The crystal structure described by Ti2Mn4Si5 crystallizes in the orthorhombic Ibam space group. Ti(1) is bonded in a 8-coordinate geometry to two equivalent Ti(1), two equivalent Si(1), and four equivalent Si(2) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 7-coordinate geometry to one Si(1), two equivalent Si(3), and four equivalent Si(2) atoms. In the second Mn site, Mn(2) is bonded in a 7-coordinate geometry to one Si(2), two equivalent Si(3), and four equivalent Si(1) atoms. There are three inequivalent Si sites. In the first Si site, Si(3) is bonded in a 10-coordinate geometry to four equivalent Mn(1), four equivalent Mn(2), and two equivalent Si(3) atoms. In the second Si site, Si(1) is bonded in a 7-coordinate geometry to two equivalent Ti(1), one Mn(1), and four equivalent Mn(2) atoms. In the third Si site, Si(2) is bonded in a 9-coordinate geometry to four equivalent Ti(1), one Mn(2), and four equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti2Mn4Si5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.321
_cell_length_b   9.321
_cell_length_c   9.321
_cell_angle_alpha   149.933
_cell_angle_beta   134.206
_cell_angle_gamma   55.758
_symmetry_Int_Tables_number   1
_cell_volume   288.917
_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  0.688  0.438  0.750  1.0
  Ti  Ti1  1  0.312  0.062  0.750  1.0
  Ti  Ti2  1  0.312  0.562  0.250  1.0
  Ti  Ti3  1  0.688  0.938  0.250  1.0
  Mn  Mn4  1  0.286  0.655  0.630  1.0
  Mn  Mn5  1  0.714  0.345  0.370  1.0
  Mn  Mn6  1  0.975  0.845  0.130  1.0
  Mn  Mn7  1  0.025  0.155  0.870  1.0
  Mn  Mn8  1  0.683  0.937  0.746  1.0
  Mn  Mn9  1  0.317  0.063  0.254  1.0
  Mn  Mn10  1  0.809  0.563  0.246  1.0
  Mn  Mn11  1  0.191  0.437  0.754  1.0
  Si  Si12  1  0.458  0.560  0.899  1.0
  Si  Si13  1  0.542  0.440  0.101  1.0
  Si  Si14  1  0.339  0.940  0.399  1.0
  Si  Si15  1  0.661  0.060  0.601  1.0
  Si  Si16  1  0.607  0.796  0.811  1.0
  Si  Si17  1  0.393  0.204  0.189  1.0
  Si  Si18  1  0.014  0.704  0.311  1.0
  Si  Si19  1  0.986  0.296  0.689  1.0
  Si  Si20  1  0.000  0.250  0.250  1.0
  Si  Si21  1  0.000  0.750  0.750  1.0
[/CIF]
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The crystal structure described by Ti2Mn4Si5 crystallizes in the orthorhombic Ibam space group. Ti(1) is bonded in a 8-coordinate geometry to two equivalent Ti(1), two equivalent Si(1), and four equivalent Si(2) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 7-coordinate geometry to one Si(1), two equivalent Si(3), and four equivalent Si(2) atoms. In the second Mn site, Mn(2) is bonded in a 7-coordinate geometry to one Si(2), two equivalent Si(3), and four equivalent Si(1) atoms. There are three inequivalent Si sites. In the first Si site, Si(3) is bonded in a 10-coordinate geometry to four equivalent Mn(1), four equivalent Mn(2), and two equivalent Si(3) atoms. In the second Si site, Si(1) is bonded in a 7-coordinate geometry to two equivalent Ti(1), one Mn(1), and four equivalent Mn(2) atoms. In the third Si site, Si(2) is bonded in a 9-coordinate geometry to four equivalent Ti(1), one Mn(2), and four equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti2Mn4Si5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.321
_cell_length_b   9.321
_cell_length_c   9.321
_cell_angle_alpha   149.933
_cell_angle_beta   134.206
_cell_angle_gamma   55.758
_symmetry_Int_Tables_number   1
_cell_volume   288.917
_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  0.688  0.438  0.750  1.0
  Ti  Ti1  1  0.312  0.062  0.750  1.0
  Ti  Ti2  1  0.312  0.562  0.250  1.0
  Ti  Ti3  1  0.688  0.938  0.250  1.0
  Mn  Mn4  1  0.286  0.655  0.630  1.0
  Mn  Mn5  1  0.714  0.345  0.370  1.0
  Mn  Mn6  1  0.975  0.845  0.130  1.0
  Mn  Mn7  1  0.025  0.155  0.870  1.0
  Mn  Mn8  1  0.683  0.937  0.746  1.0
  Mn  Mn9  1  0.317  0.063  0.254  1.0
  Mn  Mn10  1  0.809  0.563  0.246  1.0
  Mn  Mn11  1  0.191  0.437  0.754  1.0
  Si  Si12  1  0.458  0.560  0.899  1.0
  Si  Si13  1  0.542  0.440  0.101  1.0
  Si  Si14  1  0.339  0.940  0.399  1.0
  Si  Si15  1  0.661  0.060  0.601  1.0
  Si  Si16  1  0.607  0.796  0.811  1.0
  Si  Si17  1  0.393  0.204  0.189  1.0
  Si  Si18  1  0.014  0.704  0.311  1.0
  Si  Si19  1  0.986  0.296  0.689  1.0
  Si  Si20  1  0.000  0.250  0.250  1.0
  Si  Si21  1  0.000  0.750  0.750  1.0
[/CIF]
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