The material described by Sr2BN2Cl crystallizes in the orthorhombic Pnma space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one N(1), three equivalent N(2), and two equivalent Cl(1) atoms to form distorted edge-sharing SrN4Cl2 octahedra. In the second Sr site, Sr(2) is bonded in a 7-coordinate geometry to one B(1), one N(2), two equivalent N(1), and three equivalent Cl(1) atoms. B(1) is bonded in a linear geometry to one Sr(2), one N(1), and one N(2) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Sr(1), two equivalent Sr(2), and one B(1) atom to form distorted NSr3B tetrahedra that share corners with two equivalent N(1)Sr3B tetrahedra, corners with two equivalent N(2)Sr4B trigonal bipyramids, corners with six equivalent Cl(1)Sr5 trigonal bipyramids,  an edgeedge with one Cl(1)Sr5 trigonal bipyramid, and edges with two equivalent N(2)Sr4B trigonal bipyramids. In the second N site, N(2) is bonded to one Sr(2), three equivalent Sr(1), and one B(1) atom to form distorted NSr4B trigonal bipyramids that share corners with two equivalent N(1)Sr3B tetrahedra, corners with two equivalent N(2)Sr4B trigonal bipyramids, corners with seven equivalent Cl(1)Sr5 trigonal bipyramids, edges with two equivalent N(1)Sr3B tetrahedra,  an edgeedge with one Cl(1)Sr5 trigonal bipyramid, and edges with two equivalent N(2)Sr4B trigonal bipyramids. Cl(1) is bonded to two equivalent Sr(1) and three equivalent Sr(2) atoms to form distorted ClSr5 trigonal bipyramids that share corners with six equivalent N(1)Sr3B tetrahedra, corners with seven equivalent N(2)Sr4B trigonal bipyramids,  an edgeedge with one N(1)Sr3B tetrahedra,  an edgeedge with one N(2)Sr4B trigonal bipyramid, and edges with four equivalent Cl(1)Sr5 trigonal bipyramids. is represented by the CIF file [CIF]
data_Sr2BN2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.203
_cell_length_b   9.281
_cell_length_c   12.540
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   489.184
_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  0.250  0.884  0.588  1.0
  Sr  Sr1  1  0.250  0.616  0.088  1.0
  Sr  Sr2  1  0.750  0.384  0.912  1.0
  Sr  Sr3  1  0.750  0.116  0.412  1.0
  Sr  Sr4  1  0.750  0.940  0.829  1.0
  Sr  Sr5  1  0.250  0.060  0.171  1.0
  Sr  Sr6  1  0.250  0.440  0.671  1.0
  Sr  Sr7  1  0.750  0.560  0.329  1.0
  B  B8  1  0.750  0.328  0.166  1.0
  B  B9  1  0.250  0.672  0.834  1.0
  B  B10  1  0.250  0.828  0.334  1.0
  B  B11  1  0.750  0.172  0.666  1.0
  N  N12  1  0.750  0.301  0.714  1.0
  N  N13  1  0.250  0.699  0.286  1.0
  N  N14  1  0.250  0.801  0.786  1.0
  N  N15  1  0.750  0.462  0.123  1.0
  N  N16  1  0.750  0.038  0.623  1.0
  N  N17  1  0.250  0.962  0.377  1.0
  N  N18  1  0.250  0.538  0.877  1.0
  N  N19  1  0.750  0.199  0.214  1.0
  Cl  Cl20  1  0.750  0.855  0.062  1.0
  Cl  Cl21  1  0.250  0.355  0.438  1.0
  Cl  Cl22  1  0.250  0.145  0.938  1.0
  Cl  Cl23  1  0.750  0.645  0.562  1.0
[/CIF]
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The material described by Sr2BN2Cl crystallizes in the orthorhombic Pnma space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one N(1), three equivalent N(2), and two equivalent Cl(1) atoms to form distorted edge-sharing SrN4Cl2 octahedra. In the second Sr site, Sr(2) is bonded in a 7-coordinate geometry to one B(1), one N(2), two equivalent N(1), and three equivalent Cl(1) atoms. B(1) is bonded in a linear geometry to one Sr(2), one N(1), and one N(2) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Sr(1), two equivalent Sr(2), and one B(1) atom to form distorted NSr3B tetrahedra that share corners with two equivalent N(1)Sr3B tetrahedra, corners with two equivalent N(2)Sr4B trigonal bipyramids, corners with six equivalent Cl(1)Sr5 trigonal bipyramids,  an edgeedge with one Cl(1)Sr5 trigonal bipyramid, and edges with two equivalent N(2)Sr4B trigonal bipyramids. In the second N site, N(2) is bonded to one Sr(2), three equivalent Sr(1), and one B(1) atom to form distorted NSr4B trigonal bipyramids that share corners with two equivalent N(1)Sr3B tetrahedra, corners with two equivalent N(2)Sr4B trigonal bipyramids, corners with seven equivalent Cl(1)Sr5 trigonal bipyramids, edges with two equivalent N(1)Sr3B tetrahedra,  an edgeedge with one Cl(1)Sr5 trigonal bipyramid, and edges with two equivalent N(2)Sr4B trigonal bipyramids. Cl(1) is bonded to two equivalent Sr(1) and three equivalent Sr(2) atoms to form distorted ClSr5 trigonal bipyramids that share corners with six equivalent N(1)Sr3B tetrahedra, corners with seven equivalent N(2)Sr4B trigonal bipyramids,  an edgeedge with one N(1)Sr3B tetrahedra,  an edgeedge with one N(2)Sr4B trigonal bipyramid, and edges with four equivalent Cl(1)Sr5 trigonal bipyramids. is represented by the CIF file [CIF]
data_Sr2BN2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.203
_cell_length_b   9.281
_cell_length_c   12.540
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   489.184
_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  0.250  0.884  0.588  1.0
  Sr  Sr1  1  0.250  0.616  0.088  1.0
  Sr  Sr2  1  0.750  0.384  0.912  1.0
  Sr  Sr3  1  0.750  0.116  0.412  1.0
  Sr  Sr4  1  0.750  0.940  0.829  1.0
  Sr  Sr5  1  0.250  0.060  0.171  1.0
  Sr  Sr6  1  0.250  0.440  0.671  1.0
  Sr  Sr7  1  0.750  0.560  0.329  1.0
  B  B8  1  0.750  0.328  0.166  1.0
  B  B9  1  0.250  0.672  0.834  1.0
  B  B10  1  0.250  0.828  0.334  1.0
  B  B11  1  0.750  0.172  0.666  1.0
  N  N12  1  0.750  0.301  0.714  1.0
  N  N13  1  0.250  0.699  0.286  1.0
  N  N14  1  0.250  0.801  0.786  1.0
  N  N15  1  0.750  0.462  0.123  1.0
  N  N16  1  0.750  0.038  0.623  1.0
  N  N17  1  0.250  0.962  0.377  1.0
  N  N18  1  0.250  0.538  0.877  1.0
  N  N19  1  0.750  0.199  0.214  1.0
  Cl  Cl20  1  0.750  0.855  0.062  1.0
  Cl  Cl21  1  0.250  0.355  0.438  1.0
  Cl  Cl22  1  0.250  0.145  0.938  1.0
  Cl  Cl23  1  0.750  0.645  0.562  1.0
[/CIF]
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