The compound described by Fe9BP2 crystallizes in the triclinic P1 space group. There are thirty-six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 2-coordinate geometry to one B(3), one B(4), and one P(3) atom. In the second Fe site, Fe(2) is bonded in a 3-coordinate geometry to one B(1), one P(1), and one P(4) atom. In the third Fe site, Fe(3) is bonded in a 3-coordinate geometry to one B(2), one P(2), and one P(5) atom. In the fourth Fe site, Fe(4) is bonded in a 3-coordinate geometry to one B(1), one P(1), and one P(6) atom. In the fifth Fe site, Fe(5) is bonded in a 3-coordinate geometry to one B(2), one P(2), and one P(7) atom. In the sixth Fe site, Fe(6) is bonded in a 2-coordinate geometry to one B(3), one B(4), and one P(8) atom. In the seventh Fe site, Fe(7) is bonded in a 3-coordinate geometry to one B(4), one P(3), and one P(6) atom. In the eighth Fe site, Fe(8) is bonded in a 3-coordinate geometry to one P(1), one P(4), and one P(7) atom. In the ninth Fe site, Fe(9) is bonded in a 3-coordinate geometry to one P(2), one P(5), and one P(8) atom. In the tenth Fe site, Fe(10) is bonded in a 3-coordinate geometry to one B(1), one P(3), and one P(6) atom. In the eleventh Fe site, Fe(11) is bonded in a 3-coordinate geometry to one B(2), one P(4), and one P(7) atom. In the twelfth Fe site, Fe(12) is bonded in a 3-coordinate geometry to one B(3), one P(5), and one P(8) atom. In the thirteenth Fe site, Fe(13) is bonded in a 4-coordinate geometry to two equivalent B(1), one P(3), and one P(6) atom. In the fourteenth Fe site, Fe(14) is bonded in a 4-coordinate geometry to two equivalent B(2), one P(4), and one P(7) atom. In the fifteenth Fe site, Fe(15) is bonded in a 4-coordinate geometry to two equivalent B(3), one P(5), and one P(8) atom. In the sixteenth Fe site, Fe(16) is bonded in a 4-coordinate geometry to two equivalent B(4), one P(3), and one P(6) atom. In the seventeenth Fe site, Fe(17) is bonded in a 4-coordinate geometry to one P(4), one P(7), and two equivalent P(1) atoms. In the eighteenth Fe site, Fe(18) is bonded in a 4-coordinate geometry to one P(5), one P(8), and two equivalent P(2) atoms. In the nineteenth Fe site, Fe(19) is bonded to one B(1), one B(4), and two equivalent P(3) atoms to form distorted corner-sharing FeB2P2 tetrahedra. In the twentieth Fe site, Fe(20) is bonded to one B(2), one P(1), and two equivalent P(4) atoms to form distorted corner-sharing FeBP3 tetrahedra. In the twenty-first Fe site, Fe(21) is bonded to one B(3), one P(2), and two equivalent P(5) atoms to form a mixture of distorted corner and edge-sharing FeBP3 tetrahedra. In the twenty-second Fe site, Fe(22) is bonded in a 4-coordinate geometry to one B(1), one B(4), and two equivalent P(6) atoms. In the twenty-third Fe site, Fe(23) is bonded in a 4-coordinate geometry to one B(2), one P(1), and two equivalent P(7) atoms. In the twenty-fourth Fe site, Fe(24) is bonded to one B(3), one P(2), and two equivalent P(8) atoms to form a mixture of distorted corner and edge-sharing FeBP3 tetrahedra. In the twenty-fifth Fe site, Fe(25) is bonded in a distorted water-like geometry to one B(3) and one P(3) atom. In the twenty-sixth Fe site, Fe(26) is bonded in a 2-coordinate geometry to one B(1) and one P(4) atom. In the twenty-seventh Fe site, Fe(27) is bonded in a 2-coordinate geometry to one B(2) and one P(5) atom. In the twenty-eighth Fe site, Fe(28) is bonded in a distorted water-like geometry to one P(1) and one P(6) atom. In the twenty-ninth Fe site, Fe(29) is bonded in a 2-coordinate geometry to one P(2) and one P(7) atom. In the thirtieth Fe site, Fe(30) is bonded in a 2-coordinate geometry to one B(4) and one P(8) atom. In the thirty-first Fe site, Fe(31) is bonded in a 2-coordinate geometry to one B(4) and one P(3) atom. In the thirty-second Fe site, Fe(32) is bonded in a 2-coordinate geometry to one P(1) and one P(4) atom. In the thirty-third Fe site, Fe(33) is bonded in a 2-coordinate geometry to one P(2) and one P(5) atom. In the thirty-fourth Fe site, Fe(34) is bonded in a 2-coordinate geometry to one B(1) and one P(6) atom. In the thirty-fifth Fe site, Fe(35) is bonded in a 2-coordinate geometry to one B(2) and one P(7) atom. In the thirty-sixth Fe site, Fe(36) is bonded in a 2-coordinate geometry to one B(3) and one P(8) atom. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to one Fe(10), one Fe(19), one Fe(2), one Fe(22), one Fe(26), one Fe(34), one Fe(4), and two equivalent Fe(13) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to one Fe(11), one Fe(20), one Fe(23), one Fe(27), one Fe(3), one Fe(35), one Fe(5), and two equivalent Fe(14) atoms. In the third B site, B(3) is bonded in a 9-coordinate geometry to one Fe(1), one Fe(12), one Fe(21), one Fe(24), one Fe(25), one Fe(36), one Fe(6), and two equivalent Fe(15) atoms. In the fourth B site, B(4) is bonded in a 9-coordinate geometry to one Fe(1), one Fe(19), one Fe(22), one Fe(30), one Fe(31), one Fe(6), one Fe(7), and two equivalent Fe(16) atoms. There are eight inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to one Fe(2), one Fe(20), one Fe(23), one Fe(28), one Fe(32), one Fe(4), one Fe(8), and two equivalent Fe(17) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to one Fe(21), one Fe(24), one Fe(29), one Fe(3), one Fe(33), one Fe(5), one Fe(9), and two equivalent Fe(18) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to one Fe(1), one Fe(10), one Fe(13), one Fe(16), one Fe(25), one Fe(31), one Fe(7), and two equivalent Fe(19) atoms. In the fourth P site, P(4) is bonded in a 9-coordinate geometry to one Fe(11), one Fe(14), one Fe(17), one Fe(2), one Fe(26), one Fe(32), one Fe(8), and two equivalent Fe(20) atoms. In the fifth P site, P(5) is bonded in a 9-coordinate geometry to one Fe(12), one Fe(15), one Fe(18), one Fe(27), one Fe(3), one Fe(33), one Fe(9), and two equivalent Fe(21) atoms. In the sixth P site, P(6) is bonded in a 9-coordinate geometry to one Fe(10), one Fe(13), one Fe(16), one Fe(28), one Fe(34), one Fe(4), one Fe(7), and two equivalent Fe(22) atoms. In the seventh P site, P(7) is bonded in a 9-coordinate geometry to one Fe(11), one Fe(14), one Fe(17), one Fe(29), one Fe(35), one Fe(5), one Fe(8), and two equivalent Fe(23) atoms. In the eighth P site, P(8) is bonded in a 9-coordinate geometry to one Fe(12), one Fe(15), one Fe(18), one Fe(30), one Fe(36), one Fe(6), one Fe(9), and two equivalent Fe(24) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe9BP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.350
_cell_length_b   6.707
_cell_length_c   18.758
_cell_angle_alpha   90.140
_cell_angle_beta   96.264
_cell_angle_gamma   108.811
_symmetry_Int_Tables_number   1
_cell_volume   514.575
_cell_formula_units_Z   4
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  0.937  0.400  0.990  1.0
  Fe  Fe1  1  0.271  0.393  0.657  1.0
  Fe  Fe2  1  0.602  0.396  0.322  1.0
  Fe  Fe3  1  0.907  0.603  0.686  1.0
  Fe  Fe4  1  0.233  0.603  0.349  1.0
  Fe  Fe5  1  0.545  0.600  0.008  1.0
  Fe  Fe6  1  0.157  0.945  0.873  1.0
  Fe  Fe7  1  0.493  0.947  0.538  1.0
  Fe  Fe8  1  0.825  0.948  0.202  1.0
  Fe  Fe9  1  0.674  0.061  0.796  1.0
  Fe  Fe10  1  0.997  0.054  0.462  1.0
  Fe  Fe11  1  0.330  0.051  0.127  1.0
  Fe  Fe12  1  0.573  0.391  0.776  1.0
  Fe  Fe13  1  0.904  0.388  0.441  1.0
  Fe  Fe14  1  0.238  0.385  0.106  1.0
  Fe  Fe15  1  0.745  0.610  0.891  1.0
  Fe  Fe16  1  0.078  0.605  0.556  1.0
  Fe  Fe17  1  0.410  0.605  0.220  1.0
  Fe  Fe18  1  0.121  0.343  0.870  1.0
  Fe  Fe19  1  0.444  0.327  0.532  1.0
  Fe  Fe20  1  0.776  0.328  0.197  1.0
  Fe  Fe21  1  0.247  0.659  0.800  1.0
  Fe  Fe22  1  0.573  0.654  0.460  1.0
  Fe  Fe23  1  0.900  0.650  0.123  1.0
  Fe  Fe24  1  0.334  0.187  0.995  1.0
  Fe  Fe25  1  0.674  0.190  0.664  1.0
  Fe  Fe26  1  0.002  0.189  0.328  1.0
  Fe  Fe27  1  0.487  0.819  0.677  1.0
  Fe  Fe28  1  0.817  0.818  0.341  1.0
  Fe  Fe29  1  0.153  0.812  0.003  1.0
  Fe  Fe30  1  0.697  0.956  0.936  1.0
  Fe  Fe31  1  0.060  0.975  0.607  1.0
  Fe  Fe32  1  0.391  0.975  0.272  1.0
  Fe  Fe33  1  0.140  0.046  0.732  1.0
  Fe  Fe34  1  0.467  0.045  0.397  1.0
  Fe  Fe35  1  0.799  0.042  0.061  1.0
  B  B36  1  0.035  0.340  0.753  1.0
  B  B37  1  0.361  0.336  0.417  1.0
  B  B38  1  0.693  0.332  0.082  1.0
  B  B39  1  0.275  0.663  0.915  1.0
  P  P40  1  0.622  0.661  0.585  1.0
  P  P41  1  0.953  0.663  0.248  1.0
  P  P42  1  0.578  0.249  0.890  1.0
  P  P43  1  0.912  0.247  0.556  1.0
  P  P44  1  0.244  0.247  0.221  1.0
  P  P45  1  0.776  0.756  0.781  1.0
  P  P46  1  0.110  0.754  0.446  1.0
  P  P47  1  0.440  0.752  0.109  1.0
[/CIF]
.
The compound described by Fe9BP2 crystallizes in the triclinic P1 space group. There are thirty-six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 2-coordinate geometry to one B(3), one B(4), and one P(3) atom. In the second Fe site, Fe(2) is bonded in a 3-coordinate geometry to one B(1), one P(1), and one P(4) atom. In the third Fe site, Fe(3) is bonded in a 3-coordinate geometry to one B(2), one P(2), and one P(5) atom. In the fourth Fe site, Fe(4) is bonded in a 3-coordinate geometry to one B(1), one P(1), and one P(6) atom. In the fifth Fe site, Fe(5) is bonded in a 3-coordinate geometry to one B(2), one P(2), and one P(7) atom. In the sixth Fe site, Fe(6) is bonded in a 2-coordinate geometry to one B(3), one B(4), and one P(8) atom. In the seventh Fe site, Fe(7) is bonded in a 3-coordinate geometry to one B(4), one P(3), and one P(6) atom. In the eighth Fe site, Fe(8) is bonded in a 3-coordinate geometry to one P(1), one P(4), and one P(7) atom. In the ninth Fe site, Fe(9) is bonded in a 3-coordinate geometry to one P(2), one P(5), and one P(8) atom. In the tenth Fe site, Fe(10) is bonded in a 3-coordinate geometry to one B(1), one P(3), and one P(6) atom. In the eleventh Fe site, Fe(11) is bonded in a 3-coordinate geometry to one B(2), one P(4), and one P(7) atom. In the twelfth Fe site, Fe(12) is bonded in a 3-coordinate geometry to one B(3), one P(5), and one P(8) atom. In the thirteenth Fe site, Fe(13) is bonded in a 4-coordinate geometry to two equivalent B(1), one P(3), and one P(6) atom. In the fourteenth Fe site, Fe(14) is bonded in a 4-coordinate geometry to two equivalent B(2), one P(4), and one P(7) atom. In the fifteenth Fe site, Fe(15) is bonded in a 4-coordinate geometry to two equivalent B(3), one P(5), and one P(8) atom. In the sixteenth Fe site, Fe(16) is bonded in a 4-coordinate geometry to two equivalent B(4), one P(3), and one P(6) atom. In the seventeenth Fe site, Fe(17) is bonded in a 4-coordinate geometry to one P(4), one P(7), and two equivalent P(1) atoms. In the eighteenth Fe site, Fe(18) is bonded in a 4-coordinate geometry to one P(5), one P(8), and two equivalent P(2) atoms. In the nineteenth Fe site, Fe(19) is bonded to one B(1), one B(4), and two equivalent P(3) atoms to form distorted corner-sharing FeB2P2 tetrahedra. In the twentieth Fe site, Fe(20) is bonded to one B(2), one P(1), and two equivalent P(4) atoms to form distorted corner-sharing FeBP3 tetrahedra. In the twenty-first Fe site, Fe(21) is bonded to one B(3), one P(2), and two equivalent P(5) atoms to form a mixture of distorted corner and edge-sharing FeBP3 tetrahedra. In the twenty-second Fe site, Fe(22) is bonded in a 4-coordinate geometry to one B(1), one B(4), and two equivalent P(6) atoms. In the twenty-third Fe site, Fe(23) is bonded in a 4-coordinate geometry to one B(2), one P(1), and two equivalent P(7) atoms. In the twenty-fourth Fe site, Fe(24) is bonded to one B(3), one P(2), and two equivalent P(8) atoms to form a mixture of distorted corner and edge-sharing FeBP3 tetrahedra. In the twenty-fifth Fe site, Fe(25) is bonded in a distorted water-like geometry to one B(3) and one P(3) atom. In the twenty-sixth Fe site, Fe(26) is bonded in a 2-coordinate geometry to one B(1) and one P(4) atom. In the twenty-seventh Fe site, Fe(27) is bonded in a 2-coordinate geometry to one B(2) and one P(5) atom. In the twenty-eighth Fe site, Fe(28) is bonded in a distorted water-like geometry to one P(1) and one P(6) atom. In the twenty-ninth Fe site, Fe(29) is bonded in a 2-coordinate geometry to one P(2) and one P(7) atom. In the thirtieth Fe site, Fe(30) is bonded in a 2-coordinate geometry to one B(4) and one P(8) atom. In the thirty-first Fe site, Fe(31) is bonded in a 2-coordinate geometry to one B(4) and one P(3) atom. In the thirty-second Fe site, Fe(32) is bonded in a 2-coordinate geometry to one P(1) and one P(4) atom. In the thirty-third Fe site, Fe(33) is bonded in a 2-coordinate geometry to one P(2) and one P(5) atom. In the thirty-fourth Fe site, Fe(34) is bonded in a 2-coordinate geometry to one B(1) and one P(6) atom. In the thirty-fifth Fe site, Fe(35) is bonded in a 2-coordinate geometry to one B(2) and one P(7) atom. In the thirty-sixth Fe site, Fe(36) is bonded in a 2-coordinate geometry to one B(3) and one P(8) atom. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to one Fe(10), one Fe(19), one Fe(2), one Fe(22), one Fe(26), one Fe(34), one Fe(4), and two equivalent Fe(13) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to one Fe(11), one Fe(20), one Fe(23), one Fe(27), one Fe(3), one Fe(35), one Fe(5), and two equivalent Fe(14) atoms. In the third B site, B(3) is bonded in a 9-coordinate geometry to one Fe(1), one Fe(12), one Fe(21), one Fe(24), one Fe(25), one Fe(36), one Fe(6), and two equivalent Fe(15) atoms. In the fourth B site, B(4) is bonded in a 9-coordinate geometry to one Fe(1), one Fe(19), one Fe(22), one Fe(30), one Fe(31), one Fe(6), one Fe(7), and two equivalent Fe(16) atoms. There are eight inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to one Fe(2), one Fe(20), one Fe(23), one Fe(28), one Fe(32), one Fe(4), one Fe(8), and two equivalent Fe(17) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to one Fe(21), one Fe(24), one Fe(29), one Fe(3), one Fe(33), one Fe(5), one Fe(9), and two equivalent Fe(18) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to one Fe(1), one Fe(10), one Fe(13), one Fe(16), one Fe(25), one Fe(31), one Fe(7), and two equivalent Fe(19) atoms. In the fourth P site, P(4) is bonded in a 9-coordinate geometry to one Fe(11), one Fe(14), one Fe(17), one Fe(2), one Fe(26), one Fe(32), one Fe(8), and two equivalent Fe(20) atoms. In the fifth P site, P(5) is bonded in a 9-coordinate geometry to one Fe(12), one Fe(15), one Fe(18), one Fe(27), one Fe(3), one Fe(33), one Fe(9), and two equivalent Fe(21) atoms. In the sixth P site, P(6) is bonded in a 9-coordinate geometry to one Fe(10), one Fe(13), one Fe(16), one Fe(28), one Fe(34), one Fe(4), one Fe(7), and two equivalent Fe(22) atoms. In the seventh P site, P(7) is bonded in a 9-coordinate geometry to one Fe(11), one Fe(14), one Fe(17), one Fe(29), one Fe(35), one Fe(5), one Fe(8), and two equivalent Fe(23) atoms. In the eighth P site, P(8) is bonded in a 9-coordinate geometry to one Fe(12), one Fe(15), one Fe(18), one Fe(30), one Fe(36), one Fe(6), one Fe(9), and two equivalent Fe(24) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe9BP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.350
_cell_length_b   6.707
_cell_length_c   18.758
_cell_angle_alpha   90.140
_cell_angle_beta   96.264
_cell_angle_gamma   108.811
_symmetry_Int_Tables_number   1
_cell_volume   514.575
_cell_formula_units_Z   4
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  0.937  0.400  0.990  1.0
  Fe  Fe1  1  0.271  0.393  0.657  1.0
  Fe  Fe2  1  0.602  0.396  0.322  1.0
  Fe  Fe3  1  0.907  0.603  0.686  1.0
  Fe  Fe4  1  0.233  0.603  0.349  1.0
  Fe  Fe5  1  0.545  0.600  0.008  1.0
  Fe  Fe6  1  0.157  0.945  0.873  1.0
  Fe  Fe7  1  0.493  0.947  0.538  1.0
  Fe  Fe8  1  0.825  0.948  0.202  1.0
  Fe  Fe9  1  0.674  0.061  0.796  1.0
  Fe  Fe10  1  0.997  0.054  0.462  1.0
  Fe  Fe11  1  0.330  0.051  0.127  1.0
  Fe  Fe12  1  0.573  0.391  0.776  1.0
  Fe  Fe13  1  0.904  0.388  0.441  1.0
  Fe  Fe14  1  0.238  0.385  0.106  1.0
  Fe  Fe15  1  0.745  0.610  0.891  1.0
  Fe  Fe16  1  0.078  0.605  0.556  1.0
  Fe  Fe17  1  0.410  0.605  0.220  1.0
  Fe  Fe18  1  0.121  0.343  0.870  1.0
  Fe  Fe19  1  0.444  0.327  0.532  1.0
  Fe  Fe20  1  0.776  0.328  0.197  1.0
  Fe  Fe21  1  0.247  0.659  0.800  1.0
  Fe  Fe22  1  0.573  0.654  0.460  1.0
  Fe  Fe23  1  0.900  0.650  0.123  1.0
  Fe  Fe24  1  0.334  0.187  0.995  1.0
  Fe  Fe25  1  0.674  0.190  0.664  1.0
  Fe  Fe26  1  0.002  0.189  0.328  1.0
  Fe  Fe27  1  0.487  0.819  0.677  1.0
  Fe  Fe28  1  0.817  0.818  0.341  1.0
  Fe  Fe29  1  0.153  0.812  0.003  1.0
  Fe  Fe30  1  0.697  0.956  0.936  1.0
  Fe  Fe31  1  0.060  0.975  0.607  1.0
  Fe  Fe32  1  0.391  0.975  0.272  1.0
  Fe  Fe33  1  0.140  0.046  0.732  1.0
  Fe  Fe34  1  0.467  0.045  0.397  1.0
  Fe  Fe35  1  0.799  0.042  0.061  1.0
  B  B36  1  0.035  0.340  0.753  1.0
  B  B37  1  0.361  0.336  0.417  1.0
  B  B38  1  0.693  0.332  0.082  1.0
  B  B39  1  0.275  0.663  0.915  1.0
  P  P40  1  0.622  0.661  0.585  1.0
  P  P41  1  0.953  0.663  0.248  1.0
  P  P42  1  0.578  0.249  0.890  1.0
  P  P43  1  0.912  0.247  0.556  1.0
  P  P44  1  0.244  0.247  0.221  1.0
  P  P45  1  0.776  0.756  0.781  1.0
  P  P46  1  0.110  0.754  0.446  1.0
  P  P47  1  0.440  0.752  0.109  1.0
[/CIF]
.