The material described by LiSrBO3 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. Sr(1) is bonded in a 7-coordinate geometry to two equivalent O(1), two equivalent O(3), and three equivalent O(2) atoms. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Li(1), two equivalent Sr(1), and one B(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(1), three equivalent Sr(1), and one B(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Li(1), two equivalent Sr(1), and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrLiBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.710
_cell_length_b   6.459
_cell_length_c   7.664
_cell_angle_alpha   57.597
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   280.445
_cell_formula_units_Z   4
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  0.375  0.666  0.636  1.0
  Sr  Sr1  1  0.875  0.334  0.864  1.0
  Sr  Sr2  1  0.625  0.334  0.364  1.0
  Sr  Sr3  1  0.125  0.666  0.136  1.0
  Li  Li4  1  0.091  0.093  0.304  1.0
  Li  Li5  1  0.591  0.907  0.196  1.0
  Li  Li6  1  0.909  0.907  0.696  1.0
  Li  Li7  1  0.409  0.093  0.804  1.0
  B  B8  1  0.636  0.765  0.925  1.0
  B  B9  1  0.136  0.235  0.575  1.0
  B  B10  1  0.364  0.235  0.075  1.0
  B  B11  1  0.864  0.765  0.425  1.0
  O  O12  1  0.387  0.057  0.284  1.0
  O  O13  1  0.301  0.384  0.508  1.0
  O  O14  1  0.699  0.616  0.492  1.0
  O  O15  1  0.199  0.384  0.008  1.0
  O  O16  1  0.490  0.743  0.062  1.0
  O  O17  1  0.990  0.257  0.438  1.0
  O  O18  1  0.510  0.257  0.938  1.0
  O  O19  1  0.010  0.743  0.562  1.0
  O  O20  1  0.613  0.943  0.716  1.0
  O  O21  1  0.113  0.057  0.784  1.0
  O  O22  1  0.801  0.616  0.992  1.0
  O  O23  1  0.887  0.943  0.216  1.0
[/CIF]
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The material described by LiSrBO3 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. Sr(1) is bonded in a 7-coordinate geometry to two equivalent O(1), two equivalent O(3), and three equivalent O(2) atoms. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Li(1), two equivalent Sr(1), and one B(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(1), three equivalent Sr(1), and one B(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Li(1), two equivalent Sr(1), and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrLiBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.710
_cell_length_b   6.459
_cell_length_c   7.664
_cell_angle_alpha   57.597
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   280.445
_cell_formula_units_Z   4
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  0.375  0.666  0.636  1.0
  Sr  Sr1  1  0.875  0.334  0.864  1.0
  Sr  Sr2  1  0.625  0.334  0.364  1.0
  Sr  Sr3  1  0.125  0.666  0.136  1.0
  Li  Li4  1  0.091  0.093  0.304  1.0
  Li  Li5  1  0.591  0.907  0.196  1.0
  Li  Li6  1  0.909  0.907  0.696  1.0
  Li  Li7  1  0.409  0.093  0.804  1.0
  B  B8  1  0.636  0.765  0.925  1.0
  B  B9  1  0.136  0.235  0.575  1.0
  B  B10  1  0.364  0.235  0.075  1.0
  B  B11  1  0.864  0.765  0.425  1.0
  O  O12  1  0.387  0.057  0.284  1.0
  O  O13  1  0.301  0.384  0.508  1.0
  O  O14  1  0.699  0.616  0.492  1.0
  O  O15  1  0.199  0.384  0.008  1.0
  O  O16  1  0.490  0.743  0.062  1.0
  O  O17  1  0.990  0.257  0.438  1.0
  O  O18  1  0.510  0.257  0.938  1.0
  O  O19  1  0.010  0.743  0.562  1.0
  O  O20  1  0.613  0.943  0.716  1.0
  O  O21  1  0.113  0.057  0.784  1.0
  O  O22  1  0.801  0.616  0.992  1.0
  O  O23  1  0.887  0.943  0.216  1.0
[/CIF]
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