The compound described by BaSrSi4(NO)4 crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to one N(5), one O(1), one O(3), one O(4), one O(5), one O(6), and one O(8) atom. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one N(6), one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 7-coordinate geometry to one N(3), one O(1), one O(3), one O(4), one O(5), one O(6), and one O(8) atom. In the second Sr site, Sr(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), one O(7), and one O(8) atom. There are eight inequivalent Si sites. In the first Si site, Si(1) is bonded to one N(1), one N(2), one N(4), and one O(7) atom to form corner-sharing SiN3O tetrahedra. In the second Si site, Si(2) is bonded to one N(3), one N(4), one N(5), and one O(5) atom to form corner-sharing SiN3O tetrahedra. In the third Si site, Si(3) is bonded to one N(1), one N(5), one N(6), and one O(1) atom to form corner-sharing SiN3O tetrahedra. In the fourth Si site, Si(4) is bonded to one N(4), one N(6), one N(7), and one O(2) atom to form corner-sharing SiN3O tetrahedra. In the fifth Si site, Si(5) is bonded to one N(1), one N(3), one N(8), and one O(3) atom to form corner-sharing SiN3O tetrahedra. In the sixth Si site, Si(6) is bonded to one N(2), one N(6), one N(8), and one O(8) atom to form corner-sharing SiN3O tetrahedra. In the seventh Si site, Si(7) is bonded to one N(5), one N(7), one N(8), and one O(6) atom to form corner-sharing SiN3O tetrahedra. In the eighth Si site, Si(8) is bonded to one N(2), one N(3), one N(7), and one O(4) atom to form corner-sharing SiN3O tetrahedra. There are eight inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Si(1), one Si(3), and one Si(5) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Si(1), one Si(6), and one Si(8) atom. In the third N site, N(3) is bonded in a distorted trigonal planar geometry to one Sr(1), one Si(2), one Si(5), and one Si(8) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Si(1), one Si(2), and one Si(4) atom. In the fifth N site, N(5) is bonded in a trigonal planar geometry to one Ba(1), one Si(2), one Si(3), and one Si(7) atom. In the sixth N site, N(6) is bonded in a distorted trigonal planar geometry to one Ba(2), one Si(3), one Si(4), and one Si(6) atom. In the seventh N site, N(7) is bonded in a trigonal planar geometry to one Si(4), one Si(7), and one Si(8) atom. In the eighth N site, N(8) is bonded in a trigonal planar geometry to one Si(5), one Si(6), and one Si(7) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Sr(1), one Sr(2), and one Si(3) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ba(2), one Sr(2), and one Si(4) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ba(1), one Sr(1), and one Si(5) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), one Sr(1), one Sr(2), and one Si(8) atom. In the fifth O site, O(5) is bonded in a 1-coordinate geometry to one Ba(1), one Ba(2), one Sr(1), and one Si(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ba(1), one Sr(1), and one Si(7) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ba(2), one Sr(2), and one Si(1) atom. In the eighth O site, O(8) is bonded in a 1-coordinate geometry to one Ba(1), one Ba(2), one Sr(1), one Sr(2), and one Si(6) atom. is represented by the CIF file [CIF]
data_BaSrSi4(NO)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.349
_cell_length_b   7.396
_cell_length_c   7.448
_cell_angle_alpha   87.990
_cell_angle_beta   76.703
_cell_angle_gamma   83.394
_symmetry_Int_Tables_number   1
_cell_volume   391.396
_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
  Ba  Ba0  1  0.704  0.822  0.791  1.0
  Ba  Ba1  1  0.708  0.314  0.758  1.0
  Sr  Sr2  1  0.212  0.813  0.749  1.0
  Sr  Sr3  1  0.202  0.314  0.785  1.0
  Si  Si4  1  0.374  0.401  0.214  1.0
  Si  Si5  1  0.579  0.646  0.406  1.0
  Si  Si6  1  0.990  0.554  0.415  1.0
  Si  Si7  1  0.787  0.304  0.217  1.0
  Si  Si8  1  0.279  0.807  0.215  1.0
  Si  Si9  1  0.084  0.147  0.414  1.0
  Si  Si10  1  0.878  0.899  0.219  1.0
  Si  Si11  1  0.486  0.056  0.411  1.0
  N  N12  1  0.206  0.590  0.274  1.0
  N  N13  1  0.308  0.220  0.367  1.0
  N  N14  1  0.431  0.840  0.362  1.0
  N  N15  1  0.584  0.464  0.262  1.0
  N  N16  1  0.807  0.715  0.371  1.0
  N  N17  1  0.929  0.337  0.373  1.0
  N  N18  1  0.706  0.088  0.272  1.0
  N  N19  1  0.078  0.963  0.279  1.0
  O  O20  1  0.996  0.560  0.635  1.0
  O  O21  1  0.904  0.315  0.006  1.0
  O  O22  1  0.377  0.824  0.999  1.0
  O  O23  1  0.479  0.066  0.634  1.0
  O  O24  1  0.507  0.590  0.625  1.0
  O  O25  1  0.926  0.838  0.006  1.0
  O  O26  1  0.399  0.342  0.003  1.0
  O  O27  1  0.030  0.088  0.634  1.0
[/CIF]
.
The compound described by BaSrSi4(NO)4 crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to one N(5), one O(1), one O(3), one O(4), one O(5), one O(6), and one O(8) atom. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one N(6), one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 7-coordinate geometry to one N(3), one O(1), one O(3), one O(4), one O(5), one O(6), and one O(8) atom. In the second Sr site, Sr(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), one O(7), and one O(8) atom. There are eight inequivalent Si sites. In the first Si site, Si(1) is bonded to one N(1), one N(2), one N(4), and one O(7) atom to form corner-sharing SiN3O tetrahedra. In the second Si site, Si(2) is bonded to one N(3), one N(4), one N(5), and one O(5) atom to form corner-sharing SiN3O tetrahedra. In the third Si site, Si(3) is bonded to one N(1), one N(5), one N(6), and one O(1) atom to form corner-sharing SiN3O tetrahedra. In the fourth Si site, Si(4) is bonded to one N(4), one N(6), one N(7), and one O(2) atom to form corner-sharing SiN3O tetrahedra. In the fifth Si site, Si(5) is bonded to one N(1), one N(3), one N(8), and one O(3) atom to form corner-sharing SiN3O tetrahedra. In the sixth Si site, Si(6) is bonded to one N(2), one N(6), one N(8), and one O(8) atom to form corner-sharing SiN3O tetrahedra. In the seventh Si site, Si(7) is bonded to one N(5), one N(7), one N(8), and one O(6) atom to form corner-sharing SiN3O tetrahedra. In the eighth Si site, Si(8) is bonded to one N(2), one N(3), one N(7), and one O(4) atom to form corner-sharing SiN3O tetrahedra. There are eight inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Si(1), one Si(3), and one Si(5) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Si(1), one Si(6), and one Si(8) atom. In the third N site, N(3) is bonded in a distorted trigonal planar geometry to one Sr(1), one Si(2), one Si(5), and one Si(8) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Si(1), one Si(2), and one Si(4) atom. In the fifth N site, N(5) is bonded in a trigonal planar geometry to one Ba(1), one Si(2), one Si(3), and one Si(7) atom. In the sixth N site, N(6) is bonded in a distorted trigonal planar geometry to one Ba(2), one Si(3), one Si(4), and one Si(6) atom. In the seventh N site, N(7) is bonded in a trigonal planar geometry to one Si(4), one Si(7), and one Si(8) atom. In the eighth N site, N(8) is bonded in a trigonal planar geometry to one Si(5), one Si(6), and one Si(7) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Sr(1), one Sr(2), and one Si(3) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ba(2), one Sr(2), and one Si(4) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ba(1), one Sr(1), and one Si(5) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), one Sr(1), one Sr(2), and one Si(8) atom. In the fifth O site, O(5) is bonded in a 1-coordinate geometry to one Ba(1), one Ba(2), one Sr(1), and one Si(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ba(1), one Sr(1), and one Si(7) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ba(2), one Sr(2), and one Si(1) atom. In the eighth O site, O(8) is bonded in a 1-coordinate geometry to one Ba(1), one Ba(2), one Sr(1), one Sr(2), and one Si(6) atom. is represented by the CIF file [CIF]
data_BaSrSi4(NO)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.349
_cell_length_b   7.396
_cell_length_c   7.448
_cell_angle_alpha   87.990
_cell_angle_beta   76.703
_cell_angle_gamma   83.394
_symmetry_Int_Tables_number   1
_cell_volume   391.396
_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
  Ba  Ba0  1  0.704  0.822  0.791  1.0
  Ba  Ba1  1  0.708  0.314  0.758  1.0
  Sr  Sr2  1  0.212  0.813  0.749  1.0
  Sr  Sr3  1  0.202  0.314  0.785  1.0
  Si  Si4  1  0.374  0.401  0.214  1.0
  Si  Si5  1  0.579  0.646  0.406  1.0
  Si  Si6  1  0.990  0.554  0.415  1.0
  Si  Si7  1  0.787  0.304  0.217  1.0
  Si  Si8  1  0.279  0.807  0.215  1.0
  Si  Si9  1  0.084  0.147  0.414  1.0
  Si  Si10  1  0.878  0.899  0.219  1.0
  Si  Si11  1  0.486  0.056  0.411  1.0
  N  N12  1  0.206  0.590  0.274  1.0
  N  N13  1  0.308  0.220  0.367  1.0
  N  N14  1  0.431  0.840  0.362  1.0
  N  N15  1  0.584  0.464  0.262  1.0
  N  N16  1  0.807  0.715  0.371  1.0
  N  N17  1  0.929  0.337  0.373  1.0
  N  N18  1  0.706  0.088  0.272  1.0
  N  N19  1  0.078  0.963  0.279  1.0
  O  O20  1  0.996  0.560  0.635  1.0
  O  O21  1  0.904  0.315  0.006  1.0
  O  O22  1  0.377  0.824  0.999  1.0
  O  O23  1  0.479  0.066  0.634  1.0
  O  O24  1  0.507  0.590  0.625  1.0
  O  O25  1  0.926  0.838  0.006  1.0
  O  O26  1  0.399  0.342  0.003  1.0
  O  O27  1  0.030  0.088  0.634  1.0
[/CIF]
.