The material described by Cd7SiN6 is Ilmenite-like structured and crystallizes in the orthorhombic Cmcm space group. There are three inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to two equivalent N(2) and two equivalent N(3) atoms to form distorted CdN4 trigonal pyramids that share corners with two equivalent Si(1)N4 tetrahedra, corners with eight equivalent Cd(2)N4 tetrahedra, edges with two equivalent Cd(2)N4 tetrahedra, and edges with two equivalent Cd(1)N4 trigonal pyramids. In the second Cd site, Cd(2) is bonded to one N(1), one N(3), and two equivalent N(2) atoms to form distorted CdN4 tetrahedra that share corners with two equivalent Si(1)N4 tetrahedra, corners with six equivalent Cd(2)N4 tetrahedra, corners with four equivalent Cd(1)N4 trigonal pyramids,  an edgeedge with one Cd(2)N4 tetrahedra, and  an edgeedge with one Cd(1)N4 trigonal pyramid. In the third Cd site, Cd(3) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent N(3) atoms. Si(1) is bonded to two equivalent N(1) and two equivalent N(3) atoms to form SiN4 tetrahedra that share corners with eight equivalent Cd(2)N4 tetrahedra and corners with four equivalent Cd(1)N4 trigonal pyramids. There are three inequivalent N sites. In the first N site, N(1) is bonded to one Cd(3), two equivalent Cd(2), and one Si(1) atom to form distorted NCd3Si tetrahedra that share corners with four equivalent N(2)Cd6 pentagonal pyramids and  an edgeedge with one N(1)Cd3Si tetrahedra. In the second N site, N(2) is bonded to two equivalent Cd(1) and four equivalent Cd(2) atoms to form distorted NCd6 pentagonal pyramids that share corners with four equivalent N(1)Cd3Si tetrahedra and edges with three equivalent N(2)Cd6 pentagonal pyramids. In the third N site, N(3) is bonded in a 6-coordinate geometry to one Cd(3), two equivalent Cd(1), two equivalent Cd(2), and one Si(1) atom. is represented by the CIF card [CIF]
data_Cd7SiN6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.924
_cell_length_b   5.924
_cell_length_c   13.532
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.689
_symmetry_Int_Tables_number   1
_cell_volume   412.575
_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  0.747  0.747  0.966  1.0
  Cd  Cd1  1  0.253  0.253  0.466  1.0
  Cd  Cd2  1  0.253  0.253  0.034  1.0
  Cd  Cd3  1  0.747  0.747  0.534  1.0
  Cd  Cd4  1  0.980  0.418  0.621  1.0
  Cd  Cd5  1  0.020  0.582  0.121  1.0
  Cd  Cd6  1  0.582  0.020  0.379  1.0
  Cd  Cd7  1  0.418  0.980  0.879  1.0
  Cd  Cd8  1  0.020  0.582  0.379  1.0
  Cd  Cd9  1  0.980  0.418  0.879  1.0
  Cd  Cd10  1  0.418  0.980  0.621  1.0
  Cd  Cd11  1  0.582  0.020  0.121  1.0
  Cd  Cd12  1  0.408  0.408  0.750  1.0
  Cd  Cd13  1  0.592  0.592  0.250  1.0
  Si  Si14  1  0.893  0.893  0.750  1.0
  Si  Si15  1  0.107  0.107  0.250  1.0
  N  N16  1  0.851  0.573  0.750  1.0
  N  N17  1  0.149  0.427  0.250  1.0
  N  N18  1  0.427  0.149  0.250  1.0
  N  N19  1  0.573  0.851  0.750  1.0
  N  N20  1  0.669  0.331  0.500  1.0
  N  N21  1  0.331  0.669  0.000  1.0
  N  N22  1  0.331  0.669  0.500  1.0
  N  N23  1  0.669  0.331  0.000  1.0
  N  N24  1  0.069  0.069  0.643  1.0
  N  N25  1  0.931  0.931  0.143  1.0
  N  N26  1  0.931  0.931  0.357  1.0
  N  N27  1  0.069  0.069  0.857  1.0
[/CIF]
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The material described by Cd7SiN6 is Ilmenite-like structured and crystallizes in the orthorhombic Cmcm space group. There are three inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to two equivalent N(2) and two equivalent N(3) atoms to form distorted CdN4 trigonal pyramids that share corners with two equivalent Si(1)N4 tetrahedra, corners with eight equivalent Cd(2)N4 tetrahedra, edges with two equivalent Cd(2)N4 tetrahedra, and edges with two equivalent Cd(1)N4 trigonal pyramids. In the second Cd site, Cd(2) is bonded to one N(1), one N(3), and two equivalent N(2) atoms to form distorted CdN4 tetrahedra that share corners with two equivalent Si(1)N4 tetrahedra, corners with six equivalent Cd(2)N4 tetrahedra, corners with four equivalent Cd(1)N4 trigonal pyramids,  an edgeedge with one Cd(2)N4 tetrahedra, and  an edgeedge with one Cd(1)N4 trigonal pyramid. In the third Cd site, Cd(3) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent N(3) atoms. Si(1) is bonded to two equivalent N(1) and two equivalent N(3) atoms to form SiN4 tetrahedra that share corners with eight equivalent Cd(2)N4 tetrahedra and corners with four equivalent Cd(1)N4 trigonal pyramids. There are three inequivalent N sites. In the first N site, N(1) is bonded to one Cd(3), two equivalent Cd(2), and one Si(1) atom to form distorted NCd3Si tetrahedra that share corners with four equivalent N(2)Cd6 pentagonal pyramids and  an edgeedge with one N(1)Cd3Si tetrahedra. In the second N site, N(2) is bonded to two equivalent Cd(1) and four equivalent Cd(2) atoms to form distorted NCd6 pentagonal pyramids that share corners with four equivalent N(1)Cd3Si tetrahedra and edges with three equivalent N(2)Cd6 pentagonal pyramids. In the third N site, N(3) is bonded in a 6-coordinate geometry to one Cd(3), two equivalent Cd(1), two equivalent Cd(2), and one Si(1) atom. is represented by the CIF card [CIF]
data_Cd7SiN6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.924
_cell_length_b   5.924
_cell_length_c   13.532
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.689
_symmetry_Int_Tables_number   1
_cell_volume   412.575
_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  0.747  0.747  0.966  1.0
  Cd  Cd1  1  0.253  0.253  0.466  1.0
  Cd  Cd2  1  0.253  0.253  0.034  1.0
  Cd  Cd3  1  0.747  0.747  0.534  1.0
  Cd  Cd4  1  0.980  0.418  0.621  1.0
  Cd  Cd5  1  0.020  0.582  0.121  1.0
  Cd  Cd6  1  0.582  0.020  0.379  1.0
  Cd  Cd7  1  0.418  0.980  0.879  1.0
  Cd  Cd8  1  0.020  0.582  0.379  1.0
  Cd  Cd9  1  0.980  0.418  0.879  1.0
  Cd  Cd10  1  0.418  0.980  0.621  1.0
  Cd  Cd11  1  0.582  0.020  0.121  1.0
  Cd  Cd12  1  0.408  0.408  0.750  1.0
  Cd  Cd13  1  0.592  0.592  0.250  1.0
  Si  Si14  1  0.893  0.893  0.750  1.0
  Si  Si15  1  0.107  0.107  0.250  1.0
  N  N16  1  0.851  0.573  0.750  1.0
  N  N17  1  0.149  0.427  0.250  1.0
  N  N18  1  0.427  0.149  0.250  1.0
  N  N19  1  0.573  0.851  0.750  1.0
  N  N20  1  0.669  0.331  0.500  1.0
  N  N21  1  0.331  0.669  0.000  1.0
  N  N22  1  0.331  0.669  0.500  1.0
  N  N23  1  0.669  0.331  0.000  1.0
  N  N24  1  0.069  0.069  0.643  1.0
  N  N25  1  0.931  0.931  0.143  1.0
  N  N26  1  0.931  0.931  0.357  1.0
  N  N27  1  0.069  0.069  0.857  1.0
[/CIF]
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