The compound described by Tm2Mn3Si5 crystallizes in the tetragonal P4/mnc space group. Tm(1) is bonded in a 13-coordinate geometry to two equivalent Mn(1), two equivalent Mn(2), two equivalent Si(1), three equivalent Si(3), and four equivalent Si(2) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to four equivalent Tm(1), two equivalent Si(2), and four equivalent Si(3) atoms. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to two equivalent Tm(1), two equivalent Si(1), two equivalent Si(2), and two equivalent Si(3) atoms. There are three inequivalent Si sites. In the first Si site, Si(3) is bonded in a 9-coordinate geometry to three equivalent Tm(1), two equivalent Mn(1), two equivalent Mn(2), and two equivalent Si(2) atoms. In the second Si site, Si(1) is bonded in a 9-coordinate geometry to four equivalent Tm(1), four equivalent Mn(2), and one Si(1) atom. In the third Si site, Si(2) is bonded in a 11-coordinate geometry to four equivalent Tm(1), one Mn(1), two equivalent Mn(2), two equivalent Si(2), and two equivalent Si(3) atoms. is represented by the CIF card [CIF]
data_Tm2Mn3Si5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.542
_cell_length_b   10.542
_cell_length_c   5.392
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   599.258
_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
  Tm  Tm0  1  0.238  0.075  0.000  1.0
  Tm  Tm1  1  0.075  0.762  0.000  1.0
  Tm  Tm2  1  0.925  0.238  0.000  1.0
  Tm  Tm3  1  0.762  0.925  0.000  1.0
  Tm  Tm4  1  0.262  0.575  0.500  1.0
  Tm  Tm5  1  0.738  0.425  0.500  1.0
  Tm  Tm6  1  0.575  0.738  0.500  1.0
  Tm  Tm7  1  0.425  0.262  0.500  1.0
  Mn  Mn8  1  0.500  0.000  0.250  1.0
  Mn  Mn9  1  0.000  0.500  0.250  1.0
  Mn  Mn10  1  0.500  0.000  0.750  1.0
  Mn  Mn11  1  0.000  0.500  0.750  1.0
  Mn  Mn12  1  0.360  0.382  0.000  1.0
  Mn  Mn13  1  0.382  0.640  0.000  1.0
  Mn  Mn14  1  0.618  0.360  0.000  1.0
  Mn  Mn15  1  0.640  0.618  0.000  1.0
  Mn  Mn16  1  0.140  0.882  0.500  1.0
  Mn  Mn17  1  0.860  0.118  0.500  1.0
  Mn  Mn18  1  0.882  0.860  0.500  1.0
  Mn  Mn19  1  0.118  0.140  0.500  1.0
  Si  Si20  1  0.000  0.000  0.237  1.0
  Si  Si21  1  0.500  0.500  0.263  1.0
  Si  Si22  1  0.000  0.000  0.763  1.0
  Si  Si23  1  0.500  0.500  0.737  1.0
  Si  Si24  1  0.676  0.176  0.250  1.0
  Si  Si25  1  0.176  0.324  0.250  1.0
  Si  Si26  1  0.824  0.676  0.250  1.0
  Si  Si27  1  0.324  0.824  0.250  1.0
  Si  Si28  1  0.324  0.824  0.750  1.0
  Si  Si29  1  0.824  0.676  0.750  1.0
  Si  Si30  1  0.176  0.324  0.750  1.0
  Si  Si31  1  0.676  0.176  0.750  1.0
  Si  Si32  1  0.477  0.184  0.000  1.0
  Si  Si33  1  0.184  0.523  0.000  1.0
  Si  Si34  1  0.816  0.477  0.000  1.0
  Si  Si35  1  0.523  0.816  0.000  1.0
  Si  Si36  1  0.023  0.684  0.500  1.0
  Si  Si37  1  0.977  0.316  0.500  1.0
  Si  Si38  1  0.684  0.977  0.500  1.0
  Si  Si39  1  0.316  0.023  0.500  1.0
[/CIF]
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The compound described by Tm2Mn3Si5 crystallizes in the tetragonal P4/mnc space group. Tm(1) is bonded in a 13-coordinate geometry to two equivalent Mn(1), two equivalent Mn(2), two equivalent Si(1), three equivalent Si(3), and four equivalent Si(2) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to four equivalent Tm(1), two equivalent Si(2), and four equivalent Si(3) atoms. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to two equivalent Tm(1), two equivalent Si(1), two equivalent Si(2), and two equivalent Si(3) atoms. There are three inequivalent Si sites. In the first Si site, Si(3) is bonded in a 9-coordinate geometry to three equivalent Tm(1), two equivalent Mn(1), two equivalent Mn(2), and two equivalent Si(2) atoms. In the second Si site, Si(1) is bonded in a 9-coordinate geometry to four equivalent Tm(1), four equivalent Mn(2), and one Si(1) atom. In the third Si site, Si(2) is bonded in a 11-coordinate geometry to four equivalent Tm(1), one Mn(1), two equivalent Mn(2), two equivalent Si(2), and two equivalent Si(3) atoms. is represented by the CIF card [CIF]
data_Tm2Mn3Si5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.542
_cell_length_b   10.542
_cell_length_c   5.392
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   599.258
_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
  Tm  Tm0  1  0.238  0.075  0.000  1.0
  Tm  Tm1  1  0.075  0.762  0.000  1.0
  Tm  Tm2  1  0.925  0.238  0.000  1.0
  Tm  Tm3  1  0.762  0.925  0.000  1.0
  Tm  Tm4  1  0.262  0.575  0.500  1.0
  Tm  Tm5  1  0.738  0.425  0.500  1.0
  Tm  Tm6  1  0.575  0.738  0.500  1.0
  Tm  Tm7  1  0.425  0.262  0.500  1.0
  Mn  Mn8  1  0.500  0.000  0.250  1.0
  Mn  Mn9  1  0.000  0.500  0.250  1.0
  Mn  Mn10  1  0.500  0.000  0.750  1.0
  Mn  Mn11  1  0.000  0.500  0.750  1.0
  Mn  Mn12  1  0.360  0.382  0.000  1.0
  Mn  Mn13  1  0.382  0.640  0.000  1.0
  Mn  Mn14  1  0.618  0.360  0.000  1.0
  Mn  Mn15  1  0.640  0.618  0.000  1.0
  Mn  Mn16  1  0.140  0.882  0.500  1.0
  Mn  Mn17  1  0.860  0.118  0.500  1.0
  Mn  Mn18  1  0.882  0.860  0.500  1.0
  Mn  Mn19  1  0.118  0.140  0.500  1.0
  Si  Si20  1  0.000  0.000  0.237  1.0
  Si  Si21  1  0.500  0.500  0.263  1.0
  Si  Si22  1  0.000  0.000  0.763  1.0
  Si  Si23  1  0.500  0.500  0.737  1.0
  Si  Si24  1  0.676  0.176  0.250  1.0
  Si  Si25  1  0.176  0.324  0.250  1.0
  Si  Si26  1  0.824  0.676  0.250  1.0
  Si  Si27  1  0.324  0.824  0.250  1.0
  Si  Si28  1  0.324  0.824  0.750  1.0
  Si  Si29  1  0.824  0.676  0.750  1.0
  Si  Si30  1  0.176  0.324  0.750  1.0
  Si  Si31  1  0.676  0.176  0.750  1.0
  Si  Si32  1  0.477  0.184  0.000  1.0
  Si  Si33  1  0.184  0.523  0.000  1.0
  Si  Si34  1  0.816  0.477  0.000  1.0
  Si  Si35  1  0.523  0.816  0.000  1.0
  Si  Si36  1  0.023  0.684  0.500  1.0
  Si  Si37  1  0.977  0.316  0.500  1.0
  Si  Si38  1  0.684  0.977  0.500  1.0
  Si  Si39  1  0.316  0.023  0.500  1.0
[/CIF]
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