The crystal structure described by TiMn2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. Ti(1) is bonded in a 16-coordinate geometry to four equivalent Ti(1), three equivalent Mn(2), and nine equivalent Mn(1) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(2) is bonded to six equivalent Ti(1) and six equivalent Mn(1) atoms to form a mixture of distorted edge, corner, and face-sharing MnTi6Mn6 cuboctahedra. In the second Mn site, Mn(1) is bonded to six equivalent Ti(1), two equivalent Mn(2), and four equivalent Mn(1) atoms to form a mixture of edge, corner, and face-sharing MnTi6Mn6 cuboctahedra. is represented by the CIF file [CIF]
data_TiMn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.086
_cell_length_b   5.086
_cell_length_c   7.725
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   173.043
_cell_formula_units_Z   4
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
  Ti  Ti0  1  0.333  0.667  0.439  1.0
  Ti  Ti1  1  0.667  0.333  0.939  1.0
  Ti  Ti2  1  0.667  0.333  0.561  1.0
  Ti  Ti3  1  0.333  0.667  0.061  1.0
  Mn  Mn4  1  0.659  0.829  0.750  1.0
  Mn  Mn5  1  0.341  0.171  0.250  1.0
  Mn  Mn6  1  0.829  0.171  0.250  1.0
  Mn  Mn7  1  0.171  0.341  0.750  1.0
  Mn  Mn8  1  0.171  0.829  0.750  1.0
  Mn  Mn9  1  0.829  0.659  0.250  1.0
  Mn  Mn10  1  0.000  0.000  0.500  1.0
  Mn  Mn11  1  0.000  0.000  0.000  1.0
[/CIF]
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The crystal structure described by TiMn2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. Ti(1) is bonded in a 16-coordinate geometry to four equivalent Ti(1), three equivalent Mn(2), and nine equivalent Mn(1) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(2) is bonded to six equivalent Ti(1) and six equivalent Mn(1) atoms to form a mixture of distorted edge, corner, and face-sharing MnTi6Mn6 cuboctahedra. In the second Mn site, Mn(1) is bonded to six equivalent Ti(1), two equivalent Mn(2), and four equivalent Mn(1) atoms to form a mixture of edge, corner, and face-sharing MnTi6Mn6 cuboctahedra. is represented by the CIF file [CIF]
data_TiMn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.086
_cell_length_b   5.086
_cell_length_c   7.725
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   173.043
_cell_formula_units_Z   4
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
  Ti  Ti0  1  0.333  0.667  0.439  1.0
  Ti  Ti1  1  0.667  0.333  0.939  1.0
  Ti  Ti2  1  0.667  0.333  0.561  1.0
  Ti  Ti3  1  0.333  0.667  0.061  1.0
  Mn  Mn4  1  0.659  0.829  0.750  1.0
  Mn  Mn5  1  0.341  0.171  0.250  1.0
  Mn  Mn6  1  0.829  0.171  0.250  1.0
  Mn  Mn7  1  0.171  0.341  0.750  1.0
  Mn  Mn8  1  0.171  0.829  0.750  1.0
  Mn  Mn9  1  0.829  0.659  0.250  1.0
  Mn  Mn10  1  0.000  0.000  0.500  1.0
  Mn  Mn11  1  0.000  0.000  0.000  1.0
[/CIF]
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