The material structure described by Lu2Mn3Si5 crystallizes in the tetragonal P4/mnc space group. Lu(1) is bonded in a 13-coordinate geometry to two equivalent Mn(1), two equivalent Mn(2), two equivalent Si(2), three equivalent Si(3), and four equivalent Si(1) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to two equivalent Lu(1), two equivalent Si(1), two equivalent Si(2), and two equivalent Si(3) atoms. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to four equivalent Lu(1), two equivalent Si(1), and four 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 Lu(1), two equivalent Mn(1), two equivalent Mn(2), and two equivalent Si(1) atoms. In the second Si site, Si(1) is bonded in a 11-coordinate geometry to four equivalent Lu(1), one Mn(2), two equivalent Mn(1), two equivalent Si(1), and two equivalent Si(3) atoms. In the third Si site, Si(2) is bonded in a 9-coordinate geometry to four equivalent Lu(1), four equivalent Mn(1), and one Si(2) atom. is represented by the CIF file [CIF]
data_Lu2Mn3Si5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.509
_cell_length_b   10.509
_cell_length_c   5.357
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   591.650
_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
  Lu  Lu0  1  0.575  0.738  0.500  1.0
  Lu  Lu1  1  0.425  0.262  0.500  1.0
  Lu  Lu2  1  0.075  0.762  0.000  1.0
  Lu  Lu3  1  0.925  0.238  0.000  1.0
  Lu  Lu4  1  0.262  0.575  0.500  1.0
  Lu  Lu5  1  0.738  0.425  0.500  1.0
  Lu  Lu6  1  0.238  0.075  0.000  1.0
  Lu  Lu7  1  0.762  0.925  0.000  1.0
  Mn  Mn8  1  0.881  0.860  0.500  1.0
  Mn  Mn9  1  0.119  0.140  0.500  1.0
  Mn  Mn10  1  0.381  0.640  0.000  1.0
  Mn  Mn11  1  0.619  0.360  0.000  1.0
  Mn  Mn12  1  0.140  0.881  0.500  1.0
  Mn  Mn13  1  0.860  0.119  0.500  1.0
  Mn  Mn14  1  0.360  0.381  0.000  1.0
  Mn  Mn15  1  0.640  0.619  0.000  1.0
  Mn  Mn16  1  0.500  0.000  0.250  1.0
  Mn  Mn17  1  0.000  0.500  0.750  1.0
  Mn  Mn18  1  0.000  0.500  0.250  1.0
  Mn  Mn19  1  0.500  0.000  0.750  1.0
  Si  Si20  1  0.676  0.176  0.250  1.0
  Si  Si21  1  0.324  0.824  0.250  1.0
  Si  Si22  1  0.176  0.324  0.750  1.0
  Si  Si23  1  0.824  0.676  0.750  1.0
  Si  Si24  1  0.824  0.676  0.250  1.0
  Si  Si25  1  0.176  0.324  0.250  1.0
  Si  Si26  1  0.676  0.176  0.750  1.0
  Si  Si27  1  0.324  0.824  0.750  1.0
  Si  Si28  1  0.500  0.500  0.264  1.0
  Si  Si29  1  0.000  0.000  0.764  1.0
  Si  Si30  1  0.500  0.500  0.736  1.0
  Si  Si31  1  0.000  0.000  0.236  1.0
  Si  Si32  1  0.685  0.976  0.500  1.0
  Si  Si33  1  0.315  0.024  0.500  1.0
  Si  Si34  1  0.185  0.524  0.000  1.0
  Si  Si35  1  0.815  0.476  0.000  1.0
  Si  Si36  1  0.024  0.685  0.500  1.0
  Si  Si37  1  0.976  0.315  0.500  1.0
  Si  Si38  1  0.476  0.185  0.000  1.0
  Si  Si39  1  0.524  0.815  0.000  1.0
[/CIF]
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The material structure described by Lu2Mn3Si5 crystallizes in the tetragonal P4/mnc space group. Lu(1) is bonded in a 13-coordinate geometry to two equivalent Mn(1), two equivalent Mn(2), two equivalent Si(2), three equivalent Si(3), and four equivalent Si(1) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to two equivalent Lu(1), two equivalent Si(1), two equivalent Si(2), and two equivalent Si(3) atoms. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to four equivalent Lu(1), two equivalent Si(1), and four 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 Lu(1), two equivalent Mn(1), two equivalent Mn(2), and two equivalent Si(1) atoms. In the second Si site, Si(1) is bonded in a 11-coordinate geometry to four equivalent Lu(1), one Mn(2), two equivalent Mn(1), two equivalent Si(1), and two equivalent Si(3) atoms. In the third Si site, Si(2) is bonded in a 9-coordinate geometry to four equivalent Lu(1), four equivalent Mn(1), and one Si(2) atom. is represented by the CIF file [CIF]
data_Lu2Mn3Si5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.509
_cell_length_b   10.509
_cell_length_c   5.357
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   591.650
_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
  Lu  Lu0  1  0.575  0.738  0.500  1.0
  Lu  Lu1  1  0.425  0.262  0.500  1.0
  Lu  Lu2  1  0.075  0.762  0.000  1.0
  Lu  Lu3  1  0.925  0.238  0.000  1.0
  Lu  Lu4  1  0.262  0.575  0.500  1.0
  Lu  Lu5  1  0.738  0.425  0.500  1.0
  Lu  Lu6  1  0.238  0.075  0.000  1.0
  Lu  Lu7  1  0.762  0.925  0.000  1.0
  Mn  Mn8  1  0.881  0.860  0.500  1.0
  Mn  Mn9  1  0.119  0.140  0.500  1.0
  Mn  Mn10  1  0.381  0.640  0.000  1.0
  Mn  Mn11  1  0.619  0.360  0.000  1.0
  Mn  Mn12  1  0.140  0.881  0.500  1.0
  Mn  Mn13  1  0.860  0.119  0.500  1.0
  Mn  Mn14  1  0.360  0.381  0.000  1.0
  Mn  Mn15  1  0.640  0.619  0.000  1.0
  Mn  Mn16  1  0.500  0.000  0.250  1.0
  Mn  Mn17  1  0.000  0.500  0.750  1.0
  Mn  Mn18  1  0.000  0.500  0.250  1.0
  Mn  Mn19  1  0.500  0.000  0.750  1.0
  Si  Si20  1  0.676  0.176  0.250  1.0
  Si  Si21  1  0.324  0.824  0.250  1.0
  Si  Si22  1  0.176  0.324  0.750  1.0
  Si  Si23  1  0.824  0.676  0.750  1.0
  Si  Si24  1  0.824  0.676  0.250  1.0
  Si  Si25  1  0.176  0.324  0.250  1.0
  Si  Si26  1  0.676  0.176  0.750  1.0
  Si  Si27  1  0.324  0.824  0.750  1.0
  Si  Si28  1  0.500  0.500  0.264  1.0
  Si  Si29  1  0.000  0.000  0.764  1.0
  Si  Si30  1  0.500  0.500  0.736  1.0
  Si  Si31  1  0.000  0.000  0.236  1.0
  Si  Si32  1  0.685  0.976  0.500  1.0
  Si  Si33  1  0.315  0.024  0.500  1.0
  Si  Si34  1  0.185  0.524  0.000  1.0
  Si  Si35  1  0.815  0.476  0.000  1.0
  Si  Si36  1  0.024  0.685  0.500  1.0
  Si  Si37  1  0.976  0.315  0.500  1.0
  Si  Si38  1  0.476  0.185  0.000  1.0
  Si  Si39  1  0.524  0.815  0.000  1.0
[/CIF]
.