The compound described by Mn4SnN4 crystallizes in the triclinic P-1 space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one N(1), one N(2), one N(3), and two equivalent N(4) atoms. In the second Mn site, Mn(2) is bonded to two equivalent N(2) and two equivalent N(3) atoms to form distorted MnN4 tetrahedra that share corners with two equivalent Mn(3)N5 trigonal bipyramids, corners with two equivalent Mn(4)N5 trigonal bipyramids, edges with two equivalent Mn(2)N4 tetrahedra,  an edgeedge with one Mn(3)N5 trigonal bipyramid, and  an edgeedge with one Mn(4)N5 trigonal bipyramid. In the third Mn site, Mn(3) is bonded to one N(2), one N(3), one N(4), and two equivalent N(1) atoms to form distorted MnN5 trigonal bipyramids that share corners with two equivalent Mn(2)N4 tetrahedra,  an edgeedge with one Mn(2)N4 tetrahedra,  an edgeedge with one Mn(3)N5 trigonal bipyramid, and edges with three equivalent Mn(4)N5 trigonal bipyramids. In the fourth Mn site, Mn(4) is bonded to one N(1), one N(2), one N(3), and two equivalent N(4) atoms to form distorted MnN5 trigonal bipyramids that share corners with two equivalent Mn(2)N4 tetrahedra,  an edgeedge with one Mn(2)N4 tetrahedra,  an edgeedge with one Mn(4)N5 trigonal bipyramid, and edges with three equivalent Mn(3)N5 trigonal bipyramids. Sn(1) is bonded in a 1-coordinate geometry to one N(4) atom. There are four inequivalent N sites. In the first N site, N(1) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Mn(4), and two equivalent Mn(3) atoms. In the second N site, N(2) is bonded in a 5-coordinate geometry to one Mn(1), one Mn(3), one Mn(4), and two equivalent Mn(2) atoms. In the third N site, N(3) is bonded to one Mn(1), one Mn(3), one Mn(4), and two equivalent Mn(2) atoms to form distorted NMn5 square pyramids that share corners with two equivalent N(4)Mn5Sn octahedra,  an edgeedge with one N(3)Mn5 square pyramid, and  a faceface with one N(4)Mn5Sn octahedra. The corner-sharing octahedral tilt angles range from 52-56°. In the fourth N site, N(4) is bonded to one Mn(3), two equivalent Mn(1), two equivalent Mn(4), and one Sn(1) atom to form distorted NMn5Sn octahedra that share corners with two equivalent N(3)Mn5 square pyramids, edges with two equivalent N(4)Mn5Sn octahedra, and  a faceface with one N(3)Mn5 square pyramid. is represented by the CIF card [CIF]
data_Mn4SnN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.615
_cell_length_b   5.864
_cell_length_c   8.498
_cell_angle_alpha   58.090
_cell_angle_beta   65.759
_cell_angle_gamma   55.264
_symmetry_Int_Tables_number   1
_cell_volume   192.761
_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  0.733  0.473  0.320  1.0
  Mn  Mn1  1  0.267  0.527  0.680  1.0
  Mn  Mn2  1  0.740  0.212  0.006  1.0
  Mn  Mn3  1  0.260  0.788  0.994  1.0
  Mn  Mn4  1  0.783  0.488  0.656  1.0
  Mn  Mn5  1  0.217  0.512  0.344  1.0
  Mn  Mn6  1  0.277  0.988  0.649  1.0
  Mn  Mn7  1  0.723  0.012  0.351  1.0
  Sn  Sn8  1  0.738  0.924  0.810  1.0
  Sn  Sn9  1  0.262  0.076  0.190  1.0
  N  N10  1  0.001  0.716  0.510  1.0
  N  N11  1  0.999  0.284  0.490  1.0
  N  N12  1  0.902  0.791  0.160  1.0
  N  N13  1  0.098  0.209  0.840  1.0
  N  N14  1  0.425  0.557  0.840  1.0
  N  N15  1  0.575  0.443  0.160  1.0
  N  N16  1  0.486  0.771  0.481  1.0
  N  N17  1  0.514  0.229  0.519  1.0
[/CIF]
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The compound described by Mn4SnN4 crystallizes in the triclinic P-1 space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one N(1), one N(2), one N(3), and two equivalent N(4) atoms. In the second Mn site, Mn(2) is bonded to two equivalent N(2) and two equivalent N(3) atoms to form distorted MnN4 tetrahedra that share corners with two equivalent Mn(3)N5 trigonal bipyramids, corners with two equivalent Mn(4)N5 trigonal bipyramids, edges with two equivalent Mn(2)N4 tetrahedra,  an edgeedge with one Mn(3)N5 trigonal bipyramid, and  an edgeedge with one Mn(4)N5 trigonal bipyramid. In the third Mn site, Mn(3) is bonded to one N(2), one N(3), one N(4), and two equivalent N(1) atoms to form distorted MnN5 trigonal bipyramids that share corners with two equivalent Mn(2)N4 tetrahedra,  an edgeedge with one Mn(2)N4 tetrahedra,  an edgeedge with one Mn(3)N5 trigonal bipyramid, and edges with three equivalent Mn(4)N5 trigonal bipyramids. In the fourth Mn site, Mn(4) is bonded to one N(1), one N(2), one N(3), and two equivalent N(4) atoms to form distorted MnN5 trigonal bipyramids that share corners with two equivalent Mn(2)N4 tetrahedra,  an edgeedge with one Mn(2)N4 tetrahedra,  an edgeedge with one Mn(4)N5 trigonal bipyramid, and edges with three equivalent Mn(3)N5 trigonal bipyramids. Sn(1) is bonded in a 1-coordinate geometry to one N(4) atom. There are four inequivalent N sites. In the first N site, N(1) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Mn(4), and two equivalent Mn(3) atoms. In the second N site, N(2) is bonded in a 5-coordinate geometry to one Mn(1), one Mn(3), one Mn(4), and two equivalent Mn(2) atoms. In the third N site, N(3) is bonded to one Mn(1), one Mn(3), one Mn(4), and two equivalent Mn(2) atoms to form distorted NMn5 square pyramids that share corners with two equivalent N(4)Mn5Sn octahedra,  an edgeedge with one N(3)Mn5 square pyramid, and  a faceface with one N(4)Mn5Sn octahedra. The corner-sharing octahedral tilt angles range from 52-56°. In the fourth N site, N(4) is bonded to one Mn(3), two equivalent Mn(1), two equivalent Mn(4), and one Sn(1) atom to form distorted NMn5Sn octahedra that share corners with two equivalent N(3)Mn5 square pyramids, edges with two equivalent N(4)Mn5Sn octahedra, and  a faceface with one N(3)Mn5 square pyramid. is represented by the CIF card [CIF]
data_Mn4SnN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.615
_cell_length_b   5.864
_cell_length_c   8.498
_cell_angle_alpha   58.090
_cell_angle_beta   65.759
_cell_angle_gamma   55.264
_symmetry_Int_Tables_number   1
_cell_volume   192.761
_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  0.733  0.473  0.320  1.0
  Mn  Mn1  1  0.267  0.527  0.680  1.0
  Mn  Mn2  1  0.740  0.212  0.006  1.0
  Mn  Mn3  1  0.260  0.788  0.994  1.0
  Mn  Mn4  1  0.783  0.488  0.656  1.0
  Mn  Mn5  1  0.217  0.512  0.344  1.0
  Mn  Mn6  1  0.277  0.988  0.649  1.0
  Mn  Mn7  1  0.723  0.012  0.351  1.0
  Sn  Sn8  1  0.738  0.924  0.810  1.0
  Sn  Sn9  1  0.262  0.076  0.190  1.0
  N  N10  1  0.001  0.716  0.510  1.0
  N  N11  1  0.999  0.284  0.490  1.0
  N  N12  1  0.902  0.791  0.160  1.0
  N  N13  1  0.098  0.209  0.840  1.0
  N  N14  1  0.425  0.557  0.840  1.0
  N  N15  1  0.575  0.443  0.160  1.0
  N  N16  1  0.486  0.771  0.481  1.0
  N  N17  1  0.514  0.229  0.519  1.0
[/CIF]
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