The material structure described by Nd2Mn22C3 crystallizes in the monoclinic C2/m space group. Nd(1) is bonded in a distorted T-shaped geometry to two equivalent Mn(4), four equivalent Mn(7), one C(2), and two equivalent C(1) atoms. There are eight inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 10-coordinate geometry to two equivalent Mn(4), four equivalent Mn(6), and four equivalent Mn(7) atoms. In the second Mn site, Mn(2) is bonded in a 10-coordinate geometry to two equivalent Mn(4), two equivalent Mn(5), two equivalent Mn(6), two equivalent Mn(7), and two equivalent Mn(8) atoms. In the third Mn site, Mn(3) is bonded in a 10-coordinate geometry to two equivalent Mn(4), four equivalent Mn(5), and four equivalent Mn(8) atoms. In the fourth Mn site, Mn(4) is bonded in a 14-coordinate geometry to two equivalent Nd(1), one Mn(1), one Mn(3), two equivalent Mn(2), two equivalent Mn(5), two equivalent Mn(6), two equivalent Mn(7), and two equivalent Mn(8) atoms. In the fifth Mn site, Mn(5) is bonded in a single-bond geometry to one Mn(2), one Mn(3), one Mn(4), one Mn(7), and one C(2) atom. In the sixth Mn site, Mn(6) is bonded in a single-bond geometry to one Mn(1), one Mn(2), one Mn(4), two equivalent Mn(7), and one C(1) atom. In the seventh Mn site, Mn(7) is bonded to two equivalent Nd(1), one Mn(1), one Mn(2), one Mn(4), one Mn(5), two equivalent Mn(6), two equivalent Mn(7), and two equivalent Mn(8) atoms to form distorted MnNd2Mn10 cuboctahedra that share corners with two equivalent Mn(7)Nd2Mn10 cuboctahedra, corners with three equivalent C(1)Nd2Mn4 octahedra, corners with three equivalent C(2)Nd2Mn4 octahedra,  an edgeedge with one C(1)Nd2Mn4 octahedra, faces with four equivalent Mn(7)Nd2Mn10 cuboctahedra, and  a faceface with one C(1)Nd2Mn4 octahedra. The corner-sharing octahedral tilt angles range from 24-71°. In the eighth Mn site, Mn(8) is bonded in a single-bond geometry to one Mn(2), one Mn(3), one Mn(4), two equivalent Mn(7), and one C(1) atom. There are two inequivalent C sites. In the first C site, C(1) is bonded to two equivalent Nd(1), two equivalent Mn(6), and two equivalent Mn(8) atoms to form CNd2Mn4 octahedra that share corners with six equivalent Mn(7)Nd2Mn10 cuboctahedra, corners with two equivalent C(1)Nd2Mn4 octahedra, corners with two equivalent C(2)Nd2Mn4 octahedra, edges with two equivalent Mn(7)Nd2Mn10 cuboctahedra, and faces with two equivalent Mn(7)Nd2Mn10 cuboctahedra. The corner-sharing octahedral tilt angles range from 36-85°. In the second C site, C(2) is bonded to two equivalent Nd(1) and four equivalent Mn(5) atoms to form distorted CNd2Mn4 octahedra that share corners with twelve equivalent Mn(7)Nd2Mn10 cuboctahedra and corners with four equivalent C(1)Nd2Mn4 octahedra. The corner-sharing octahedral tilt angles are 85°. is represented by the CIF card [CIF]
data_Nd2Mn22C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.451
_cell_length_b   7.717
_cell_length_c   7.754
_cell_angle_alpha   99.123
_cell_angle_beta   114.943
_cell_angle_gamma   65.653
_symmetry_Int_Tables_number   1
_cell_volume   318.794
_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
  Nd  Nd0  1  0.375  0.748  0.248  1.0
  Nd  Nd1  1  0.625  0.252  0.752  1.0
  Mn  Mn2  1  0.000  0.500  0.000  1.0
  Mn  Mn3  1  0.000  0.500  0.500  1.0
  Mn  Mn4  1  0.500  0.000  0.000  1.0
  Mn  Mn5  1  0.000  0.000  0.500  1.0
  Mn  Mn6  1  0.130  0.250  0.750  1.0
  Mn  Mn7  1  0.870  0.750  0.250  1.0
  Mn  Mn8  1  0.176  0.178  0.418  1.0
  Mn  Mn9  1  0.436  0.918  0.678  1.0
  Mn  Mn10  1  0.853  0.823  0.921  1.0
  Mn  Mn11  1  0.255  0.421  0.323  1.0
  Mn  Mn12  1  0.186  0.575  0.829  1.0
  Mn  Mn13  1  0.432  0.329  0.075  1.0
  Mn  Mn14  1  0.849  0.088  0.173  1.0
  Mn  Mn15  1  0.265  0.673  0.588  1.0
  Mn  Mn16  1  0.824  0.822  0.582  1.0
  Mn  Mn17  1  0.564  0.082  0.322  1.0
  Mn  Mn18  1  0.147  0.177  0.079  1.0
  Mn  Mn19  1  0.745  0.579  0.677  1.0
  Mn  Mn20  1  0.814  0.425  0.171  1.0
  Mn  Mn21  1  0.568  0.671  0.925  1.0
  Mn  Mn22  1  0.151  0.912  0.827  1.0
  Mn  Mn23  1  0.735  0.327  0.412  1.0
  C  C24  1  0.500  0.500  0.500  1.0
  C  C25  1  0.000  0.000  0.000  1.0
  C  C26  1  0.500  0.000  0.500  1.0
[/CIF]
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The material structure described by Nd2Mn22C3 crystallizes in the monoclinic C2/m space group. Nd(1) is bonded in a distorted T-shaped geometry to two equivalent Mn(4), four equivalent Mn(7), one C(2), and two equivalent C(1) atoms. There are eight inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 10-coordinate geometry to two equivalent Mn(4), four equivalent Mn(6), and four equivalent Mn(7) atoms. In the second Mn site, Mn(2) is bonded in a 10-coordinate geometry to two equivalent Mn(4), two equivalent Mn(5), two equivalent Mn(6), two equivalent Mn(7), and two equivalent Mn(8) atoms. In the third Mn site, Mn(3) is bonded in a 10-coordinate geometry to two equivalent Mn(4), four equivalent Mn(5), and four equivalent Mn(8) atoms. In the fourth Mn site, Mn(4) is bonded in a 14-coordinate geometry to two equivalent Nd(1), one Mn(1), one Mn(3), two equivalent Mn(2), two equivalent Mn(5), two equivalent Mn(6), two equivalent Mn(7), and two equivalent Mn(8) atoms. In the fifth Mn site, Mn(5) is bonded in a single-bond geometry to one Mn(2), one Mn(3), one Mn(4), one Mn(7), and one C(2) atom. In the sixth Mn site, Mn(6) is bonded in a single-bond geometry to one Mn(1), one Mn(2), one Mn(4), two equivalent Mn(7), and one C(1) atom. In the seventh Mn site, Mn(7) is bonded to two equivalent Nd(1), one Mn(1), one Mn(2), one Mn(4), one Mn(5), two equivalent Mn(6), two equivalent Mn(7), and two equivalent Mn(8) atoms to form distorted MnNd2Mn10 cuboctahedra that share corners with two equivalent Mn(7)Nd2Mn10 cuboctahedra, corners with three equivalent C(1)Nd2Mn4 octahedra, corners with three equivalent C(2)Nd2Mn4 octahedra,  an edgeedge with one C(1)Nd2Mn4 octahedra, faces with four equivalent Mn(7)Nd2Mn10 cuboctahedra, and  a faceface with one C(1)Nd2Mn4 octahedra. The corner-sharing octahedral tilt angles range from 24-71°. In the eighth Mn site, Mn(8) is bonded in a single-bond geometry to one Mn(2), one Mn(3), one Mn(4), two equivalent Mn(7), and one C(1) atom. There are two inequivalent C sites. In the first C site, C(1) is bonded to two equivalent Nd(1), two equivalent Mn(6), and two equivalent Mn(8) atoms to form CNd2Mn4 octahedra that share corners with six equivalent Mn(7)Nd2Mn10 cuboctahedra, corners with two equivalent C(1)Nd2Mn4 octahedra, corners with two equivalent C(2)Nd2Mn4 octahedra, edges with two equivalent Mn(7)Nd2Mn10 cuboctahedra, and faces with two equivalent Mn(7)Nd2Mn10 cuboctahedra. The corner-sharing octahedral tilt angles range from 36-85°. In the second C site, C(2) is bonded to two equivalent Nd(1) and four equivalent Mn(5) atoms to form distorted CNd2Mn4 octahedra that share corners with twelve equivalent Mn(7)Nd2Mn10 cuboctahedra and corners with four equivalent C(1)Nd2Mn4 octahedra. The corner-sharing octahedral tilt angles are 85°. is represented by the CIF card [CIF]
data_Nd2Mn22C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.451
_cell_length_b   7.717
_cell_length_c   7.754
_cell_angle_alpha   99.123
_cell_angle_beta   114.943
_cell_angle_gamma   65.653
_symmetry_Int_Tables_number   1
_cell_volume   318.794
_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
  Nd  Nd0  1  0.375  0.748  0.248  1.0
  Nd  Nd1  1  0.625  0.252  0.752  1.0
  Mn  Mn2  1  0.000  0.500  0.000  1.0
  Mn  Mn3  1  0.000  0.500  0.500  1.0
  Mn  Mn4  1  0.500  0.000  0.000  1.0
  Mn  Mn5  1  0.000  0.000  0.500  1.0
  Mn  Mn6  1  0.130  0.250  0.750  1.0
  Mn  Mn7  1  0.870  0.750  0.250  1.0
  Mn  Mn8  1  0.176  0.178  0.418  1.0
  Mn  Mn9  1  0.436  0.918  0.678  1.0
  Mn  Mn10  1  0.853  0.823  0.921  1.0
  Mn  Mn11  1  0.255  0.421  0.323  1.0
  Mn  Mn12  1  0.186  0.575  0.829  1.0
  Mn  Mn13  1  0.432  0.329  0.075  1.0
  Mn  Mn14  1  0.849  0.088  0.173  1.0
  Mn  Mn15  1  0.265  0.673  0.588  1.0
  Mn  Mn16  1  0.824  0.822  0.582  1.0
  Mn  Mn17  1  0.564  0.082  0.322  1.0
  Mn  Mn18  1  0.147  0.177  0.079  1.0
  Mn  Mn19  1  0.745  0.579  0.677  1.0
  Mn  Mn20  1  0.814  0.425  0.171  1.0
  Mn  Mn21  1  0.568  0.671  0.925  1.0
  Mn  Mn22  1  0.151  0.912  0.827  1.0
  Mn  Mn23  1  0.735  0.327  0.412  1.0
  C  C24  1  0.500  0.500  0.500  1.0
  C  C25  1  0.000  0.000  0.000  1.0
  C  C26  1  0.500  0.000  0.500  1.0
[/CIF]
.