The material described by UMnFeSi2 crystallizes in the tetragonal I-4m2 space group. U(1) is bonded in a 16-coordinate geometry to four equivalent Mn(1), four equivalent Fe(1), and eight equivalent Si(1) atoms. Mn(1) is bonded to four equivalent U(1), four equivalent Fe(1), and four equivalent Si(1) atoms to form distorted MnU4Fe4Si4 tetrahedra that share corners with four equivalent Fe(1)U4Mn4Si4 cuboctahedra, corners with twelve equivalent Mn(1)U4Fe4Si4 tetrahedra, edges with two equivalent Fe(1)U4Mn4Si4 cuboctahedra, faces with four equivalent Fe(1)U4Mn4Si4 cuboctahedra, and faces with four equivalent Mn(1)U4Fe4Si4 tetrahedra. Fe(1) is bonded to four equivalent U(1), four equivalent Mn(1), and four equivalent Si(1) atoms to form distorted FeU4Mn4Si4 cuboctahedra that share corners with twelve equivalent Fe(1)U4Mn4Si4 cuboctahedra, corners with four equivalent Mn(1)U4Fe4Si4 tetrahedra, edges with two equivalent Mn(1)U4Fe4Si4 tetrahedra, faces with four equivalent Fe(1)U4Mn4Si4 cuboctahedra, and faces with four equivalent Mn(1)U4Fe4Si4 tetrahedra. Si(1) is bonded in a 9-coordinate geometry to four equivalent U(1), two equivalent Mn(1), two equivalent Fe(1), and one Si(1) atom. is represented by the CIF card [CIF]
data_UMnFeSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.392
_cell_length_b   5.392
_cell_length_c   5.392
_cell_angle_alpha   136.614
_cell_angle_beta   136.614
_cell_angle_gamma   63.032
_symmetry_Int_Tables_number   1
_cell_volume   73.027
_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
  U  U0  1  0.000  0.000  0.000  1.0
  Mn  Mn1  1  0.750  0.250  0.500  1.0
  Fe  Fe2  1  0.250  0.750  0.500  1.0
  Si  Si3  1  0.630  0.630  0.000  1.0
  Si  Si4  1  0.370  0.370  0.000  1.0
[/CIF]
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The material described by UMnFeSi2 crystallizes in the tetragonal I-4m2 space group. U(1) is bonded in a 16-coordinate geometry to four equivalent Mn(1), four equivalent Fe(1), and eight equivalent Si(1) atoms. Mn(1) is bonded to four equivalent U(1), four equivalent Fe(1), and four equivalent Si(1) atoms to form distorted MnU4Fe4Si4 tetrahedra that share corners with four equivalent Fe(1)U4Mn4Si4 cuboctahedra, corners with twelve equivalent Mn(1)U4Fe4Si4 tetrahedra, edges with two equivalent Fe(1)U4Mn4Si4 cuboctahedra, faces with four equivalent Fe(1)U4Mn4Si4 cuboctahedra, and faces with four equivalent Mn(1)U4Fe4Si4 tetrahedra. Fe(1) is bonded to four equivalent U(1), four equivalent Mn(1), and four equivalent Si(1) atoms to form distorted FeU4Mn4Si4 cuboctahedra that share corners with twelve equivalent Fe(1)U4Mn4Si4 cuboctahedra, corners with four equivalent Mn(1)U4Fe4Si4 tetrahedra, edges with two equivalent Mn(1)U4Fe4Si4 tetrahedra, faces with four equivalent Fe(1)U4Mn4Si4 cuboctahedra, and faces with four equivalent Mn(1)U4Fe4Si4 tetrahedra. Si(1) is bonded in a 9-coordinate geometry to four equivalent U(1), two equivalent Mn(1), two equivalent Fe(1), and one Si(1) atom. is represented by the CIF card [CIF]
data_UMnFeSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.392
_cell_length_b   5.392
_cell_length_c   5.392
_cell_angle_alpha   136.614
_cell_angle_beta   136.614
_cell_angle_gamma   63.032
_symmetry_Int_Tables_number   1
_cell_volume   73.027
_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
  U  U0  1  0.000  0.000  0.000  1.0
  Mn  Mn1  1  0.750  0.250  0.500  1.0
  Fe  Fe2  1  0.250  0.750  0.500  1.0
  Si  Si3  1  0.630  0.630  0.000  1.0
  Si  Si4  1  0.370  0.370  0.000  1.0
[/CIF]
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