The material described by Cd5(SiN3)2 crystallizes in the monoclinic C2/c space group. There are three inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a bent 150 degrees geometry to two equivalent N(1) atoms. In the second Cd site, Cd(2) is bonded in a 4-coordinate geometry to two equivalent N(2) and two equivalent N(3) atoms. In the third Cd site, Cd(3) is bonded in a distorted T-shaped geometry to one N(3) and two equivalent N(1) atoms. Si(1) is bonded to one N(1), one N(3), and two equivalent N(2) atoms to form edge-sharing SiN4 tetrahedra. There are three inequivalent N sites. In the first N site, N(2) is bonded in a 4-coordinate geometry to two equivalent Cd(2) and two equivalent Si(1) atoms. In the second N site, N(3) is bonded in a 4-coordinate geometry to one Cd(3), two equivalent Cd(2), and one Si(1) atom. In the third N site, N(1) is bonded to one Cd(1), two equivalent Cd(3), and one Si(1) atom to form distorted corner-sharing NCd3Si tetrahedra. is represented by the CIF card [CIF]
data_Cd5(SiN3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.594
_cell_length_b   6.010
_cell_length_c   13.716
_cell_angle_alpha   90.000
_cell_angle_beta   91.167
_cell_angle_gamma   122.488
_symmetry_Int_Tables_number   1
_cell_volume   388.838
_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
  Cd  Cd0  1  0.000  0.630  0.750  1.0
  Cd  Cd1  1  0.000  0.370  0.250  1.0
  Cd  Cd2  1  0.131  0.811  0.981  1.0
  Cd  Cd3  1  0.869  0.680  0.519  1.0
  Cd  Cd4  1  0.869  0.189  0.019  1.0
  Cd  Cd5  1  0.131  0.320  0.481  1.0
  Cd  Cd6  1  0.288  0.233  0.700  1.0
  Cd  Cd7  1  0.712  0.945  0.800  1.0
  Cd  Cd8  1  0.712  0.767  0.300  1.0
  Cd  Cd9  1  0.288  0.055  0.200  1.0
  Si  Si10  1  0.577  0.974  0.585  1.0
  Si  Si11  1  0.423  0.396  0.915  1.0
  Si  Si12  1  0.423  0.026  0.415  1.0
  Si  Si13  1  0.577  0.604  0.085  1.0
  N  N14  1  0.398  0.910  0.694  1.0
  N  N15  1  0.602  0.512  0.806  1.0
  N  N16  1  0.602  0.090  0.306  1.0
  N  N17  1  0.398  0.488  0.194  1.0
  N  N18  1  0.618  0.245  0.515  1.0
  N  N19  1  0.382  0.627  0.985  1.0
  N  N20  1  0.382  0.755  0.485  1.0
  N  N21  1  0.618  0.373  0.015  1.0
  N  N22  1  0.905  0.014  0.608  1.0
  N  N23  1  0.095  0.108  0.892  1.0
  N  N24  1  0.095  0.986  0.392  1.0
  N  N25  1  0.905  0.892  0.108  1.0
[/CIF]
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The material described by Cd5(SiN3)2 crystallizes in the monoclinic C2/c space group. There are three inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a bent 150 degrees geometry to two equivalent N(1) atoms. In the second Cd site, Cd(2) is bonded in a 4-coordinate geometry to two equivalent N(2) and two equivalent N(3) atoms. In the third Cd site, Cd(3) is bonded in a distorted T-shaped geometry to one N(3) and two equivalent N(1) atoms. Si(1) is bonded to one N(1), one N(3), and two equivalent N(2) atoms to form edge-sharing SiN4 tetrahedra. There are three inequivalent N sites. In the first N site, N(2) is bonded in a 4-coordinate geometry to two equivalent Cd(2) and two equivalent Si(1) atoms. In the second N site, N(3) is bonded in a 4-coordinate geometry to one Cd(3), two equivalent Cd(2), and one Si(1) atom. In the third N site, N(1) is bonded to one Cd(1), two equivalent Cd(3), and one Si(1) atom to form distorted corner-sharing NCd3Si tetrahedra. is represented by the CIF card [CIF]
data_Cd5(SiN3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.594
_cell_length_b   6.010
_cell_length_c   13.716
_cell_angle_alpha   90.000
_cell_angle_beta   91.167
_cell_angle_gamma   122.488
_symmetry_Int_Tables_number   1
_cell_volume   388.838
_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
  Cd  Cd0  1  0.000  0.630  0.750  1.0
  Cd  Cd1  1  0.000  0.370  0.250  1.0
  Cd  Cd2  1  0.131  0.811  0.981  1.0
  Cd  Cd3  1  0.869  0.680  0.519  1.0
  Cd  Cd4  1  0.869  0.189  0.019  1.0
  Cd  Cd5  1  0.131  0.320  0.481  1.0
  Cd  Cd6  1  0.288  0.233  0.700  1.0
  Cd  Cd7  1  0.712  0.945  0.800  1.0
  Cd  Cd8  1  0.712  0.767  0.300  1.0
  Cd  Cd9  1  0.288  0.055  0.200  1.0
  Si  Si10  1  0.577  0.974  0.585  1.0
  Si  Si11  1  0.423  0.396  0.915  1.0
  Si  Si12  1  0.423  0.026  0.415  1.0
  Si  Si13  1  0.577  0.604  0.085  1.0
  N  N14  1  0.398  0.910  0.694  1.0
  N  N15  1  0.602  0.512  0.806  1.0
  N  N16  1  0.602  0.090  0.306  1.0
  N  N17  1  0.398  0.488  0.194  1.0
  N  N18  1  0.618  0.245  0.515  1.0
  N  N19  1  0.382  0.627  0.985  1.0
  N  N20  1  0.382  0.755  0.485  1.0
  N  N21  1  0.618  0.373  0.015  1.0
  N  N22  1  0.905  0.014  0.608  1.0
  N  N23  1  0.095  0.108  0.892  1.0
  N  N24  1  0.095  0.986  0.392  1.0
  N  N25  1  0.905  0.892  0.108  1.0
[/CIF]
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