The material described by NaSrBO3 crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form face-sharing NaO6 octahedra. Sr(1) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(3) 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 1-coordinate geometry to two equivalent Na(1), three equivalent Sr(1), and one B(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to two equivalent Na(1), three equivalent Sr(1), and one B(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to two equivalent Na(1), three equivalent Sr(1), and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaSrBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.337
_cell_length_b   5.393
_cell_length_c   6.128
_cell_angle_alpha   79.745
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   303.665
_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
  Na  Na0  1  0.759  0.743  0.035  1.0
  Na  Na1  1  0.259  0.257  0.465  1.0
  Na  Na2  1  0.241  0.257  0.965  1.0
  Na  Na3  1  0.741  0.743  0.535  1.0
  Sr  Sr4  1  0.587  0.247  0.785  1.0
  Sr  Sr5  1  0.087  0.753  0.715  1.0
  Sr  Sr6  1  0.413  0.753  0.215  1.0
  Sr  Sr7  1  0.913  0.247  0.285  1.0
  B  B8  1  0.080  0.754  0.237  1.0
  B  B9  1  0.420  0.754  0.737  1.0
  B  B10  1  0.580  0.246  0.263  1.0
  B  B11  1  0.920  0.246  0.763  1.0
  O  O12  1  0.061  0.276  0.687  1.0
  O  O13  1  0.345  0.963  0.780  1.0
  O  O14  1  0.939  0.724  0.313  1.0
  O  O15  1  0.855  0.423  0.869  1.0
  O  O16  1  0.355  0.577  0.631  1.0
  O  O17  1  0.645  0.423  0.369  1.0
  O  O18  1  0.145  0.577  0.131  1.0
  O  O19  1  0.439  0.276  0.187  1.0
  O  O20  1  0.655  0.037  0.220  1.0
  O  O21  1  0.845  0.037  0.720  1.0
  O  O22  1  0.155  0.963  0.280  1.0
  O  O23  1  0.561  0.724  0.813  1.0
[/CIF]
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The material described by NaSrBO3 crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form face-sharing NaO6 octahedra. Sr(1) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(3) 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 1-coordinate geometry to two equivalent Na(1), three equivalent Sr(1), and one B(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to two equivalent Na(1), three equivalent Sr(1), and one B(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to two equivalent Na(1), three equivalent Sr(1), and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaSrBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.337
_cell_length_b   5.393
_cell_length_c   6.128
_cell_angle_alpha   79.745
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   303.665
_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
  Na  Na0  1  0.759  0.743  0.035  1.0
  Na  Na1  1  0.259  0.257  0.465  1.0
  Na  Na2  1  0.241  0.257  0.965  1.0
  Na  Na3  1  0.741  0.743  0.535  1.0
  Sr  Sr4  1  0.587  0.247  0.785  1.0
  Sr  Sr5  1  0.087  0.753  0.715  1.0
  Sr  Sr6  1  0.413  0.753  0.215  1.0
  Sr  Sr7  1  0.913  0.247  0.285  1.0
  B  B8  1  0.080  0.754  0.237  1.0
  B  B9  1  0.420  0.754  0.737  1.0
  B  B10  1  0.580  0.246  0.263  1.0
  B  B11  1  0.920  0.246  0.763  1.0
  O  O12  1  0.061  0.276  0.687  1.0
  O  O13  1  0.345  0.963  0.780  1.0
  O  O14  1  0.939  0.724  0.313  1.0
  O  O15  1  0.855  0.423  0.869  1.0
  O  O16  1  0.355  0.577  0.631  1.0
  O  O17  1  0.645  0.423  0.369  1.0
  O  O18  1  0.145  0.577  0.131  1.0
  O  O19  1  0.439  0.276  0.187  1.0
  O  O20  1  0.655  0.037  0.220  1.0
  O  O21  1  0.845  0.037  0.720  1.0
  O  O22  1  0.155  0.963  0.280  1.0
  O  O23  1  0.561  0.724  0.813  1.0
[/CIF]
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