The compound described by CuMn4 is alpha La-derived structured and crystallizes in the trigonal R-3m space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three equivalent Mn(2), six equivalent Mn(1), and three equivalent Cu(1) atoms to form MnMn9Cu3 cuboctahedra that share corners with three equivalent Mn(2)Mn12 cuboctahedra, corners with nine equivalent Mn(1)Mn9Cu3 cuboctahedra, edges with six equivalent Cu(1)Mn6Cu6 cuboctahedra, edges with nine equivalent Mn(2)Mn12 cuboctahedra, edges with nine equivalent Mn(1)Mn9Cu3 cuboctahedra, faces with six equivalent Mn(2)Mn12 cuboctahedra, faces with six equivalent Mn(1)Mn9Cu3 cuboctahedra, and faces with six equivalent Cu(1)Mn6Cu6 cuboctahedra. In the second Mn site, Mn(2) is bonded to three equivalent Mn(1) and nine equivalent Mn(2) atoms to form MnMn12 cuboctahedra that share corners with three equivalent Mn(1)Mn9Cu3 cuboctahedra, corners with three equivalent Cu(1)Mn6Cu6 cuboctahedra, corners with six equivalent Mn(2)Mn12 cuboctahedra, edges with three equivalent Cu(1)Mn6Cu6 cuboctahedra, edges with nine equivalent Mn(1)Mn9Cu3 cuboctahedra, edges with twelve equivalent Mn(2)Mn12 cuboctahedra, faces with six equivalent Mn(1)Mn9Cu3 cuboctahedra, and faces with twelve equivalent Mn(2)Mn12 cuboctahedra. In the third Mn site, Mn(2) is bonded to three equivalent Mn(1) and nine equivalent Mn(2) atoms to form MnMn12 cuboctahedra that share corners with three equivalent Mn(1)Mn9Cu3 cuboctahedra, corners with three equivalent Cu(1)Mn6Cu6 cuboctahedra, corners with six equivalent Mn(2)Mn12 cuboctahedra, edges with three equivalent Cu(1)Mn6Cu6 cuboctahedra, edges with nine equivalent Mn(1)Mn9Cu3 cuboctahedra, edges with twelve equivalent Mn(2)Mn12 cuboctahedra, faces with six equivalent Mn(1)Mn9Cu3 cuboctahedra, and faces with twelve equivalent Mn(2)Mn12 cuboctahedra. In the fourth Mn site, Mn(2) is bonded to three equivalent Mn(1) and nine Mn(2,2) atoms to form MnMn12 cuboctahedra that share corners with three equivalent Mn(1)Mn9Cu3 cuboctahedra; corners with three equivalent Cu(1)Mn6Cu6 cuboctahedra; corners with six equivalent Mn(2)Mn12 cuboctahedra; edges with three equivalent Cu(1)Mn6Cu6 cuboctahedra; edges with nine equivalent Mn(1)Mn9Cu3 cuboctahedra; edges with twelve Mn(2,2)Mn12 cuboctahedra; faces with six equivalent Mn(1)Mn9Cu3 cuboctahedra; and faces with twelve Mn(2,2)Mn12 cuboctahedra. Cu(1) is bonded to six equivalent Mn(1) and six equivalent Cu(1) atoms to form CuMn6Cu6 cuboctahedra that share corners with six equivalent Mn(2)Mn12 cuboctahedra, corners with six equivalent Cu(1)Mn6Cu6 cuboctahedra, edges with six equivalent Mn(2)Mn12 cuboctahedra, edges with six equivalent Cu(1)Mn6Cu6 cuboctahedra, edges with twelve equivalent Mn(1)Mn9Cu3 cuboctahedra, faces with six equivalent Cu(1)Mn6Cu6 cuboctahedra, and faces with twelve equivalent Mn(1)Mn9Cu3 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn4Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.492
_cell_length_b   2.492
_cell_length_c   10.453
_cell_angle_alpha   83.155
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   55.661
_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  0.596  0.193  0.211  1.0
  Mn  Mn1  1  0.201  0.402  0.397  1.0
  Mn  Mn2  1  0.799  0.598  0.603  1.0
  Mn  Mn3  1  0.404  0.807  0.789  1.0
  Cu  Cu4  1  0.000  0.000  0.000  1.0
[/CIF]
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The compound described by CuMn4 is alpha La-derived structured and crystallizes in the trigonal R-3m space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three equivalent Mn(2), six equivalent Mn(1), and three equivalent Cu(1) atoms to form MnMn9Cu3 cuboctahedra that share corners with three equivalent Mn(2)Mn12 cuboctahedra, corners with nine equivalent Mn(1)Mn9Cu3 cuboctahedra, edges with six equivalent Cu(1)Mn6Cu6 cuboctahedra, edges with nine equivalent Mn(2)Mn12 cuboctahedra, edges with nine equivalent Mn(1)Mn9Cu3 cuboctahedra, faces with six equivalent Mn(2)Mn12 cuboctahedra, faces with six equivalent Mn(1)Mn9Cu3 cuboctahedra, and faces with six equivalent Cu(1)Mn6Cu6 cuboctahedra. In the second Mn site, Mn(2) is bonded to three equivalent Mn(1) and nine equivalent Mn(2) atoms to form MnMn12 cuboctahedra that share corners with three equivalent Mn(1)Mn9Cu3 cuboctahedra, corners with three equivalent Cu(1)Mn6Cu6 cuboctahedra, corners with six equivalent Mn(2)Mn12 cuboctahedra, edges with three equivalent Cu(1)Mn6Cu6 cuboctahedra, edges with nine equivalent Mn(1)Mn9Cu3 cuboctahedra, edges with twelve equivalent Mn(2)Mn12 cuboctahedra, faces with six equivalent Mn(1)Mn9Cu3 cuboctahedra, and faces with twelve equivalent Mn(2)Mn12 cuboctahedra. In the third Mn site, Mn(2) is bonded to three equivalent Mn(1) and nine equivalent Mn(2) atoms to form MnMn12 cuboctahedra that share corners with three equivalent Mn(1)Mn9Cu3 cuboctahedra, corners with three equivalent Cu(1)Mn6Cu6 cuboctahedra, corners with six equivalent Mn(2)Mn12 cuboctahedra, edges with three equivalent Cu(1)Mn6Cu6 cuboctahedra, edges with nine equivalent Mn(1)Mn9Cu3 cuboctahedra, edges with twelve equivalent Mn(2)Mn12 cuboctahedra, faces with six equivalent Mn(1)Mn9Cu3 cuboctahedra, and faces with twelve equivalent Mn(2)Mn12 cuboctahedra. In the fourth Mn site, Mn(2) is bonded to three equivalent Mn(1) and nine Mn(2,2) atoms to form MnMn12 cuboctahedra that share corners with three equivalent Mn(1)Mn9Cu3 cuboctahedra; corners with three equivalent Cu(1)Mn6Cu6 cuboctahedra; corners with six equivalent Mn(2)Mn12 cuboctahedra; edges with three equivalent Cu(1)Mn6Cu6 cuboctahedra; edges with nine equivalent Mn(1)Mn9Cu3 cuboctahedra; edges with twelve Mn(2,2)Mn12 cuboctahedra; faces with six equivalent Mn(1)Mn9Cu3 cuboctahedra; and faces with twelve Mn(2,2)Mn12 cuboctahedra. Cu(1) is bonded to six equivalent Mn(1) and six equivalent Cu(1) atoms to form CuMn6Cu6 cuboctahedra that share corners with six equivalent Mn(2)Mn12 cuboctahedra, corners with six equivalent Cu(1)Mn6Cu6 cuboctahedra, edges with six equivalent Mn(2)Mn12 cuboctahedra, edges with six equivalent Cu(1)Mn6Cu6 cuboctahedra, edges with twelve equivalent Mn(1)Mn9Cu3 cuboctahedra, faces with six equivalent Cu(1)Mn6Cu6 cuboctahedra, and faces with twelve equivalent Mn(1)Mn9Cu3 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn4Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.492
_cell_length_b   2.492
_cell_length_c   10.453
_cell_angle_alpha   83.155
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   55.661
_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  0.596  0.193  0.211  1.0
  Mn  Mn1  1  0.201  0.402  0.397  1.0
  Mn  Mn2  1  0.799  0.598  0.603  1.0
  Mn  Mn3  1  0.404  0.807  0.789  1.0
  Cu  Cu4  1  0.000  0.000  0.000  1.0
[/CIF]
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