The material described by Mn12Rh4N crystallizes in the monoclinic P2/m space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted single-bond geometry to two equivalent Rh(1), two equivalent Rh(2), and one N(1) atom. In the second Mn site, Mn(2) is bonded to two equivalent Mn(4), six equivalent Mn(3), two equivalent Rh(1), and two equivalent Rh(2) atoms to form distorted MnMn8Rh4 cuboctahedra that share corners with two equivalent Mn(2)Mn8Rh4 cuboctahedra, corners with four equivalent Rh(2)Mn12 cuboctahedra, corners with two equivalent N(1)Mn6 octahedra, edges with two equivalent Rh(1)Mn12 cuboctahedra, edges with four equivalent Rh(2)Mn12 cuboctahedra, faces with two equivalent Rh(1)Mn12 cuboctahedra, faces with two equivalent Rh(2)Mn12 cuboctahedra, and faces with four equivalent Mn(2)Mn8Rh4 cuboctahedra. The corner-sharing octahedral tilt angles are 46°. In the third Mn site, Mn(3) is bonded in a 4-coordinate geometry to three equivalent Mn(2), one Rh(1), and three equivalent Rh(2) atoms. In the fourth Mn site, Mn(4) is bonded in a distorted single-bond geometry to one Mn(2), one Rh(2), three equivalent Rh(1), and one N(1) atom. There are two inequivalent Rh sites. In the first Rh site, Rh(1) is bonded to two equivalent Mn(1), two equivalent Mn(2), two equivalent Mn(3), and six equivalent Mn(4) atoms to form RhMn12 cuboctahedra that share corners with two equivalent Rh(1)Mn12 cuboctahedra, corners with four equivalent Rh(2)Mn12 cuboctahedra, corners with two equivalent N(1)Mn6 octahedra, edges with two equivalent Mn(2)Mn8Rh4 cuboctahedra, faces with two equivalent Mn(2)Mn8Rh4 cuboctahedra, faces with four equivalent Rh(1)Mn12 cuboctahedra, faces with four equivalent Rh(2)Mn12 cuboctahedra, and faces with two equivalent N(1)Mn6 octahedra. The corner-sharing octahedral tilt angles are 19°. In the second Rh site, Rh(2) is bonded to two equivalent Mn(1), two equivalent Mn(2), two equivalent Mn(4), and six equivalent Mn(3) atoms to form RhMn12 cuboctahedra that share corners with two equivalent Rh(2)Mn12 cuboctahedra, corners with four equivalent Mn(2)Mn8Rh4 cuboctahedra, corners with four equivalent Rh(1)Mn12 cuboctahedra,  a cornercorner with one N(1)Mn6 octahedra, edges with four equivalent Mn(2)Mn8Rh4 cuboctahedra, faces with two equivalent Mn(2)Mn8Rh4 cuboctahedra, faces with four equivalent Rh(1)Mn12 cuboctahedra, faces with four equivalent Rh(2)Mn12 cuboctahedra, and  a faceface with one N(1)Mn6 octahedra. The corner-sharing octahedral tilt angles are 18°. N(1) is bonded to two equivalent Mn(1) and four equivalent Mn(4) atoms to form NMn6 octahedra that share corners with two equivalent Rh(2)Mn12 cuboctahedra, corners with four equivalent Mn(2)Mn8Rh4 cuboctahedra, corners with four equivalent Rh(1)Mn12 cuboctahedra, faces with two equivalent Rh(2)Mn12 cuboctahedra, and faces with four equivalent Rh(1)Mn12 cuboctahedra. is represented by the CIF card [CIF]
data_Mn12Rh4N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.118
_cell_length_b   5.225
_cell_length_c   9.038
_cell_angle_alpha   89.995
_cell_angle_beta   90.041
_cell_angle_gamma   89.988
_symmetry_Int_Tables_number   1
_cell_volume   194.448
_cell_formula_units_Z   1
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  0.763  1.000  0.170  1.0
  Mn  Mn1  1  0.752  0.500  0.658  1.0
  Mn  Mn2  1  0.751  0.734  0.422  1.0
  Mn  Mn3  1  0.764  0.258  0.914  1.0
  Mn  Mn4  1  0.751  0.267  0.422  1.0
  Mn  Mn5  1  0.764  0.742  0.914  1.0
  Mn  Mn6  1  0.248  0.500  0.342  1.0
  Mn  Mn7  1  0.237  0.000  0.830  1.0
  Mn  Mn8  1  0.236  0.742  0.086  1.0
  Mn  Mn9  1  0.249  0.266  0.578  1.0
  Mn  Mn10  1  0.236  0.258  0.086  1.0
  Mn  Mn11  1  0.249  0.733  0.578  1.0
  Rh  Rh12  1  0.744  0.500  0.172  1.0
  Rh  Rh13  1  0.748  1.000  0.662  1.0
  Rh  Rh14  1  0.252  0.000  0.338  1.0
  Rh  Rh15  1  0.256  0.500  0.828  1.0
  N  N16  1  0.500  0.000  0.000  1.0
[/CIF]
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The material described by Mn12Rh4N crystallizes in the monoclinic P2/m space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted single-bond geometry to two equivalent Rh(1), two equivalent Rh(2), and one N(1) atom. In the second Mn site, Mn(2) is bonded to two equivalent Mn(4), six equivalent Mn(3), two equivalent Rh(1), and two equivalent Rh(2) atoms to form distorted MnMn8Rh4 cuboctahedra that share corners with two equivalent Mn(2)Mn8Rh4 cuboctahedra, corners with four equivalent Rh(2)Mn12 cuboctahedra, corners with two equivalent N(1)Mn6 octahedra, edges with two equivalent Rh(1)Mn12 cuboctahedra, edges with four equivalent Rh(2)Mn12 cuboctahedra, faces with two equivalent Rh(1)Mn12 cuboctahedra, faces with two equivalent Rh(2)Mn12 cuboctahedra, and faces with four equivalent Mn(2)Mn8Rh4 cuboctahedra. The corner-sharing octahedral tilt angles are 46°. In the third Mn site, Mn(3) is bonded in a 4-coordinate geometry to three equivalent Mn(2), one Rh(1), and three equivalent Rh(2) atoms. In the fourth Mn site, Mn(4) is bonded in a distorted single-bond geometry to one Mn(2), one Rh(2), three equivalent Rh(1), and one N(1) atom. There are two inequivalent Rh sites. In the first Rh site, Rh(1) is bonded to two equivalent Mn(1), two equivalent Mn(2), two equivalent Mn(3), and six equivalent Mn(4) atoms to form RhMn12 cuboctahedra that share corners with two equivalent Rh(1)Mn12 cuboctahedra, corners with four equivalent Rh(2)Mn12 cuboctahedra, corners with two equivalent N(1)Mn6 octahedra, edges with two equivalent Mn(2)Mn8Rh4 cuboctahedra, faces with two equivalent Mn(2)Mn8Rh4 cuboctahedra, faces with four equivalent Rh(1)Mn12 cuboctahedra, faces with four equivalent Rh(2)Mn12 cuboctahedra, and faces with two equivalent N(1)Mn6 octahedra. The corner-sharing octahedral tilt angles are 19°. In the second Rh site, Rh(2) is bonded to two equivalent Mn(1), two equivalent Mn(2), two equivalent Mn(4), and six equivalent Mn(3) atoms to form RhMn12 cuboctahedra that share corners with two equivalent Rh(2)Mn12 cuboctahedra, corners with four equivalent Mn(2)Mn8Rh4 cuboctahedra, corners with four equivalent Rh(1)Mn12 cuboctahedra,  a cornercorner with one N(1)Mn6 octahedra, edges with four equivalent Mn(2)Mn8Rh4 cuboctahedra, faces with two equivalent Mn(2)Mn8Rh4 cuboctahedra, faces with four equivalent Rh(1)Mn12 cuboctahedra, faces with four equivalent Rh(2)Mn12 cuboctahedra, and  a faceface with one N(1)Mn6 octahedra. The corner-sharing octahedral tilt angles are 18°. N(1) is bonded to two equivalent Mn(1) and four equivalent Mn(4) atoms to form NMn6 octahedra that share corners with two equivalent Rh(2)Mn12 cuboctahedra, corners with four equivalent Mn(2)Mn8Rh4 cuboctahedra, corners with four equivalent Rh(1)Mn12 cuboctahedra, faces with two equivalent Rh(2)Mn12 cuboctahedra, and faces with four equivalent Rh(1)Mn12 cuboctahedra. is represented by the CIF card [CIF]
data_Mn12Rh4N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.118
_cell_length_b   5.225
_cell_length_c   9.038
_cell_angle_alpha   89.995
_cell_angle_beta   90.041
_cell_angle_gamma   89.988
_symmetry_Int_Tables_number   1
_cell_volume   194.448
_cell_formula_units_Z   1
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  0.763  1.000  0.170  1.0
  Mn  Mn1  1  0.752  0.500  0.658  1.0
  Mn  Mn2  1  0.751  0.734  0.422  1.0
  Mn  Mn3  1  0.764  0.258  0.914  1.0
  Mn  Mn4  1  0.751  0.267  0.422  1.0
  Mn  Mn5  1  0.764  0.742  0.914  1.0
  Mn  Mn6  1  0.248  0.500  0.342  1.0
  Mn  Mn7  1  0.237  0.000  0.830  1.0
  Mn  Mn8  1  0.236  0.742  0.086  1.0
  Mn  Mn9  1  0.249  0.266  0.578  1.0
  Mn  Mn10  1  0.236  0.258  0.086  1.0
  Mn  Mn11  1  0.249  0.733  0.578  1.0
  Rh  Rh12  1  0.744  0.500  0.172  1.0
  Rh  Rh13  1  0.748  1.000  0.662  1.0
  Rh  Rh14  1  0.252  0.000  0.338  1.0
  Rh  Rh15  1  0.256  0.500  0.828  1.0
  N  N16  1  0.500  0.000  0.000  1.0
[/CIF]
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