The compound described by Mn(CdN)4 is Chalcostibite-like structured and crystallizes in the triclinic P-1 space group. Mn(1) is bonded to one N(1), one N(2), one N(3), and one N(4) atom to form MnN4 tetrahedra that share corners with four equivalent Cd(2)N4 tetrahedra. There are four inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a trigonal planar geometry to one N(1), one N(2), and one N(4) atom. In the second Cd site, Cd(2) is bonded to two equivalent N(2) and two equivalent N(3) atoms to form distorted CdN4 tetrahedra that share corners with four equivalent Mn(1)N4 tetrahedra and edges with two equivalent Cd(2)N4 tetrahedra. In the third Cd site, Cd(3) is bonded in a distorted trigonal non-coplanar geometry to one N(3) and two equivalent N(4) atoms. In the fourth Cd site, Cd(4) is bonded in a distorted trigonal non-coplanar geometry to one N(3) and two equivalent N(1) atoms. There are four inequivalent N sites. In the first N site, N(1) is bonded to one Mn(1), one Cd(1), and two equivalent Cd(4) atoms to form a mixture of distorted corner and edge-sharing NMnCd3 tetrahedra. In the second N site, N(2) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), one Cd(1), and two equivalent Cd(2) atoms. In the third N site, N(3) is bonded in a 5-coordinate geometry to one Mn(1), one Cd(3), one Cd(4), and two equivalent Cd(2) atoms. In the fourth N site, N(4) is bonded to one Mn(1), one Cd(1), and two equivalent Cd(3) atoms to form a mixture of distorted corner and edge-sharing NMnCd3 tetrahedra. is represented by the CIF file [CIF]
data_Mn(CdN)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.281
_cell_length_b   6.254
_cell_length_c   9.016
_cell_angle_alpha   66.614
_cell_angle_beta   89.059
_cell_angle_gamma   62.845
_symmetry_Int_Tables_number   1
_cell_volume   283.261
_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
  Mn  Mn0  1  0.693  0.922  0.773  1.0
  Mn  Mn1  1  0.307  0.078  0.227  1.0
  Cd  Cd2  1  0.827  0.616  0.209  1.0
  Cd  Cd3  1  0.173  0.384  0.791  1.0
  Cd  Cd4  1  0.743  0.258  0.001  1.0
  Cd  Cd5  1  0.257  0.742  0.999  1.0
  Cd  Cd6  1  0.671  0.527  0.621  1.0
  Cd  Cd7  1  0.329  0.473  0.379  1.0
  Cd  Cd8  1  0.147  0.052  0.621  1.0
  Cd  Cd9  1  0.853  0.948  0.379  1.0
  N  N10  1  0.914  0.828  0.659  1.0
  N  N11  1  0.086  0.172  0.341  1.0
  N  N12  1  0.832  0.880  0.953  1.0
  N  N13  1  0.168  0.120  0.047  1.0
  N  N14  1  0.536  0.728  0.806  1.0
  N  N15  1  0.464  0.272  0.194  1.0
  N  N16  1  0.518  0.742  0.341  1.0
  N  N17  1  0.482  0.258  0.659  1.0
[/CIF]
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The compound described by Mn(CdN)4 is Chalcostibite-like structured and crystallizes in the triclinic P-1 space group. Mn(1) is bonded to one N(1), one N(2), one N(3), and one N(4) atom to form MnN4 tetrahedra that share corners with four equivalent Cd(2)N4 tetrahedra. There are four inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a trigonal planar geometry to one N(1), one N(2), and one N(4) atom. In the second Cd site, Cd(2) is bonded to two equivalent N(2) and two equivalent N(3) atoms to form distorted CdN4 tetrahedra that share corners with four equivalent Mn(1)N4 tetrahedra and edges with two equivalent Cd(2)N4 tetrahedra. In the third Cd site, Cd(3) is bonded in a distorted trigonal non-coplanar geometry to one N(3) and two equivalent N(4) atoms. In the fourth Cd site, Cd(4) is bonded in a distorted trigonal non-coplanar geometry to one N(3) and two equivalent N(1) atoms. There are four inequivalent N sites. In the first N site, N(1) is bonded to one Mn(1), one Cd(1), and two equivalent Cd(4) atoms to form a mixture of distorted corner and edge-sharing NMnCd3 tetrahedra. In the second N site, N(2) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), one Cd(1), and two equivalent Cd(2) atoms. In the third N site, N(3) is bonded in a 5-coordinate geometry to one Mn(1), one Cd(3), one Cd(4), and two equivalent Cd(2) atoms. In the fourth N site, N(4) is bonded to one Mn(1), one Cd(1), and two equivalent Cd(3) atoms to form a mixture of distorted corner and edge-sharing NMnCd3 tetrahedra. is represented by the CIF file [CIF]
data_Mn(CdN)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.281
_cell_length_b   6.254
_cell_length_c   9.016
_cell_angle_alpha   66.614
_cell_angle_beta   89.059
_cell_angle_gamma   62.845
_symmetry_Int_Tables_number   1
_cell_volume   283.261
_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
  Mn  Mn0  1  0.693  0.922  0.773  1.0
  Mn  Mn1  1  0.307  0.078  0.227  1.0
  Cd  Cd2  1  0.827  0.616  0.209  1.0
  Cd  Cd3  1  0.173  0.384  0.791  1.0
  Cd  Cd4  1  0.743  0.258  0.001  1.0
  Cd  Cd5  1  0.257  0.742  0.999  1.0
  Cd  Cd6  1  0.671  0.527  0.621  1.0
  Cd  Cd7  1  0.329  0.473  0.379  1.0
  Cd  Cd8  1  0.147  0.052  0.621  1.0
  Cd  Cd9  1  0.853  0.948  0.379  1.0
  N  N10  1  0.914  0.828  0.659  1.0
  N  N11  1  0.086  0.172  0.341  1.0
  N  N12  1  0.832  0.880  0.953  1.0
  N  N13  1  0.168  0.120  0.047  1.0
  N  N14  1  0.536  0.728  0.806  1.0
  N  N15  1  0.464  0.272  0.194  1.0
  N  N16  1  0.518  0.742  0.341  1.0
  N  N17  1  0.482  0.258  0.659  1.0
[/CIF]
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