The material structure described by Sr2B5H2O11 crystallizes in the monoclinic C2 space group. Sr(1) is bonded in a 9-coordinate geometry to one O(1), one O(4), one O(5), two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms. There are three inequivalent B sites. In the first B site, B(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form corner-sharing BO4 tetrahedra. In the second B site, B(2) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form corner-sharing BO4 tetrahedra. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(5) atom. H(1) 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 bent 120 degrees geometry to one Sr(1), one B(2), and one B(3) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to two equivalent Sr(1), one B(1), and one B(3) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to two equivalent Sr(1), one B(1), and one B(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to two equivalent Sr(1) and two equivalent B(1) atoms. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Sr(1), one B(1), and one B(3) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent Sr(1) and one H(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2B5H2O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.561
_cell_length_b   6.561
_cell_length_c   6.409
_cell_angle_alpha   61.562
_cell_angle_beta   61.562
_cell_angle_gamma   76.889
_symmetry_Int_Tables_number   1
_cell_volume   213.287
_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  0.169  0.247  0.081  1.0
  Sr  Sr1  1  0.753  0.831  0.919  1.0
  B  B2  1  0.249  0.900  0.744  1.0
  B  B3  1  0.100  0.751  0.256  1.0
  B  B4  1  0.341  0.659  0.500  1.0
  B  B5  1  0.194  0.342  0.493  1.0
  B  B6  1  0.658  0.806  0.507  1.0
  H  H7  1  0.703  0.358  0.720  1.0
  H  H8  1  0.642  0.297  0.280  1.0
  O  O9  1  0.592  0.693  0.416  1.0
  O  O10  1  0.307  0.408  0.584  1.0
  O  O11  1  0.180  0.114  0.548  1.0
  O  O12  1  0.886  0.820  0.452  1.0
  O  O13  1  0.300  0.804  0.265  1.0
  O  O14  1  0.196  0.700  0.735  1.0
  O  O15  1  0.099  0.901  0.000  1.0
  O  O16  1  0.094  0.500  0.328  1.0
  O  O17  1  0.500  0.906  0.672  1.0
  O  O18  1  0.618  0.241  0.898  1.0
  O  O19  1  0.759  0.382  0.102  1.0
[/CIF]
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The material structure described by Sr2B5H2O11 crystallizes in the monoclinic C2 space group. Sr(1) is bonded in a 9-coordinate geometry to one O(1), one O(4), one O(5), two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms. There are three inequivalent B sites. In the first B site, B(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form corner-sharing BO4 tetrahedra. In the second B site, B(2) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form corner-sharing BO4 tetrahedra. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(5) atom. H(1) 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 bent 120 degrees geometry to one Sr(1), one B(2), and one B(3) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to two equivalent Sr(1), one B(1), and one B(3) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to two equivalent Sr(1), one B(1), and one B(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to two equivalent Sr(1) and two equivalent B(1) atoms. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Sr(1), one B(1), and one B(3) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent Sr(1) and one H(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2B5H2O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.561
_cell_length_b   6.561
_cell_length_c   6.409
_cell_angle_alpha   61.562
_cell_angle_beta   61.562
_cell_angle_gamma   76.889
_symmetry_Int_Tables_number   1
_cell_volume   213.287
_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  0.169  0.247  0.081  1.0
  Sr  Sr1  1  0.753  0.831  0.919  1.0
  B  B2  1  0.249  0.900  0.744  1.0
  B  B3  1  0.100  0.751  0.256  1.0
  B  B4  1  0.341  0.659  0.500  1.0
  B  B5  1  0.194  0.342  0.493  1.0
  B  B6  1  0.658  0.806  0.507  1.0
  H  H7  1  0.703  0.358  0.720  1.0
  H  H8  1  0.642  0.297  0.280  1.0
  O  O9  1  0.592  0.693  0.416  1.0
  O  O10  1  0.307  0.408  0.584  1.0
  O  O11  1  0.180  0.114  0.548  1.0
  O  O12  1  0.886  0.820  0.452  1.0
  O  O13  1  0.300  0.804  0.265  1.0
  O  O14  1  0.196  0.700  0.735  1.0
  O  O15  1  0.099  0.901  0.000  1.0
  O  O16  1  0.094  0.500  0.328  1.0
  O  O17  1  0.500  0.906  0.672  1.0
  O  O18  1  0.618  0.241  0.898  1.0
  O  O19  1  0.759  0.382  0.102  1.0
[/CIF]
.