The material described by Fe11CrSi4 is Tungsten-derived structured and crystallizes in the trigonal R-3m space group. Cr(1) is bonded in a distorted body-centered cubic geometry to two equivalent Fe(3) and six equivalent Fe(4) atoms. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a distorted body-centered cubic geometry to one Fe(6), three equivalent Fe(5), one Si(2), and three equivalent Si(1) atoms. In the second Fe site, Fe(2) is bonded in a distorted body-centered cubic geometry to one Fe(5), three equivalent Fe(6), and four equivalent Si(1) atoms. In the third Fe site, Fe(3) is bonded in a distorted body-centered cubic geometry to one Cr(1), three equivalent Fe(5), one Si(1), and three equivalent Si(2) atoms. In the fourth Fe site, Fe(4) is bonded in a 8-coordinate geometry to three equivalent Cr(1), one Fe(5), and four equivalent Si(2) atoms. In the fifth Fe site, Fe(5) is bonded in a 14-coordinate geometry to one Fe(2), one Fe(4), three equivalent Fe(1), three equivalent Fe(3), three equivalent Si(1), and three equivalent Si(2) atoms. In the sixth Fe site, Fe(6) is bonded in a 14-coordinate geometry to two equivalent Fe(1), six equivalent Fe(2), and six equivalent Si(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a distorted body-centered cubic geometry to one Fe(3), three equivalent Fe(1), three equivalent Fe(5), three equivalent Fe(6), and four equivalent Fe(2) atoms. In the second Si site, Si(2) is bonded in a distorted body-centered cubic geometry to one Fe(1), three equivalent Fe(3), three equivalent Fe(5), and four equivalent Fe(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CrFe11Si4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.132
_cell_length_b   13.132
_cell_length_c   13.132
_cell_angle_alpha   17.297
_cell_angle_beta   17.297
_cell_angle_gamma   17.297
_symmetry_Int_Tables_number   1
_cell_volume   174.681
_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
  Cr  Cr0  1  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.563  0.563  0.563  1.0
  Fe  Fe2  1  0.812  0.812  0.812  1.0
  Fe  Fe3  1  0.061  0.061  0.061  1.0
  Fe  Fe4  1  0.313  0.313  0.313  1.0
  Fe  Fe5  1  0.188  0.188  0.188  1.0
  Fe  Fe6  1  0.437  0.437  0.437  1.0
  Fe  Fe7  1  0.687  0.687  0.687  1.0
  Fe  Fe8  1  0.939  0.939  0.939  1.0
  Fe  Fe9  1  0.249  0.249  0.249  1.0
  Fe  Fe10  1  0.500  0.500  0.500  1.0
  Fe  Fe11  1  0.751  0.751  0.751  1.0
  Si  Si12  1  0.875  0.875  0.875  1.0
  Si  Si13  1  0.125  0.125  0.125  1.0
  Si  Si14  1  0.375  0.375  0.375  1.0
  Si  Si15  1  0.625  0.625  0.625  1.0
[/CIF]
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The material described by Fe11CrSi4 is Tungsten-derived structured and crystallizes in the trigonal R-3m space group. Cr(1) is bonded in a distorted body-centered cubic geometry to two equivalent Fe(3) and six equivalent Fe(4) atoms. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a distorted body-centered cubic geometry to one Fe(6), three equivalent Fe(5), one Si(2), and three equivalent Si(1) atoms. In the second Fe site, Fe(2) is bonded in a distorted body-centered cubic geometry to one Fe(5), three equivalent Fe(6), and four equivalent Si(1) atoms. In the third Fe site, Fe(3) is bonded in a distorted body-centered cubic geometry to one Cr(1), three equivalent Fe(5), one Si(1), and three equivalent Si(2) atoms. In the fourth Fe site, Fe(4) is bonded in a 8-coordinate geometry to three equivalent Cr(1), one Fe(5), and four equivalent Si(2) atoms. In the fifth Fe site, Fe(5) is bonded in a 14-coordinate geometry to one Fe(2), one Fe(4), three equivalent Fe(1), three equivalent Fe(3), three equivalent Si(1), and three equivalent Si(2) atoms. In the sixth Fe site, Fe(6) is bonded in a 14-coordinate geometry to two equivalent Fe(1), six equivalent Fe(2), and six equivalent Si(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a distorted body-centered cubic geometry to one Fe(3), three equivalent Fe(1), three equivalent Fe(5), three equivalent Fe(6), and four equivalent Fe(2) atoms. In the second Si site, Si(2) is bonded in a distorted body-centered cubic geometry to one Fe(1), three equivalent Fe(3), three equivalent Fe(5), and four equivalent Fe(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CrFe11Si4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.132
_cell_length_b   13.132
_cell_length_c   13.132
_cell_angle_alpha   17.297
_cell_angle_beta   17.297
_cell_angle_gamma   17.297
_symmetry_Int_Tables_number   1
_cell_volume   174.681
_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
  Cr  Cr0  1  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.563  0.563  0.563  1.0
  Fe  Fe2  1  0.812  0.812  0.812  1.0
  Fe  Fe3  1  0.061  0.061  0.061  1.0
  Fe  Fe4  1  0.313  0.313  0.313  1.0
  Fe  Fe5  1  0.188  0.188  0.188  1.0
  Fe  Fe6  1  0.437  0.437  0.437  1.0
  Fe  Fe7  1  0.687  0.687  0.687  1.0
  Fe  Fe8  1  0.939  0.939  0.939  1.0
  Fe  Fe9  1  0.249  0.249  0.249  1.0
  Fe  Fe10  1  0.500  0.500  0.500  1.0
  Fe  Fe11  1  0.751  0.751  0.751  1.0
  Si  Si12  1  0.875  0.875  0.875  1.0
  Si  Si13  1  0.125  0.125  0.125  1.0
  Si  Si14  1  0.375  0.375  0.375  1.0
  Si  Si15  1  0.625  0.625  0.625  1.0
[/CIF]
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