The material structure described by Sr3B3N5 crystallizes in the triclinic P-1 space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 6-coordinate geometry to one N(1), one N(3), two equivalent N(2), and two equivalent N(4) atoms. In the second Sr site, Sr(2) is bonded in a 5-coordinate geometry to one N(3), one N(4), one N(5), and two equivalent N(1) atoms. In the third Sr site, Sr(3) is bonded in a 6-coordinate geometry to one N(1), one N(3), one N(4), one N(5), and two equivalent N(2) atoms. There are three inequivalent B sites. In the first B site, B(1) is bonded in a distorted trigonal planar geometry to one N(5) and two equivalent N(3) atoms. In the second B site, B(2) is bonded in a distorted trigonal planar geometry to one N(1), one N(2), and one N(4) atom. In the third B site, B(3) is bonded in a distorted trigonal planar geometry to one N(1), one N(2), and one N(5) atom. There are five inequivalent N sites. In the first N site, N(1) is bonded in a 2-coordinate geometry to one Sr(1), one Sr(3), two equivalent Sr(2), one B(2), and one B(3) atom. In the second N site, N(2) is bonded in a 2-coordinate geometry to two equivalent Sr(1), two equivalent Sr(3), one B(2), and one B(3) atom. In the third N site, N(3) is bonded to one Sr(1), one Sr(2), one Sr(3), and two equivalent B(1) atoms to form distorted edge-sharing NSr3B2 trigonal bipyramids. In the fourth N site, N(4) is bonded in a distorted single-bond geometry to one Sr(2), one Sr(3), two equivalent Sr(1), and one B(2) atom. In the fifth N site, N(5) is bonded in a distorted rectangular see-saw-like geometry to one Sr(2), one Sr(3), one B(1), and one B(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3B3N5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.379
_cell_length_b   6.931
_cell_length_c   7.545
_cell_angle_alpha   78.506
_cell_angle_beta   80.239
_cell_angle_gamma   87.387
_symmetry_Int_Tables_number   1
_cell_volume   322.151
_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  0.273  0.048  0.380  1.0
  Sr  Sr1  1  0.727  0.952  0.620  1.0
  Sr  Sr2  1  0.886  0.713  0.137  1.0
  Sr  Sr3  1  0.114  0.287  0.863  1.0
  Sr  Sr4  1  0.663  0.443  0.703  1.0
  Sr  Sr5  1  0.337  0.557  0.297  1.0
  B  B6  1  0.411  0.903  0.979  1.0
  B  B7  1  0.589  0.097  0.021  1.0
  B  B8  1  0.915  0.303  0.410  1.0
  B  B9  1  0.085  0.697  0.590  1.0
  B  B10  1  0.798  0.289  0.198  1.0
  B  B11  1  0.202  0.711  0.802  1.0
  N  N12  1  0.027  0.325  0.213  1.0
  N  N13  1  0.973  0.675  0.787  1.0
  N  N14  1  0.678  0.321  0.378  1.0
  N  N15  1  0.322  0.679  0.622  1.0
  N  N16  1  0.528  0.897  0.137  1.0
  N  N17  1  0.472  0.103  0.863  1.0
  N  N18  1  0.007  0.761  0.424  1.0
  N  N19  1  0.993  0.239  0.576  1.0
  N  N20  1  0.725  0.244  0.042  1.0
  N  N21  1  0.275  0.756  0.958  1.0
[/CIF]
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The material structure described by Sr3B3N5 crystallizes in the triclinic P-1 space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 6-coordinate geometry to one N(1), one N(3), two equivalent N(2), and two equivalent N(4) atoms. In the second Sr site, Sr(2) is bonded in a 5-coordinate geometry to one N(3), one N(4), one N(5), and two equivalent N(1) atoms. In the third Sr site, Sr(3) is bonded in a 6-coordinate geometry to one N(1), one N(3), one N(4), one N(5), and two equivalent N(2) atoms. There are three inequivalent B sites. In the first B site, B(1) is bonded in a distorted trigonal planar geometry to one N(5) and two equivalent N(3) atoms. In the second B site, B(2) is bonded in a distorted trigonal planar geometry to one N(1), one N(2), and one N(4) atom. In the third B site, B(3) is bonded in a distorted trigonal planar geometry to one N(1), one N(2), and one N(5) atom. There are five inequivalent N sites. In the first N site, N(1) is bonded in a 2-coordinate geometry to one Sr(1), one Sr(3), two equivalent Sr(2), one B(2), and one B(3) atom. In the second N site, N(2) is bonded in a 2-coordinate geometry to two equivalent Sr(1), two equivalent Sr(3), one B(2), and one B(3) atom. In the third N site, N(3) is bonded to one Sr(1), one Sr(2), one Sr(3), and two equivalent B(1) atoms to form distorted edge-sharing NSr3B2 trigonal bipyramids. In the fourth N site, N(4) is bonded in a distorted single-bond geometry to one Sr(2), one Sr(3), two equivalent Sr(1), and one B(2) atom. In the fifth N site, N(5) is bonded in a distorted rectangular see-saw-like geometry to one Sr(2), one Sr(3), one B(1), and one B(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3B3N5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.379
_cell_length_b   6.931
_cell_length_c   7.545
_cell_angle_alpha   78.506
_cell_angle_beta   80.239
_cell_angle_gamma   87.387
_symmetry_Int_Tables_number   1
_cell_volume   322.151
_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  0.273  0.048  0.380  1.0
  Sr  Sr1  1  0.727  0.952  0.620  1.0
  Sr  Sr2  1  0.886  0.713  0.137  1.0
  Sr  Sr3  1  0.114  0.287  0.863  1.0
  Sr  Sr4  1  0.663  0.443  0.703  1.0
  Sr  Sr5  1  0.337  0.557  0.297  1.0
  B  B6  1  0.411  0.903  0.979  1.0
  B  B7  1  0.589  0.097  0.021  1.0
  B  B8  1  0.915  0.303  0.410  1.0
  B  B9  1  0.085  0.697  0.590  1.0
  B  B10  1  0.798  0.289  0.198  1.0
  B  B11  1  0.202  0.711  0.802  1.0
  N  N12  1  0.027  0.325  0.213  1.0
  N  N13  1  0.973  0.675  0.787  1.0
  N  N14  1  0.678  0.321  0.378  1.0
  N  N15  1  0.322  0.679  0.622  1.0
  N  N16  1  0.528  0.897  0.137  1.0
  N  N17  1  0.472  0.103  0.863  1.0
  N  N18  1  0.007  0.761  0.424  1.0
  N  N19  1  0.993  0.239  0.576  1.0
  N  N20  1  0.725  0.244  0.042  1.0
  N  N21  1  0.275  0.756  0.958  1.0
[/CIF]
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