The compound described by Cu3Mn is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Mn(1) is bonded to twelve equivalent Cu(1) atoms to form MnCu12 cuboctahedra that share corners with six equivalent Mn(1)Cu12 cuboctahedra, corners with twelve equivalent Cu(1)Mn4Cu8 cuboctahedra, edges with eighteen equivalent Cu(1)Mn4Cu8 cuboctahedra, faces with eight equivalent Mn(1)Cu12 cuboctahedra, and faces with twelve equivalent Cu(1)Mn4Cu8 cuboctahedra. Cu(1) is bonded to four equivalent Mn(1) and eight equivalent Cu(1) atoms to form CuMn4Cu8 cuboctahedra that share corners with four equivalent Mn(1)Cu12 cuboctahedra, corners with fourteen equivalent Cu(1)Mn4Cu8 cuboctahedra, edges with six equivalent Mn(1)Cu12 cuboctahedra, edges with twelve equivalent Cu(1)Mn4Cu8 cuboctahedra, faces with four equivalent Mn(1)Cu12 cuboctahedra, and faces with sixteen equivalent Cu(1)Mn4Cu8 cuboctahedra. is represented by the CIF card [CIF]
data_MnCu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.196
_cell_length_b   5.196
_cell_length_c   4.240
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   99.134
_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  0.667  0.333  0.250  1.0
  Mn  Mn1  1  0.333  0.667  0.750  1.0
  Cu  Cu2  1  0.834  0.668  0.750  1.0
  Cu  Cu3  1  0.834  0.166  0.750  1.0
  Cu  Cu4  1  0.166  0.332  0.250  1.0
  Cu  Cu5  1  0.668  0.834  0.250  1.0
  Cu  Cu6  1  0.166  0.834  0.250  1.0
  Cu  Cu7  1  0.332  0.166  0.750  1.0
[/CIF]
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The compound described by Cu3Mn is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Mn(1) is bonded to twelve equivalent Cu(1) atoms to form MnCu12 cuboctahedra that share corners with six equivalent Mn(1)Cu12 cuboctahedra, corners with twelve equivalent Cu(1)Mn4Cu8 cuboctahedra, edges with eighteen equivalent Cu(1)Mn4Cu8 cuboctahedra, faces with eight equivalent Mn(1)Cu12 cuboctahedra, and faces with twelve equivalent Cu(1)Mn4Cu8 cuboctahedra. Cu(1) is bonded to four equivalent Mn(1) and eight equivalent Cu(1) atoms to form CuMn4Cu8 cuboctahedra that share corners with four equivalent Mn(1)Cu12 cuboctahedra, corners with fourteen equivalent Cu(1)Mn4Cu8 cuboctahedra, edges with six equivalent Mn(1)Cu12 cuboctahedra, edges with twelve equivalent Cu(1)Mn4Cu8 cuboctahedra, faces with four equivalent Mn(1)Cu12 cuboctahedra, and faces with sixteen equivalent Cu(1)Mn4Cu8 cuboctahedra. is represented by the CIF card [CIF]
data_MnCu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.196
_cell_length_b   5.196
_cell_length_c   4.240
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   99.134
_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  0.667  0.333  0.250  1.0
  Mn  Mn1  1  0.333  0.667  0.750  1.0
  Cu  Cu2  1  0.834  0.668  0.750  1.0
  Cu  Cu3  1  0.834  0.166  0.750  1.0
  Cu  Cu4  1  0.166  0.332  0.250  1.0
  Cu  Cu5  1  0.668  0.834  0.250  1.0
  Cu  Cu6  1  0.166  0.834  0.250  1.0
  Cu  Cu7  1  0.332  0.166  0.750  1.0
[/CIF]
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