The compound described by CsSrN9 crystallizes in the monoclinic C2/c space group. Cs(1) is bonded in a 10-coordinate geometry to two equivalent N(3), two equivalent N(4), two equivalent N(5), and four equivalent N(1) atoms. Sr(1) is bonded in a 8-coordinate geometry to two equivalent N(1), two equivalent N(3), and four equivalent N(5) atoms. There are five inequivalent N sites. In the first N site, N(1) is bonded in a 2-coordinate geometry to two equivalent Cs(1), one Sr(1), and one N(4) atom. In the second N site, N(2) is bonded in a linear geometry to two equivalent N(3) atoms. In the third N site, N(3) is bonded in a distorted trigonal non-coplanar geometry to one Cs(1), one Sr(1), and one N(2) atom. In the fourth N site, N(4) is bonded in a distorted linear geometry to one Cs(1), one N(1), and one N(5) atom. In the fifth N site, N(5) is bonded in a distorted trigonal planar geometry to one Cs(1), two equivalent Sr(1), and one N(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsSrN9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.975
_cell_length_b   6.975
_cell_length_c   9.121
_cell_angle_alpha   70.664
_cell_angle_beta   70.664
_cell_angle_gamma   95.624
_symmetry_Int_Tables_number   1
_cell_volume   384.197
_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
  Cs  Cs0  1  0.211  0.789  0.750  1.0
  Cs  Cs1  1  0.789  0.211  0.250  1.0
  Sr  Sr2  1  0.761  0.239  0.750  1.0
  Sr  Sr3  1  0.239  0.761  0.250  1.0
  N  N4  1  0.087  0.257  0.850  1.0
  N  N5  1  0.743  0.913  0.650  1.0
  N  N6  1  0.913  0.743  0.150  1.0
  N  N7  1  0.257  0.087  0.350  1.0
  N  N8  1  0.500  0.500  0.000  1.0
  N  N9  1  0.500  0.500  0.500  1.0
  N  N10  1  0.451  0.659  0.451  1.0
  N  N11  1  0.341  0.549  0.049  1.0
  N  N12  1  0.549  0.341  0.549  1.0
  N  N13  1  0.659  0.451  0.951  1.0
  N  N14  1  0.179  0.210  0.398  1.0
  N  N15  1  0.790  0.821  0.102  1.0
  N  N16  1  0.821  0.790  0.602  1.0
  N  N17  1  0.210  0.179  0.898  1.0
  N  N18  1  0.100  0.334  0.444  1.0
  N  N19  1  0.666  0.900  0.056  1.0
  N  N20  1  0.900  0.666  0.556  1.0
  N  N21  1  0.334  0.100  0.944  1.0
[/CIF]
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The compound described by CsSrN9 crystallizes in the monoclinic C2/c space group. Cs(1) is bonded in a 10-coordinate geometry to two equivalent N(3), two equivalent N(4), two equivalent N(5), and four equivalent N(1) atoms. Sr(1) is bonded in a 8-coordinate geometry to two equivalent N(1), two equivalent N(3), and four equivalent N(5) atoms. There are five inequivalent N sites. In the first N site, N(1) is bonded in a 2-coordinate geometry to two equivalent Cs(1), one Sr(1), and one N(4) atom. In the second N site, N(2) is bonded in a linear geometry to two equivalent N(3) atoms. In the third N site, N(3) is bonded in a distorted trigonal non-coplanar geometry to one Cs(1), one Sr(1), and one N(2) atom. In the fourth N site, N(4) is bonded in a distorted linear geometry to one Cs(1), one N(1), and one N(5) atom. In the fifth N site, N(5) is bonded in a distorted trigonal planar geometry to one Cs(1), two equivalent Sr(1), and one N(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsSrN9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.975
_cell_length_b   6.975
_cell_length_c   9.121
_cell_angle_alpha   70.664
_cell_angle_beta   70.664
_cell_angle_gamma   95.624
_symmetry_Int_Tables_number   1
_cell_volume   384.197
_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
  Cs  Cs0  1  0.211  0.789  0.750  1.0
  Cs  Cs1  1  0.789  0.211  0.250  1.0
  Sr  Sr2  1  0.761  0.239  0.750  1.0
  Sr  Sr3  1  0.239  0.761  0.250  1.0
  N  N4  1  0.087  0.257  0.850  1.0
  N  N5  1  0.743  0.913  0.650  1.0
  N  N6  1  0.913  0.743  0.150  1.0
  N  N7  1  0.257  0.087  0.350  1.0
  N  N8  1  0.500  0.500  0.000  1.0
  N  N9  1  0.500  0.500  0.500  1.0
  N  N10  1  0.451  0.659  0.451  1.0
  N  N11  1  0.341  0.549  0.049  1.0
  N  N12  1  0.549  0.341  0.549  1.0
  N  N13  1  0.659  0.451  0.951  1.0
  N  N14  1  0.179  0.210  0.398  1.0
  N  N15  1  0.790  0.821  0.102  1.0
  N  N16  1  0.821  0.790  0.602  1.0
  N  N17  1  0.210  0.179  0.898  1.0
  N  N18  1  0.100  0.334  0.444  1.0
  N  N19  1  0.666  0.900  0.056  1.0
  N  N20  1  0.900  0.666  0.556  1.0
  N  N21  1  0.334  0.100  0.944  1.0
[/CIF]
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