The material structure described by Ti5Mn3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 8-coordinate geometry to two equivalent Ti(1), six equivalent Ti(2), and six equivalent Mn(1) atoms. In the second Ti site, Ti(2) is bonded in a 15-coordinate geometry to four equivalent Ti(1), six equivalent Ti(2), and five equivalent Mn(1) atoms. Mn(1) is bonded in a 9-coordinate geometry to four equivalent Ti(1) and five equivalent Ti(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti5Mn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.255
_cell_length_b   7.173
_cell_length_c   7.173
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   234.149
_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
  Ti  Ti0  1  0.000  0.667  0.333  1.0
  Ti  Ti1  1  0.000  0.333  0.667  1.0
  Ti  Ti2  1  0.500  0.333  0.667  1.0
  Ti  Ti3  1  0.500  0.667  0.333  1.0
  Ti  Ti4  1  0.750  0.761  0.761  1.0
  Ti  Ti5  1  0.250  0.239  0.239  1.0
  Ti  Ti6  1  0.750  0.000  0.239  1.0
  Ti  Ti7  1  0.250  0.000  0.761  1.0
  Ti  Ti8  1  0.750  0.239  0.000  1.0
  Ti  Ti9  1  0.250  0.761  0.000  1.0
  Mn  Mn10  1  0.750  0.399  0.399  1.0
  Mn  Mn11  1  0.250  0.601  0.601  1.0
  Mn  Mn12  1  0.750  0.000  0.601  1.0
  Mn  Mn13  1  0.250  0.000  0.399  1.0
  Mn  Mn14  1  0.750  0.601  0.000  1.0
  Mn  Mn15  1  0.250  0.399  0.000  1.0
[/CIF]
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The material structure described by Ti5Mn3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 8-coordinate geometry to two equivalent Ti(1), six equivalent Ti(2), and six equivalent Mn(1) atoms. In the second Ti site, Ti(2) is bonded in a 15-coordinate geometry to four equivalent Ti(1), six equivalent Ti(2), and five equivalent Mn(1) atoms. Mn(1) is bonded in a 9-coordinate geometry to four equivalent Ti(1) and five equivalent Ti(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti5Mn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.255
_cell_length_b   7.173
_cell_length_c   7.173
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   234.149
_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
  Ti  Ti0  1  0.000  0.667  0.333  1.0
  Ti  Ti1  1  0.000  0.333  0.667  1.0
  Ti  Ti2  1  0.500  0.333  0.667  1.0
  Ti  Ti3  1  0.500  0.667  0.333  1.0
  Ti  Ti4  1  0.750  0.761  0.761  1.0
  Ti  Ti5  1  0.250  0.239  0.239  1.0
  Ti  Ti6  1  0.750  0.000  0.239  1.0
  Ti  Ti7  1  0.250  0.000  0.761  1.0
  Ti  Ti8  1  0.750  0.239  0.000  1.0
  Ti  Ti9  1  0.250  0.761  0.000  1.0
  Mn  Mn10  1  0.750  0.399  0.399  1.0
  Mn  Mn11  1  0.250  0.601  0.601  1.0
  Mn  Mn12  1  0.750  0.000  0.601  1.0
  Mn  Mn13  1  0.250  0.000  0.399  1.0
  Mn  Mn14  1  0.750  0.601  0.000  1.0
  Mn  Mn15  1  0.250  0.399  0.000  1.0
[/CIF]
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