The material described by Ti4MnBi2 crystallizes in the tetragonal I4/mcm space group. Ti(1) is bonded in a 6-coordinate geometry to two equivalent Mn(1) and four equivalent Bi(1) atoms. Mn(1) is bonded in a distorted q6 geometry to eight equivalent Ti(1) and two equivalent Mn(1) atoms. Bi(1) is bonded in a 8-coordinate geometry to eight equivalent Ti(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti4MnBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.039
_cell_length_b   7.885
_cell_length_c   7.885
_cell_angle_alpha   84.139
_cell_angle_beta   71.365
_cell_angle_gamma   71.364
_symmetry_Int_Tables_number   1
_cell_volume   281.321
_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  0.697  0.886  0.721  1.0
  Ti  Ti1  1  0.303  0.114  0.279  1.0
  Ti  Ti2  1  0.582  0.721  0.114  1.0
  Ti  Ti3  1  0.082  0.114  0.721  1.0
  Ti  Ti4  1  0.803  0.279  0.114  1.0
  Ti  Ti5  1  0.418  0.279  0.886  1.0
  Ti  Ti6  1  0.918  0.886  0.279  1.0
  Ti  Ti7  1  0.197  0.721  0.886  1.0
  Mn  Mn8  1  0.250  0.000  0.000  1.0
  Mn  Mn9  1  0.750  0.000  0.000  1.0
  Bi  Bi10  1  0.141  0.500  0.219  1.0
  Bi  Bi11  1  0.359  0.781  0.500  1.0
  Bi  Bi12  1  0.859  0.500  0.781  1.0
  Bi  Bi13  1  0.641  0.219  0.500  1.0
[/CIF]
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The material described by Ti4MnBi2 crystallizes in the tetragonal I4/mcm space group. Ti(1) is bonded in a 6-coordinate geometry to two equivalent Mn(1) and four equivalent Bi(1) atoms. Mn(1) is bonded in a distorted q6 geometry to eight equivalent Ti(1) and two equivalent Mn(1) atoms. Bi(1) is bonded in a 8-coordinate geometry to eight equivalent Ti(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti4MnBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.039
_cell_length_b   7.885
_cell_length_c   7.885
_cell_angle_alpha   84.139
_cell_angle_beta   71.365
_cell_angle_gamma   71.364
_symmetry_Int_Tables_number   1
_cell_volume   281.321
_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  0.697  0.886  0.721  1.0
  Ti  Ti1  1  0.303  0.114  0.279  1.0
  Ti  Ti2  1  0.582  0.721  0.114  1.0
  Ti  Ti3  1  0.082  0.114  0.721  1.0
  Ti  Ti4  1  0.803  0.279  0.114  1.0
  Ti  Ti5  1  0.418  0.279  0.886  1.0
  Ti  Ti6  1  0.918  0.886  0.279  1.0
  Ti  Ti7  1  0.197  0.721  0.886  1.0
  Mn  Mn8  1  0.250  0.000  0.000  1.0
  Mn  Mn9  1  0.750  0.000  0.000  1.0
  Bi  Bi10  1  0.141  0.500  0.219  1.0
  Bi  Bi11  1  0.359  0.781  0.500  1.0
  Bi  Bi12  1  0.859  0.500  0.781  1.0
  Bi  Bi13  1  0.641  0.219  0.500  1.0
[/CIF]
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