The compound described by Zn5(SiN3)2 crystallizes in the tetragonal P-4b2 space group. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 3-coordinate geometry to one N(1), one N(2), and one N(3) atom. In the second Zn site, Zn(2) is bonded in a 4-coordinate geometry to four equivalent N(1) atoms. In the third Zn site, Zn(3) is bonded in a 3-coordinate geometry to one N(1) and two equivalent N(2) atoms. In the fourth Zn site, Zn(4) is bonded in a linear geometry to two equivalent N(4) atoms. Si(1) is bonded to one N(1), one N(2), one N(3), and one N(4) atom to form corner-sharing SiN4 tetrahedra. There are four inequivalent N sites. In the first N site, N(2) is bonded in a distorted rectangular see-saw-like geometry to one Zn(1), two equivalent Zn(3), and one Si(1) atom. In the second N site, N(3) is bonded in a 4-coordinate geometry to two equivalent Zn(1) and two equivalent Si(1) atoms. In the third N site, N(4) is bonded in a trigonal planar geometry to one Zn(4) and two equivalent Si(1) atoms. In the fourth N site, N(1) is bonded in a distorted see-saw-like geometry to one Zn(1), one Zn(2), one Zn(3), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn5(SiN3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.263
_cell_length_b   11.263
_cell_length_c   5.658
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   717.758
_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
  Zn  Zn0  1  0.229  0.098  0.915  1.0
  Zn  Zn1  1  0.271  0.598  0.915  1.0
  Zn  Zn2  1  0.771  0.902  0.915  1.0
  Zn  Zn3  1  0.729  0.402  0.915  1.0
  Zn  Zn4  1  0.902  0.229  0.085  1.0
  Zn  Zn5  1  0.598  0.729  0.085  1.0
  Zn  Zn6  1  0.098  0.771  0.085  1.0
  Zn  Zn7  1  0.402  0.271  0.085  1.0
  Zn  Zn8  1  0.500  0.000  0.000  1.0
  Zn  Zn9  1  0.000  0.500  0.000  1.0
  Zn  Zn10  1  0.440  0.313  0.598  1.0
  Zn  Zn11  1  0.060  0.813  0.598  1.0
  Zn  Zn12  1  0.560  0.687  0.598  1.0
  Zn  Zn13  1  0.940  0.187  0.598  1.0
  Zn  Zn14  1  0.687  0.440  0.402  1.0
  Zn  Zn15  1  0.813  0.940  0.402  1.0
  Zn  Zn16  1  0.313  0.560  0.402  1.0
  Zn  Zn17  1  0.187  0.060  0.402  1.0
  Zn  Zn18  1  0.500  0.000  0.500  1.0
  Zn  Zn19  1  0.000  0.500  0.500  1.0
  Si  Si20  1  0.619  0.210  0.753  1.0
  Si  Si21  1  0.881  0.710  0.753  1.0
  Si  Si22  1  0.381  0.790  0.753  1.0
  Si  Si23  1  0.119  0.290  0.753  1.0
  Si  Si24  1  0.790  0.619  0.247  1.0
  Si  Si25  1  0.710  0.119  0.247  1.0
  Si  Si26  1  0.210  0.381  0.247  1.0
  Si  Si27  1  0.290  0.881  0.247  1.0
  N  N28  1  0.474  0.178  0.845  1.0
  N  N29  1  0.026  0.678  0.845  1.0
  N  N30  1  0.526  0.822  0.845  1.0
  N  N31  1  0.974  0.322  0.845  1.0
  N  N32  1  0.822  0.474  0.155  1.0
  N  N33  1  0.678  0.974  0.155  1.0
  N  N34  1  0.178  0.526  0.155  1.0
  N  N35  1  0.322  0.026  0.155  1.0
  N  N36  1  0.621  0.359  0.661  1.0
  N  N37  1  0.879  0.859  0.661  1.0
  N  N38  1  0.379  0.641  0.661  1.0
  N  N39  1  0.121  0.141  0.661  1.0
  N  N40  1  0.641  0.621  0.339  1.0
  N  N41  1  0.859  0.121  0.339  1.0
  N  N42  1  0.359  0.379  0.339  1.0
  N  N43  1  0.141  0.879  0.339  1.0
  N  N44  1  0.212  0.288  0.000  1.0
  N  N45  1  0.288  0.788  0.000  1.0
  N  N46  1  0.788  0.712  0.000  1.0
  N  N47  1  0.712  0.212  0.000  1.0
  N  N48  1  0.621  0.121  0.500  1.0
  N  N49  1  0.879  0.621  0.500  1.0
  N  N50  1  0.379  0.879  0.500  1.0
  N  N51  1  0.121  0.379  0.500  1.0
[/CIF]
.
The compound described by Zn5(SiN3)2 crystallizes in the tetragonal P-4b2 space group. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 3-coordinate geometry to one N(1), one N(2), and one N(3) atom. In the second Zn site, Zn(2) is bonded in a 4-coordinate geometry to four equivalent N(1) atoms. In the third Zn site, Zn(3) is bonded in a 3-coordinate geometry to one N(1) and two equivalent N(2) atoms. In the fourth Zn site, Zn(4) is bonded in a linear geometry to two equivalent N(4) atoms. Si(1) is bonded to one N(1), one N(2), one N(3), and one N(4) atom to form corner-sharing SiN4 tetrahedra. There are four inequivalent N sites. In the first N site, N(2) is bonded in a distorted rectangular see-saw-like geometry to one Zn(1), two equivalent Zn(3), and one Si(1) atom. In the second N site, N(3) is bonded in a 4-coordinate geometry to two equivalent Zn(1) and two equivalent Si(1) atoms. In the third N site, N(4) is bonded in a trigonal planar geometry to one Zn(4) and two equivalent Si(1) atoms. In the fourth N site, N(1) is bonded in a distorted see-saw-like geometry to one Zn(1), one Zn(2), one Zn(3), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn5(SiN3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.263
_cell_length_b   11.263
_cell_length_c   5.658
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   717.758
_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
  Zn  Zn0  1  0.229  0.098  0.915  1.0
  Zn  Zn1  1  0.271  0.598  0.915  1.0
  Zn  Zn2  1  0.771  0.902  0.915  1.0
  Zn  Zn3  1  0.729  0.402  0.915  1.0
  Zn  Zn4  1  0.902  0.229  0.085  1.0
  Zn  Zn5  1  0.598  0.729  0.085  1.0
  Zn  Zn6  1  0.098  0.771  0.085  1.0
  Zn  Zn7  1  0.402  0.271  0.085  1.0
  Zn  Zn8  1  0.500  0.000  0.000  1.0
  Zn  Zn9  1  0.000  0.500  0.000  1.0
  Zn  Zn10  1  0.440  0.313  0.598  1.0
  Zn  Zn11  1  0.060  0.813  0.598  1.0
  Zn  Zn12  1  0.560  0.687  0.598  1.0
  Zn  Zn13  1  0.940  0.187  0.598  1.0
  Zn  Zn14  1  0.687  0.440  0.402  1.0
  Zn  Zn15  1  0.813  0.940  0.402  1.0
  Zn  Zn16  1  0.313  0.560  0.402  1.0
  Zn  Zn17  1  0.187  0.060  0.402  1.0
  Zn  Zn18  1  0.500  0.000  0.500  1.0
  Zn  Zn19  1  0.000  0.500  0.500  1.0
  Si  Si20  1  0.619  0.210  0.753  1.0
  Si  Si21  1  0.881  0.710  0.753  1.0
  Si  Si22  1  0.381  0.790  0.753  1.0
  Si  Si23  1  0.119  0.290  0.753  1.0
  Si  Si24  1  0.790  0.619  0.247  1.0
  Si  Si25  1  0.710  0.119  0.247  1.0
  Si  Si26  1  0.210  0.381  0.247  1.0
  Si  Si27  1  0.290  0.881  0.247  1.0
  N  N28  1  0.474  0.178  0.845  1.0
  N  N29  1  0.026  0.678  0.845  1.0
  N  N30  1  0.526  0.822  0.845  1.0
  N  N31  1  0.974  0.322  0.845  1.0
  N  N32  1  0.822  0.474  0.155  1.0
  N  N33  1  0.678  0.974  0.155  1.0
  N  N34  1  0.178  0.526  0.155  1.0
  N  N35  1  0.322  0.026  0.155  1.0
  N  N36  1  0.621  0.359  0.661  1.0
  N  N37  1  0.879  0.859  0.661  1.0
  N  N38  1  0.379  0.641  0.661  1.0
  N  N39  1  0.121  0.141  0.661  1.0
  N  N40  1  0.641  0.621  0.339  1.0
  N  N41  1  0.859  0.121  0.339  1.0
  N  N42  1  0.359  0.379  0.339  1.0
  N  N43  1  0.141  0.879  0.339  1.0
  N  N44  1  0.212  0.288  0.000  1.0
  N  N45  1  0.288  0.788  0.000  1.0
  N  N46  1  0.788  0.712  0.000  1.0
  N  N47  1  0.712  0.212  0.000  1.0
  N  N48  1  0.621  0.121  0.500  1.0
  N  N49  1  0.879  0.621  0.500  1.0
  N  N50  1  0.379  0.879  0.500  1.0
  N  N51  1  0.121  0.379  0.500  1.0
[/CIF]
.