The crystal structure described by Fe5SiP crystallizes in the monoclinic Cm space group. There are twenty inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a distorted tetrahedral geometry to one P(2), one P(3), and two equivalent P(4) atoms. In the second Fe site, Fe(2) is bonded in a 4-coordinate geometry to two equivalent Fe(18), two equivalent Si(1), one P(1), and one P(5) atom. In the third Fe site, Fe(3) is bonded in a 13-coordinate geometry to one Fe(11), one Fe(17), one Fe(7), two equivalent Fe(12), two equivalent Fe(15), two equivalent Fe(8), two equivalent Si(2), one P(1), and one P(3) atom. In the fourth Fe site, Fe(4) is bonded in a 13-coordinate geometry to one Fe(11), one Fe(18), one Fe(7), two equivalent Fe(12), two equivalent Fe(15), two equivalent Fe(8), two equivalent Si(2), one P(1), and one P(4) atom. In the fifth Fe site, Fe(5) is bonded in a 13-coordinate geometry to one Fe(13), one Fe(19), one Fe(9), two equivalent Fe(10), two equivalent Fe(14), two equivalent Fe(16), two equivalent Si(3), one P(2), and one P(5) atom. In the sixth Fe site, Fe(6) is bonded in a 13-coordinate geometry to one Fe(13), one Fe(20), one Fe(9), two equivalent Fe(10), two equivalent Fe(14), two equivalent Fe(16), one Si(1), two equivalent Si(3), and one P(2) atom. In the seventh Fe site, Fe(7) is bonded in a 4-coordinate geometry to one Fe(3), two equivalent Fe(18), two equivalent Fe(4), two equivalent Si(2), one P(1), and one P(5) atom. In the eighth Fe site, Fe(8) is bonded in a 1-coordinate geometry to one Fe(3), two equivalent Fe(18), two equivalent Fe(4), one Si(1), two equivalent Si(2), and one P(1) atom. In the ninth Fe site, Fe(9) is bonded in a 4-coordinate geometry to one Fe(5), two equivalent Fe(6), two equivalent Si(3), one P(2), and one P(3) atom. In the tenth Fe site, Fe(10) is bonded in a 4-coordinate geometry to one Fe(5), two equivalent Fe(6), two equivalent Si(3), one P(2), and one P(4) atom. In the eleventh Fe site, Fe(11) is bonded in a distorted trigonal non-coplanar geometry to one Fe(3), two equivalent Fe(4), one P(1), and two equivalent P(4) atoms. In the twelfth Fe site, Fe(12) is bonded in a distorted trigonal non-coplanar geometry to one Fe(3), two equivalent Fe(4), one P(1), one P(3), and one P(4) atom. In the thirteenth Fe site, Fe(13) is bonded in a 3-coordinate geometry to one Fe(5), two equivalent Fe(6), two equivalent Si(1), and one P(2) atom. In the fourteenth Fe site, Fe(14) is bonded in a 3-coordinate geometry to one Fe(18), one Fe(5), two equivalent Fe(6), one Si(1), one P(2), and one P(5) atom. In the fifteenth Fe site, Fe(15) is bonded in a distorted trigonal non-coplanar geometry to one Fe(3), two equivalent Fe(4), one Si(2), one P(3), and two equivalent P(4) atoms. In the sixteenth Fe site, Fe(16) is bonded in a 1-coordinate geometry to one Fe(5), two equivalent Fe(6), one Si(3), two equivalent Si(1), and one P(5) atom. In the seventeenth Fe site, Fe(17) is bonded in a distorted single-bond geometry to one Fe(3), two equivalent Si(1), two equivalent Si(2), and one P(5) atom. In the eighteenth Fe site, Fe(18) is bonded in a 11-coordinate geometry to one Fe(14), one Fe(2), one Fe(4), one Fe(7), two equivalent Fe(8), two equivalent Si(1), two equivalent Si(2), and one P(5) atom. In the nineteenth Fe site, Fe(19) is bonded in a distorted single-bond geometry to one Fe(5), two equivalent Si(3), one P(3), and two equivalent P(4) atoms. In the twentieth Fe site, Fe(20) is bonded in a distorted single-bond geometry to one Fe(6), two equivalent Si(3), one P(3), and two equivalent P(4) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 10-coordinate geometry to one Fe(13), one Fe(14), one Fe(17), one Fe(2), one Fe(6), one Fe(8), two equivalent Fe(16), and two equivalent Fe(18) atoms. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to one Fe(15), one Fe(17), one Fe(3), one Fe(7), two equivalent Fe(18), two equivalent Fe(4), and two equivalent Fe(8) atoms. In the third Si site, Si(3) is bonded in a 10-coordinate geometry to one Fe(16), one Fe(19), one Fe(5), one Fe(9), two equivalent Fe(10), two equivalent Fe(20), and two equivalent Fe(6) atoms. There are five inequivalent P sites. In the first P site, P(1) is bonded in a 10-coordinate geometry to one Fe(11), one Fe(2), one Fe(3), one Fe(7), two equivalent Fe(12), two equivalent Fe(4), and two equivalent Fe(8) atoms. In the second P site, P(2) is bonded in a 10-coordinate geometry to one Fe(1), one Fe(13), one Fe(5), one Fe(9), two equivalent Fe(10), two equivalent Fe(14), and two equivalent Fe(6) atoms. In the third P site, P(3) is bonded in a 10-coordinate geometry to one Fe(1), one Fe(19), one Fe(3), one Fe(9), two equivalent Fe(12), two equivalent Fe(15), and two equivalent Fe(20) atoms. In the fourth P site, P(4) is bonded in a 10-coordinate geometry to one Fe(1), one Fe(10), one Fe(11), one Fe(12), one Fe(19), one Fe(4), two equivalent Fe(15), and two equivalent Fe(20) atoms. In the fifth P site, P(5) is bonded in a 10-coordinate geometry to one Fe(17), one Fe(2), one Fe(5), one Fe(7), two equivalent Fe(14), two equivalent Fe(16), and two equivalent Fe(18) atoms. is represented by the CIF file [CIF]
data_Fe5SiP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.672
_cell_length_b   6.672
_cell_length_c   12.216
_cell_angle_alpha   89.759
_cell_angle_beta   89.759
_cell_angle_gamma   119.780
_symmetry_Int_Tables_number   1
_cell_volume   471.955
_cell_formula_units_Z   6
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
  Fe  Fe0  1  1.000  1.000  0.550  1.0
  Fe  Fe1  1  0.999  0.999  0.051  1.0
  Fe  Fe2  1  0.381  0.381  0.292  1.0
  Fe  Fe3  1  0.619  0.000  0.293  1.0
  Fe  Fe4  1  0.000  0.619  0.293  1.0
  Fe  Fe5  1  0.625  0.625  0.790  1.0
  Fe  Fe6  1  0.373  0.998  0.789  1.0
  Fe  Fe7  1  0.998  0.373  0.789  1.0
  Fe  Fe8  1  0.694  0.694  0.175  1.0
  Fe  Fe9  1  0.307  0.003  0.178  1.0
  Fe  Fe10  1  0.003  0.307  0.178  1.0
  Fe  Fe11  1  0.302  0.302  0.673  1.0
  Fe  Fe12  1  0.697  0.000  0.674  1.0
  Fe  Fe13  1  0.000  0.697  0.674  1.0
  Fe  Fe14  1  0.758  0.758  0.383  1.0
  Fe  Fe15  1  0.242  0.001  0.383  1.0
  Fe  Fe16  1  0.001  0.242  0.383  1.0
  Fe  Fe17  1  0.243  0.243  0.879  1.0
  Fe  Fe18  1  0.736  0.999  0.884  1.0
  Fe  Fe19  1  0.999  0.736  0.884  1.0
  Fe  Fe20  1  0.667  0.333  0.421  1.0
  Fe  Fe21  1  0.333  0.667  0.421  1.0
  Fe  Fe22  1  0.341  0.663  0.916  1.0
  Fe  Fe23  1  0.663  0.341  0.916  1.0
  Fe  Fe24  1  0.375  0.375  0.074  1.0
  Fe  Fe25  1  0.636  0.007  0.084  1.0
  Fe  Fe26  1  0.007  0.636  0.084  1.0
  Fe  Fe27  1  0.619  0.619  0.576  1.0
  Fe  Fe28  1  0.380  0.999  0.576  1.0
  Fe  Fe29  1  0.999  0.380  0.576  1.0
  Si  Si30  1  0.334  1.000  0.985  1.0
  Si  Si31  1  1.000  0.334  0.985  1.0
  Si  Si32  1  0.668  0.335  0.206  1.0
  Si  Si33  1  0.335  0.668  0.206  1.0
  Si  Si34  1  0.333  0.665  0.705  1.0
  Si  Si35  1  0.665  0.333  0.705  1.0
  P  P36  1  0.997  0.997  0.247  1.0
  P  P37  1  0.998  0.998  0.749  1.0
  P  P38  1  0.330  0.330  0.483  1.0
  P  P39  1  0.670  0.999  0.484  1.0
  P  P40  1  0.999  0.670  0.484  1.0
  P  P41  1  0.673  0.673  0.987  1.0
[/CIF]
.
The crystal structure described by Fe5SiP crystallizes in the monoclinic Cm space group. There are twenty inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a distorted tetrahedral geometry to one P(2), one P(3), and two equivalent P(4) atoms. In the second Fe site, Fe(2) is bonded in a 4-coordinate geometry to two equivalent Fe(18), two equivalent Si(1), one P(1), and one P(5) atom. In the third Fe site, Fe(3) is bonded in a 13-coordinate geometry to one Fe(11), one Fe(17), one Fe(7), two equivalent Fe(12), two equivalent Fe(15), two equivalent Fe(8), two equivalent Si(2), one P(1), and one P(3) atom. In the fourth Fe site, Fe(4) is bonded in a 13-coordinate geometry to one Fe(11), one Fe(18), one Fe(7), two equivalent Fe(12), two equivalent Fe(15), two equivalent Fe(8), two equivalent Si(2), one P(1), and one P(4) atom. In the fifth Fe site, Fe(5) is bonded in a 13-coordinate geometry to one Fe(13), one Fe(19), one Fe(9), two equivalent Fe(10), two equivalent Fe(14), two equivalent Fe(16), two equivalent Si(3), one P(2), and one P(5) atom. In the sixth Fe site, Fe(6) is bonded in a 13-coordinate geometry to one Fe(13), one Fe(20), one Fe(9), two equivalent Fe(10), two equivalent Fe(14), two equivalent Fe(16), one Si(1), two equivalent Si(3), and one P(2) atom. In the seventh Fe site, Fe(7) is bonded in a 4-coordinate geometry to one Fe(3), two equivalent Fe(18), two equivalent Fe(4), two equivalent Si(2), one P(1), and one P(5) atom. In the eighth Fe site, Fe(8) is bonded in a 1-coordinate geometry to one Fe(3), two equivalent Fe(18), two equivalent Fe(4), one Si(1), two equivalent Si(2), and one P(1) atom. In the ninth Fe site, Fe(9) is bonded in a 4-coordinate geometry to one Fe(5), two equivalent Fe(6), two equivalent Si(3), one P(2), and one P(3) atom. In the tenth Fe site, Fe(10) is bonded in a 4-coordinate geometry to one Fe(5), two equivalent Fe(6), two equivalent Si(3), one P(2), and one P(4) atom. In the eleventh Fe site, Fe(11) is bonded in a distorted trigonal non-coplanar geometry to one Fe(3), two equivalent Fe(4), one P(1), and two equivalent P(4) atoms. In the twelfth Fe site, Fe(12) is bonded in a distorted trigonal non-coplanar geometry to one Fe(3), two equivalent Fe(4), one P(1), one P(3), and one P(4) atom. In the thirteenth Fe site, Fe(13) is bonded in a 3-coordinate geometry to one Fe(5), two equivalent Fe(6), two equivalent Si(1), and one P(2) atom. In the fourteenth Fe site, Fe(14) is bonded in a 3-coordinate geometry to one Fe(18), one Fe(5), two equivalent Fe(6), one Si(1), one P(2), and one P(5) atom. In the fifteenth Fe site, Fe(15) is bonded in a distorted trigonal non-coplanar geometry to one Fe(3), two equivalent Fe(4), one Si(2), one P(3), and two equivalent P(4) atoms. In the sixteenth Fe site, Fe(16) is bonded in a 1-coordinate geometry to one Fe(5), two equivalent Fe(6), one Si(3), two equivalent Si(1), and one P(5) atom. In the seventeenth Fe site, Fe(17) is bonded in a distorted single-bond geometry to one Fe(3), two equivalent Si(1), two equivalent Si(2), and one P(5) atom. In the eighteenth Fe site, Fe(18) is bonded in a 11-coordinate geometry to one Fe(14), one Fe(2), one Fe(4), one Fe(7), two equivalent Fe(8), two equivalent Si(1), two equivalent Si(2), and one P(5) atom. In the nineteenth Fe site, Fe(19) is bonded in a distorted single-bond geometry to one Fe(5), two equivalent Si(3), one P(3), and two equivalent P(4) atoms. In the twentieth Fe site, Fe(20) is bonded in a distorted single-bond geometry to one Fe(6), two equivalent Si(3), one P(3), and two equivalent P(4) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 10-coordinate geometry to one Fe(13), one Fe(14), one Fe(17), one Fe(2), one Fe(6), one Fe(8), two equivalent Fe(16), and two equivalent Fe(18) atoms. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to one Fe(15), one Fe(17), one Fe(3), one Fe(7), two equivalent Fe(18), two equivalent Fe(4), and two equivalent Fe(8) atoms. In the third Si site, Si(3) is bonded in a 10-coordinate geometry to one Fe(16), one Fe(19), one Fe(5), one Fe(9), two equivalent Fe(10), two equivalent Fe(20), and two equivalent Fe(6) atoms. There are five inequivalent P sites. In the first P site, P(1) is bonded in a 10-coordinate geometry to one Fe(11), one Fe(2), one Fe(3), one Fe(7), two equivalent Fe(12), two equivalent Fe(4), and two equivalent Fe(8) atoms. In the second P site, P(2) is bonded in a 10-coordinate geometry to one Fe(1), one Fe(13), one Fe(5), one Fe(9), two equivalent Fe(10), two equivalent Fe(14), and two equivalent Fe(6) atoms. In the third P site, P(3) is bonded in a 10-coordinate geometry to one Fe(1), one Fe(19), one Fe(3), one Fe(9), two equivalent Fe(12), two equivalent Fe(15), and two equivalent Fe(20) atoms. In the fourth P site, P(4) is bonded in a 10-coordinate geometry to one Fe(1), one Fe(10), one Fe(11), one Fe(12), one Fe(19), one Fe(4), two equivalent Fe(15), and two equivalent Fe(20) atoms. In the fifth P site, P(5) is bonded in a 10-coordinate geometry to one Fe(17), one Fe(2), one Fe(5), one Fe(7), two equivalent Fe(14), two equivalent Fe(16), and two equivalent Fe(18) atoms. is represented by the CIF file [CIF]
data_Fe5SiP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.672
_cell_length_b   6.672
_cell_length_c   12.216
_cell_angle_alpha   89.759
_cell_angle_beta   89.759
_cell_angle_gamma   119.780
_symmetry_Int_Tables_number   1
_cell_volume   471.955
_cell_formula_units_Z   6
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
  Fe  Fe0  1  1.000  1.000  0.550  1.0
  Fe  Fe1  1  0.999  0.999  0.051  1.0
  Fe  Fe2  1  0.381  0.381  0.292  1.0
  Fe  Fe3  1  0.619  0.000  0.293  1.0
  Fe  Fe4  1  0.000  0.619  0.293  1.0
  Fe  Fe5  1  0.625  0.625  0.790  1.0
  Fe  Fe6  1  0.373  0.998  0.789  1.0
  Fe  Fe7  1  0.998  0.373  0.789  1.0
  Fe  Fe8  1  0.694  0.694  0.175  1.0
  Fe  Fe9  1  0.307  0.003  0.178  1.0
  Fe  Fe10  1  0.003  0.307  0.178  1.0
  Fe  Fe11  1  0.302  0.302  0.673  1.0
  Fe  Fe12  1  0.697  0.000  0.674  1.0
  Fe  Fe13  1  0.000  0.697  0.674  1.0
  Fe  Fe14  1  0.758  0.758  0.383  1.0
  Fe  Fe15  1  0.242  0.001  0.383  1.0
  Fe  Fe16  1  0.001  0.242  0.383  1.0
  Fe  Fe17  1  0.243  0.243  0.879  1.0
  Fe  Fe18  1  0.736  0.999  0.884  1.0
  Fe  Fe19  1  0.999  0.736  0.884  1.0
  Fe  Fe20  1  0.667  0.333  0.421  1.0
  Fe  Fe21  1  0.333  0.667  0.421  1.0
  Fe  Fe22  1  0.341  0.663  0.916  1.0
  Fe  Fe23  1  0.663  0.341  0.916  1.0
  Fe  Fe24  1  0.375  0.375  0.074  1.0
  Fe  Fe25  1  0.636  0.007  0.084  1.0
  Fe  Fe26  1  0.007  0.636  0.084  1.0
  Fe  Fe27  1  0.619  0.619  0.576  1.0
  Fe  Fe28  1  0.380  0.999  0.576  1.0
  Fe  Fe29  1  0.999  0.380  0.576  1.0
  Si  Si30  1  0.334  1.000  0.985  1.0
  Si  Si31  1  1.000  0.334  0.985  1.0
  Si  Si32  1  0.668  0.335  0.206  1.0
  Si  Si33  1  0.335  0.668  0.206  1.0
  Si  Si34  1  0.333  0.665  0.705  1.0
  Si  Si35  1  0.665  0.333  0.705  1.0
  P  P36  1  0.997  0.997  0.247  1.0
  P  P37  1  0.998  0.998  0.749  1.0
  P  P38  1  0.330  0.330  0.483  1.0
  P  P39  1  0.670  0.999  0.484  1.0
  P  P40  1  0.999  0.670  0.484  1.0
  P  P41  1  0.673  0.673  0.987  1.0
[/CIF]
.