The structure described by Sr(OH)2H2O 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), one O(2), one O(6), two equivalent O(3), and two equivalent O(5) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one H(8), one O(1), one O(2), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. There are eight inequivalent H sites. In the first H site, H(1) is bonded in a distorted 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 single-bond geometry to one O(2) atom. In the fourth H site, H(4) is bonded in a linear geometry to one O(2) and one O(4) 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(5) 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 Sr(2) and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 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 2-coordinate geometry to one Sr(1), one Sr(2), one H(3), and one H(4) atom. In the third O site, O(3) is bonded in a 1-coordinate 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 distorted water-like geometry to two equivalent Sr(2), one H(4), and one H(7) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to two equivalent Sr(1), two equivalent Sr(2), and one H(6) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one Sr(1), two equivalent Sr(2), and one H(8) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrH4O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.803
_cell_length_b   5.787
_cell_length_c   7.190
_cell_angle_alpha   82.981
_cell_angle_beta   89.029
_cell_angle_gamma   82.066
_symmetry_Int_Tables_number   1
_cell_volume   155.550
_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
  Sr  Sr0  1  0.051  0.621  0.278  1.0
  Sr  Sr1  1  0.039  0.370  0.765  1.0
  H  H2  1  0.768  0.115  0.173  1.0
  H  H3  1  0.189  0.111  0.180  1.0
  H  H4  1  0.184  0.843  0.637  1.0
  H  H5  1  0.708  0.916  0.704  1.0
  H  H6  1  0.516  0.936  0.390  1.0
  H  H7  1  0.615  0.240  0.462  1.0
  H  H8  1  0.487  0.854  0.885  1.0
  H  H9  1  0.587  0.446  0.041  1.0
  O  O10  1  0.960  0.217  0.131  1.0
  O  O11  1  0.973  0.788  0.590  1.0
  O  O12  1  0.500  0.931  0.256  1.0
  O  O13  1  0.519  0.996  0.795  1.0
  O  O14  1  0.563  0.401  0.494  1.0
  O  O15  1  0.424  0.565  0.966  1.0
[/CIF]
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The structure described by Sr(OH)2H2O 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), one O(2), one O(6), two equivalent O(3), and two equivalent O(5) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one H(8), one O(1), one O(2), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. There are eight inequivalent H sites. In the first H site, H(1) is bonded in a distorted 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 single-bond geometry to one O(2) atom. In the fourth H site, H(4) is bonded in a linear geometry to one O(2) and one O(4) 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(5) 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 Sr(2) and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 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 2-coordinate geometry to one Sr(1), one Sr(2), one H(3), and one H(4) atom. In the third O site, O(3) is bonded in a 1-coordinate 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 distorted water-like geometry to two equivalent Sr(2), one H(4), and one H(7) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to two equivalent Sr(1), two equivalent Sr(2), and one H(6) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one Sr(1), two equivalent Sr(2), and one H(8) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrH4O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.803
_cell_length_b   5.787
_cell_length_c   7.190
_cell_angle_alpha   82.981
_cell_angle_beta   89.029
_cell_angle_gamma   82.066
_symmetry_Int_Tables_number   1
_cell_volume   155.550
_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
  Sr  Sr0  1  0.051  0.621  0.278  1.0
  Sr  Sr1  1  0.039  0.370  0.765  1.0
  H  H2  1  0.768  0.115  0.173  1.0
  H  H3  1  0.189  0.111  0.180  1.0
  H  H4  1  0.184  0.843  0.637  1.0
  H  H5  1  0.708  0.916  0.704  1.0
  H  H6  1  0.516  0.936  0.390  1.0
  H  H7  1  0.615  0.240  0.462  1.0
  H  H8  1  0.487  0.854  0.885  1.0
  H  H9  1  0.587  0.446  0.041  1.0
  O  O10  1  0.960  0.217  0.131  1.0
  O  O11  1  0.973  0.788  0.590  1.0
  O  O12  1  0.500  0.931  0.256  1.0
  O  O13  1  0.519  0.996  0.795  1.0
  O  O14  1  0.563  0.401  0.494  1.0
  O  O15  1  0.424  0.565  0.966  1.0
[/CIF]
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