) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(5) atom. In the eighth H site, H(8) 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 water-like geometry to one Sr(1), one Sr(2), one H(1), and one H(2) atom. In the second O site, O(2) is bonded in a distorted water-like 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 single-bond geometry to two equivalent Sr(1), one H(2), and one H(5) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to two equivalent Sr(2), one H(3), and one H(6) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Mg(1), and one H(7) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent Sr(1), two equivalent Sr(2), and one H(8) atom. is represented by the CIF card [CIF]
data_Sr2Mg(H4O3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.686
_cell_length_b   6.520
_cell_length_c   9.030
_cell_angle_alpha   84.227
_cell_angle_beta   86.618
_cell_angle_gamma   93.613
_symmetry_Int_Tables_number   1
_cell_volume   215.031
_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
  Sr  Sr0  1  0.035  0.650  0.771  1.0
  Sr  Sr1  1  0.996  0.288  0.110  1.0
  Mg  Mg2  1  0.668  0.595  0.386  1.0
  H  H3  1  0.244  0.116  0.801  1.0
  H  H4  1  0.819  0.106  0.802  1.0
  H  H5  1  0.673  0.978  0.348  1.0
  H  H6  1  0.087  0.953  0.368  1.0
  H  H7  1  0.601  0.977  0.632  1.0
  H  H8  1  0.428  0.907  0.178  1.0
  H  H9  1  0.491  0.376  0.624  1.0
  H  H10  1  0.529  0.601  0.063  1.0
  O  O11  1  0.032  0.192  0.839  1.0
  O  O12  1  0.846  0.910  0.422  1.0
  O  O13  1  0.539  0.947  0.739  1.0
  O  O14  1  0.439  0.044  0.215  1.0
  O  O15  1  0.550  0.524  0.606  1.0
  O  O16  1  0.522  0.524  0.974  1.0
[/CIF]
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The material described by Sr2Mg(H4O3)2 crystallizes in the triclinic P1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 7-coordinate geometry to one O(1), two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms. In the second Sr site, Sr(2) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(4), and two equivalent O(6) atoms. Mg(1) is bonded in an L-shaped geometry to one O(2) and one O(5) atom. 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 linear geometry to one O(1) and one O(3) atom. In the third H site, H(3) is bonded in a distorted linear geometry to one O(2) and one O(4) 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(4) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(5) atom. In the eighth H site, H(8) 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 water-like geometry to one Sr(1), one Sr(2), one H(1), and one H(2) atom. In the second O site, O(2) is bonded in a distorted water-like 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 single-bond geometry to two equivalent Sr(1), one H(2), and one H(5) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to two equivalent Sr(2), one H(3), and one H(6) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Mg(1), and one H(7) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent Sr(1), two equivalent Sr(2), and one H(8) atom. is represented by the CIF card [CIF]
data_Sr2Mg(H4O3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.686
_cell_length_b   6.520
_cell_length_c   9.030
_cell_angle_alpha   84.227
_cell_angle_beta   86.618
_cell_angle_gamma   93.613
_symmetry_Int_Tables_number   1
_cell_volume   215.031
_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
  Sr  Sr0  1  0.035  0.650  0.771  1.0
  Sr  Sr1  1  0.996  0.288  0.110  1.0
  Mg  Mg2  1  0.668  0.595  0.386  1.0
  H  H3  1  0.244  0.116  0.801  1.0
  H  H4  1  0.819  0.106  0.802  1.0
  H  H5  1  0.673  0.978  0.348  1.0
  H  H6  1  0.087  0.953  0.368  1.0
  H  H7  1  0.601  0.977  0.632  1.0
  H  H8  1  0.428  0.907  0.178  1.0
  H  H9  1  0.491  0.376  0.624  1.0
  H  H10  1  0.529  0.601  0.063  1.0
  O  O11  1  0.032  0.192  0.839  1.0
  O  O12  1  0.846  0.910  0.422  1.0
  O  O13  1  0.539  0.947  0.739  1.0
  O  O14  1  0.439  0.044  0.215  1.0
  O  O15  1  0.550  0.524  0.606  1.0
  O  O16  1  0.522  0.524  0.974  1.0
[/CIF]
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