The crystal structure described by La2Mn3FeSi4 crystallizes in the tetragonal P-4m2 space group. La(1) is bonded in a 16-coordinate geometry to two equivalent Mn(1), two equivalent Mn(2), two equivalent Mn(3), two equivalent Fe(1), four equivalent Si(1), and four equivalent Si(2) atoms. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to four equivalent La(1) and four equivalent Si(2) atoms to form MnLa4Si4 tetrahedra that share corners with eight equivalent Fe(1)La4Mn4Si4 cuboctahedra, corners with four equivalent Mn(2)La4Fe4Si4 tetrahedra, edges with two equivalent Mn(2)La4Fe4Si4 tetrahedra, edges with four equivalent Mn(1)La4Si4 tetrahedra, and faces with four equivalent Mn(3)La4Si4 tetrahedra. In the second Mn site, Mn(2) is bonded to four equivalent La(1), four equivalent Fe(1), and four equivalent Si(1) atoms to form distorted MnLa4Fe4Si4 tetrahedra that share corners with four equivalent Mn(2)La4Fe4Si4 tetrahedra, corners with four equivalent Mn(1)La4Si4 tetrahedra, corners with eight equivalent Mn(3)La4Si4 tetrahedra, edges with two equivalent Mn(1)La4Si4 tetrahedra, faces with four equivalent Fe(1)La4Mn4Si4 cuboctahedra, and faces with four equivalent Mn(2)La4Fe4Si4 tetrahedra. In the third Mn site, Mn(3) is bonded to four equivalent La(1) and four equivalent Si(2) atoms to form MnLa4Si4 tetrahedra that share corners with four equivalent Fe(1)La4Mn4Si4 cuboctahedra, corners with eight equivalent Mn(2)La4Fe4Si4 tetrahedra, edges with two equivalent Fe(1)La4Mn4Si4 cuboctahedra, edges with four equivalent Mn(3)La4Si4 tetrahedra, and faces with four equivalent Mn(1)La4Si4 tetrahedra. Fe(1) is bonded to four equivalent La(1), four equivalent Mn(2), and four equivalent Si(1) atoms to form distorted FeLa4Mn4Si4 cuboctahedra that share corners with four equivalent Fe(1)La4Mn4Si4 cuboctahedra, corners with four equivalent Mn(3)La4Si4 tetrahedra, corners with eight equivalent Mn(1)La4Si4 tetrahedra, edges with two equivalent Mn(3)La4Si4 tetrahedra, faces with four equivalent Fe(1)La4Mn4Si4 cuboctahedra, and faces with four equivalent Mn(2)La4Fe4Si4 tetrahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to four equivalent La(1), two equivalent Mn(2), two equivalent Fe(1), and one Si(2) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to four equivalent La(1), two equivalent Mn(1), two equivalent Mn(3), and one Si(1) atom. is represented by the CIF card [CIF]
data_La2Mn3FeSi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.017
_cell_length_b   4.017
_cell_length_c   10.534
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   170.016
_cell_formula_units_Z   1
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
  La  La0  1  0.500  0.000  0.752  1.0
  La  La1  1  0.000  0.500  0.248  1.0
  Mn  Mn2  1  0.000  0.000  0.500  1.0
  Mn  Mn3  1  0.000  0.000  0.000  1.0
  Mn  Mn4  1  0.500  0.500  0.500  1.0
  Fe  Fe5  1  0.500  0.500  0.000  1.0
  Si  Si6  1  0.000  0.500  0.882  1.0
  Si  Si7  1  0.500  0.000  0.378  1.0
  Si  Si8  1  0.500  0.000  0.118  1.0
  Si  Si9  1  0.000  0.500  0.622  1.0
[/CIF]
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The crystal structure described by La2Mn3FeSi4 crystallizes in the tetragonal P-4m2 space group. La(1) is bonded in a 16-coordinate geometry to two equivalent Mn(1), two equivalent Mn(2), two equivalent Mn(3), two equivalent Fe(1), four equivalent Si(1), and four equivalent Si(2) atoms. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to four equivalent La(1) and four equivalent Si(2) atoms to form MnLa4Si4 tetrahedra that share corners with eight equivalent Fe(1)La4Mn4Si4 cuboctahedra, corners with four equivalent Mn(2)La4Fe4Si4 tetrahedra, edges with two equivalent Mn(2)La4Fe4Si4 tetrahedra, edges with four equivalent Mn(1)La4Si4 tetrahedra, and faces with four equivalent Mn(3)La4Si4 tetrahedra. In the second Mn site, Mn(2) is bonded to four equivalent La(1), four equivalent Fe(1), and four equivalent Si(1) atoms to form distorted MnLa4Fe4Si4 tetrahedra that share corners with four equivalent Mn(2)La4Fe4Si4 tetrahedra, corners with four equivalent Mn(1)La4Si4 tetrahedra, corners with eight equivalent Mn(3)La4Si4 tetrahedra, edges with two equivalent Mn(1)La4Si4 tetrahedra, faces with four equivalent Fe(1)La4Mn4Si4 cuboctahedra, and faces with four equivalent Mn(2)La4Fe4Si4 tetrahedra. In the third Mn site, Mn(3) is bonded to four equivalent La(1) and four equivalent Si(2) atoms to form MnLa4Si4 tetrahedra that share corners with four equivalent Fe(1)La4Mn4Si4 cuboctahedra, corners with eight equivalent Mn(2)La4Fe4Si4 tetrahedra, edges with two equivalent Fe(1)La4Mn4Si4 cuboctahedra, edges with four equivalent Mn(3)La4Si4 tetrahedra, and faces with four equivalent Mn(1)La4Si4 tetrahedra. Fe(1) is bonded to four equivalent La(1), four equivalent Mn(2), and four equivalent Si(1) atoms to form distorted FeLa4Mn4Si4 cuboctahedra that share corners with four equivalent Fe(1)La4Mn4Si4 cuboctahedra, corners with four equivalent Mn(3)La4Si4 tetrahedra, corners with eight equivalent Mn(1)La4Si4 tetrahedra, edges with two equivalent Mn(3)La4Si4 tetrahedra, faces with four equivalent Fe(1)La4Mn4Si4 cuboctahedra, and faces with four equivalent Mn(2)La4Fe4Si4 tetrahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to four equivalent La(1), two equivalent Mn(2), two equivalent Fe(1), and one Si(2) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to four equivalent La(1), two equivalent Mn(1), two equivalent Mn(3), and one Si(1) atom. is represented by the CIF card [CIF]
data_La2Mn3FeSi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.017
_cell_length_b   4.017
_cell_length_c   10.534
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   170.016
_cell_formula_units_Z   1
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
  La  La0  1  0.500  0.000  0.752  1.0
  La  La1  1  0.000  0.500  0.248  1.0
  Mn  Mn2  1  0.000  0.000  0.500  1.0
  Mn  Mn3  1  0.000  0.000  0.000  1.0
  Mn  Mn4  1  0.500  0.500  0.500  1.0
  Fe  Fe5  1  0.500  0.500  0.000  1.0
  Si  Si6  1  0.000  0.500  0.882  1.0
  Si  Si7  1  0.500  0.000  0.378  1.0
  Si  Si8  1  0.500  0.000  0.118  1.0
  Si  Si9  1  0.000  0.500  0.622  1.0
[/CIF]
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