The compound described by Cr5Si3 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 6-coordinate geometry to two equivalent Cr(1) and four equivalent Si(2) atoms. In the second Cr site, Cr(2) is bonded in a 6-coordinate geometry to two equivalent Si(1) and four equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 10-coordinate geometry to eight equivalent Cr(2) and two equivalent Si(1) atoms. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to two equivalent Cr(1) and eight equivalent Cr(2) atoms. is represented by the CIF card [CIF]
data_Cr5Si3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.548
_cell_length_b   6.759
_cell_length_c   6.759
_cell_angle_alpha   83.503
_cell_angle_beta   70.349
_cell_angle_gamma   70.348
_symmetry_Int_Tables_number   1
_cell_volume   184.301
_cell_formula_units_Z   2
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  0.250  0.500  0.500  1.0
  Cr  Cr1  1  0.750  0.500  0.500  1.0
  Cr  Cr2  1  0.077  0.152  0.696  1.0
  Cr  Cr3  1  0.772  0.304  0.152  1.0
  Cr  Cr4  1  0.228  0.696  0.848  1.0
  Cr  Cr5  1  0.923  0.848  0.304  1.0
  Cr  Cr6  1  0.272  0.152  0.304  1.0
  Cr  Cr7  1  0.728  0.848  0.696  1.0
  Cr  Cr8  1  0.423  0.304  0.848  1.0
  Cr  Cr9  1  0.577  0.696  0.152  1.0
  Si  Si10  1  0.250  1.000  0.000  1.0
  Si  Si11  1  0.750  0.000  1.000  1.0
  Si  Si12  1  0.167  0.500  0.165  1.0
  Si  Si13  1  0.333  0.835  0.500  1.0
  Si  Si14  1  0.667  0.165  0.500  1.0
  Si  Si15  1  0.833  0.500  0.835  1.0
[/CIF]
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The compound described by Cr5Si3 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 6-coordinate geometry to two equivalent Cr(1) and four equivalent Si(2) atoms. In the second Cr site, Cr(2) is bonded in a 6-coordinate geometry to two equivalent Si(1) and four equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 10-coordinate geometry to eight equivalent Cr(2) and two equivalent Si(1) atoms. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to two equivalent Cr(1) and eight equivalent Cr(2) atoms. is represented by the CIF card [CIF]
data_Cr5Si3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.548
_cell_length_b   6.759
_cell_length_c   6.759
_cell_angle_alpha   83.503
_cell_angle_beta   70.349
_cell_angle_gamma   70.348
_symmetry_Int_Tables_number   1
_cell_volume   184.301
_cell_formula_units_Z   2
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  0.250  0.500  0.500  1.0
  Cr  Cr1  1  0.750  0.500  0.500  1.0
  Cr  Cr2  1  0.077  0.152  0.696  1.0
  Cr  Cr3  1  0.772  0.304  0.152  1.0
  Cr  Cr4  1  0.228  0.696  0.848  1.0
  Cr  Cr5  1  0.923  0.848  0.304  1.0
  Cr  Cr6  1  0.272  0.152  0.304  1.0
  Cr  Cr7  1  0.728  0.848  0.696  1.0
  Cr  Cr8  1  0.423  0.304  0.848  1.0
  Cr  Cr9  1  0.577  0.696  0.152  1.0
  Si  Si10  1  0.250  1.000  0.000  1.0
  Si  Si11  1  0.750  0.000  1.000  1.0
  Si  Si12  1  0.167  0.500  0.165  1.0
  Si  Si13  1  0.333  0.835  0.500  1.0
  Si  Si14  1  0.667  0.165  0.500  1.0
  Si  Si15  1  0.833  0.500  0.835  1.0
[/CIF]
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