The material structure described by Sr3(BN2)2 crystallizes in the cubic Pm-3m space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to three equivalent N(1) and three equivalent N(2) atoms to form a mixture of distorted face, corner, and edge-sharing SrN6 octahedra. The corner-sharing octahedral tilt angles range from 19-29°. In the second Sr site, Sr(2) is bonded to six equivalent N(2) atoms to form face-sharing SrN6 octahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded in a linear geometry to two equivalent N(2) atoms. In the second B site, B(2) is bonded in a linear geometry to two equivalent N(1) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted single-bond geometry to four equivalent Sr(1) and one B(2) atom. In the second N site, N(2) is bonded in a 6-coordinate geometry to one Sr(2), four equivalent Sr(1), and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3(BN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.647
_cell_length_b   7.647
_cell_length_c   7.647
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   447.187
_cell_formula_units_Z   3
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  0.737  0.737  0.263  1.0
  Sr  Sr1  1  0.263  0.263  0.737  1.0
  Sr  Sr2  1  0.737  0.263  0.737  1.0
  Sr  Sr3  1  0.263  0.737  0.263  1.0
  Sr  Sr4  1  0.737  0.263  0.263  1.0
  Sr  Sr5  1  0.263  0.737  0.737  1.0
  Sr  Sr6  1  0.737  0.737  0.737  1.0
  Sr  Sr7  1  0.263  0.263  0.263  1.0
  Sr  Sr8  1  0.000  0.000  0.000  1.0
  B  B9  1  0.000  0.000  0.500  1.0
  B  B10  1  0.500  0.500  0.000  1.0
  B  B11  1  0.500  0.000  0.500  1.0
  B  B12  1  0.000  0.500  0.000  1.0
  B  B13  1  0.500  0.000  0.000  1.0
  B  B14  1  0.000  0.500  0.500  1.0
  N  N15  1  0.500  0.500  0.175  1.0
  N  N16  1  0.000  0.000  0.675  1.0
  N  N17  1  0.500  0.825  0.500  1.0
  N  N18  1  0.000  0.325  0.000  1.0
  N  N19  1  0.325  0.000  0.000  1.0
  N  N20  1  0.825  0.500  0.500  1.0
  N  N21  1  0.500  0.500  0.825  1.0
  N  N22  1  0.000  0.000  0.325  1.0
  N  N23  1  0.500  0.175  0.500  1.0
  N  N24  1  0.000  0.675  0.000  1.0
  N  N25  1  0.675  0.000  0.000  1.0
  N  N26  1  0.175  0.500  0.500  1.0
[/CIF]
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The material structure described by Sr3(BN2)2 crystallizes in the cubic Pm-3m space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to three equivalent N(1) and three equivalent N(2) atoms to form a mixture of distorted face, corner, and edge-sharing SrN6 octahedra. The corner-sharing octahedral tilt angles range from 19-29°. In the second Sr site, Sr(2) is bonded to six equivalent N(2) atoms to form face-sharing SrN6 octahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded in a linear geometry to two equivalent N(2) atoms. In the second B site, B(2) is bonded in a linear geometry to two equivalent N(1) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted single-bond geometry to four equivalent Sr(1) and one B(2) atom. In the second N site, N(2) is bonded in a 6-coordinate geometry to one Sr(2), four equivalent Sr(1), and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3(BN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.647
_cell_length_b   7.647
_cell_length_c   7.647
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   447.187
_cell_formula_units_Z   3
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  0.737  0.737  0.263  1.0
  Sr  Sr1  1  0.263  0.263  0.737  1.0
  Sr  Sr2  1  0.737  0.263  0.737  1.0
  Sr  Sr3  1  0.263  0.737  0.263  1.0
  Sr  Sr4  1  0.737  0.263  0.263  1.0
  Sr  Sr5  1  0.263  0.737  0.737  1.0
  Sr  Sr6  1  0.737  0.737  0.737  1.0
  Sr  Sr7  1  0.263  0.263  0.263  1.0
  Sr  Sr8  1  0.000  0.000  0.000  1.0
  B  B9  1  0.000  0.000  0.500  1.0
  B  B10  1  0.500  0.500  0.000  1.0
  B  B11  1  0.500  0.000  0.500  1.0
  B  B12  1  0.000  0.500  0.000  1.0
  B  B13  1  0.500  0.000  0.000  1.0
  B  B14  1  0.000  0.500  0.500  1.0
  N  N15  1  0.500  0.500  0.175  1.0
  N  N16  1  0.000  0.000  0.675  1.0
  N  N17  1  0.500  0.825  0.500  1.0
  N  N18  1  0.000  0.325  0.000  1.0
  N  N19  1  0.325  0.000  0.000  1.0
  N  N20  1  0.825  0.500  0.500  1.0
  N  N21  1  0.500  0.500  0.825  1.0
  N  N22  1  0.000  0.000  0.325  1.0
  N  N23  1  0.500  0.175  0.500  1.0
  N  N24  1  0.000  0.675  0.000  1.0
  N  N25  1  0.675  0.000  0.000  1.0
  N  N26  1  0.175  0.500  0.500  1.0
[/CIF]
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