The material structure described by LuMn5 crystallizes in the hexagonal P6_3mc space group. Lu(1) is bonded in a 16-coordinate geometry to three equivalent Mn(2), four equivalent Mn(3), and nine equivalent Mn(1) atoms. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three equivalent Lu(1), two equivalent Mn(2), three equivalent Mn(3), and four equivalent Mn(1) atoms to form a mixture of distorted corner, edge, and face-sharing MnLu3Mn9 cuboctahedra. In the second Mn site, Mn(2) is bonded to three equivalent Lu(1), three equivalent Mn(3), and six equivalent Mn(1) atoms to form a mixture of corner, edge, and face-sharing MnLu3Mn9 cuboctahedra. In the third Mn site, Mn(3) is bonded in a 16-coordinate geometry to four equivalent Lu(1), three equivalent Mn(2), and nine equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LuMn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.845
_cell_length_b   4.845
_cell_length_c   7.958
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   161.778
_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
  Lu  Lu0  1  0.667  0.333  0.758  1.0
  Lu  Lu1  1  0.333  0.667  0.258  1.0
  Mn  Mn2  1  0.829  0.171  0.449  1.0
  Mn  Mn3  1  0.657  0.829  0.949  1.0
  Mn  Mn4  1  0.000  0.000  0.203  1.0
  Mn  Mn5  1  0.000  0.000  0.703  1.0
  Mn  Mn6  1  0.333  0.667  0.629  1.0
  Mn  Mn7  1  0.667  0.333  0.129  1.0
  Mn  Mn8  1  0.171  0.829  0.949  1.0
  Mn  Mn9  1  0.343  0.171  0.449  1.0
  Mn  Mn10  1  0.829  0.657  0.449  1.0
  Mn  Mn11  1  0.171  0.343  0.949  1.0
[/CIF]
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The material structure described by LuMn5 crystallizes in the hexagonal P6_3mc space group. Lu(1) is bonded in a 16-coordinate geometry to three equivalent Mn(2), four equivalent Mn(3), and nine equivalent Mn(1) atoms. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three equivalent Lu(1), two equivalent Mn(2), three equivalent Mn(3), and four equivalent Mn(1) atoms to form a mixture of distorted corner, edge, and face-sharing MnLu3Mn9 cuboctahedra. In the second Mn site, Mn(2) is bonded to three equivalent Lu(1), three equivalent Mn(3), and six equivalent Mn(1) atoms to form a mixture of corner, edge, and face-sharing MnLu3Mn9 cuboctahedra. In the third Mn site, Mn(3) is bonded in a 16-coordinate geometry to four equivalent Lu(1), three equivalent Mn(2), and nine equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LuMn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.845
_cell_length_b   4.845
_cell_length_c   7.958
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   161.778
_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
  Lu  Lu0  1  0.667  0.333  0.758  1.0
  Lu  Lu1  1  0.333  0.667  0.258  1.0
  Mn  Mn2  1  0.829  0.171  0.449  1.0
  Mn  Mn3  1  0.657  0.829  0.949  1.0
  Mn  Mn4  1  0.000  0.000  0.203  1.0
  Mn  Mn5  1  0.000  0.000  0.703  1.0
  Mn  Mn6  1  0.333  0.667  0.629  1.0
  Mn  Mn7  1  0.667  0.333  0.129  1.0
  Mn  Mn8  1  0.171  0.829  0.949  1.0
  Mn  Mn9  1  0.343  0.171  0.449  1.0
  Mn  Mn10  1  0.829  0.657  0.449  1.0
  Mn  Mn11  1  0.171  0.343  0.949  1.0
[/CIF]
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