The compound described by Mn3Fe9P4 crystallizes in the triclinic P1 space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 2-coordinate geometry to one Fe(6), one Fe(8), one P(1), and one P(3) atom. In the second Mn site, Mn(2) is bonded in a 2-coordinate geometry to one Fe(7), one Fe(8), one P(2), and one P(4) atom. In the third Mn site, Mn(3) is bonded in a 4-coordinate geometry to one Fe(1), two equivalent Fe(8), one P(2), and one P(3) atom. There are nine inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 3-coordinate geometry to one Mn(3), one Fe(8), one P(1), and one P(4) atom. In the second Fe site, Fe(2) is bonded in a 4-coordinate geometry to one P(3), one P(4), and two equivalent P(1) atoms. In the third Fe site, Fe(3) is bonded in a 4-coordinate geometry to one Fe(8), one P(3), one P(4), and two equivalent P(2) atoms. In the fourth Fe site, Fe(4) is bonded in a 4-coordinate geometry to one Fe(8), one P(1), one P(2), and two equivalent P(3) atoms. In the fifth Fe site, Fe(5) is bonded in a 4-coordinate geometry to one Fe(8), one P(1), one P(2), and two equivalent P(4) atoms. In the sixth Fe site, Fe(6) is bonded in a 4-coordinate geometry to one Mn(1), one P(1), one P(2), and one P(3) atom. In the seventh Fe site, Fe(7) is bonded in a 4-coordinate geometry to one Mn(2), one P(1), one P(2), and one P(4) atom. In the eighth Fe site, Fe(8) is bonded in a 13-coordinate geometry to one Mn(1), one Mn(2), two equivalent Mn(3), one Fe(1), one Fe(3), one Fe(4), one Fe(5), two equivalent Fe(9), one P(2), one P(3), and one P(4) atom. In the ninth Fe site, Fe(9) is bonded in a 3-coordinate geometry to two equivalent Fe(8), one P(1), one P(3), and one P(4) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to one Mn(1), one Fe(1), one Fe(4), one Fe(5), one Fe(6), one Fe(7), one Fe(9), and two equivalent Fe(2) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to one Mn(2), one Mn(3), one Fe(4), one Fe(5), one Fe(6), one Fe(7), one Fe(8), and two equivalent Fe(3) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to one Mn(1), one Mn(3), one Fe(2), one Fe(3), one Fe(6), one Fe(8), one Fe(9), and two equivalent Fe(4) atoms. In the fourth P site, P(4) is bonded in a 9-coordinate geometry to one Mn(2), one Fe(1), one Fe(2), one Fe(3), one Fe(7), one Fe(8), one Fe(9), and two equivalent Fe(5) atoms. is represented by the CIF card [CIF]
data_Mn3Fe9P4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.416
_cell_length_b   6.733
_cell_length_c   6.750
_cell_angle_alpha   83.711
_cell_angle_beta   70.924
_cell_angle_gamma   70.884
_symmetry_Int_Tables_number   1
_cell_volume   179.202
_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
  Mn  Mn0  1  0.162  0.180  0.974  1.0
  Mn  Mn1  1  0.316  0.820  0.025  1.0
  Mn  Mn2  1  0.865  0.973  0.815  1.0
  Fe  Fe3  1  0.658  0.026  0.187  1.0
  Fe  Fe4  1  0.627  0.391  0.330  1.0
  Fe  Fe5  1  0.349  0.609  0.670  1.0
  Fe  Fe6  1  0.042  0.330  0.609  1.0
  Fe  Fe7  1  0.982  0.670  0.392  1.0
  Fe  Fe8  1  0.585  0.390  0.952  1.0
  Fe  Fe9  1  0.926  0.610  0.049  1.0
  Fe  Fe10  1  0.465  0.952  0.609  1.0
  Fe  Fe11  1  0.026  0.050  0.390  1.0
  P  P12  1  0.200  0.338  0.247  1.0
  P  P13  1  0.784  0.662  0.752  1.0
  P  P14  1  0.550  0.249  0.664  1.0
  P  P15  1  0.464  0.752  0.336  1.0
[/CIF]
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The compound described by Mn3Fe9P4 crystallizes in the triclinic P1 space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 2-coordinate geometry to one Fe(6), one Fe(8), one P(1), and one P(3) atom. In the second Mn site, Mn(2) is bonded in a 2-coordinate geometry to one Fe(7), one Fe(8), one P(2), and one P(4) atom. In the third Mn site, Mn(3) is bonded in a 4-coordinate geometry to one Fe(1), two equivalent Fe(8), one P(2), and one P(3) atom. There are nine inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 3-coordinate geometry to one Mn(3), one Fe(8), one P(1), and one P(4) atom. In the second Fe site, Fe(2) is bonded in a 4-coordinate geometry to one P(3), one P(4), and two equivalent P(1) atoms. In the third Fe site, Fe(3) is bonded in a 4-coordinate geometry to one Fe(8), one P(3), one P(4), and two equivalent P(2) atoms. In the fourth Fe site, Fe(4) is bonded in a 4-coordinate geometry to one Fe(8), one P(1), one P(2), and two equivalent P(3) atoms. In the fifth Fe site, Fe(5) is bonded in a 4-coordinate geometry to one Fe(8), one P(1), one P(2), and two equivalent P(4) atoms. In the sixth Fe site, Fe(6) is bonded in a 4-coordinate geometry to one Mn(1), one P(1), one P(2), and one P(3) atom. In the seventh Fe site, Fe(7) is bonded in a 4-coordinate geometry to one Mn(2), one P(1), one P(2), and one P(4) atom. In the eighth Fe site, Fe(8) is bonded in a 13-coordinate geometry to one Mn(1), one Mn(2), two equivalent Mn(3), one Fe(1), one Fe(3), one Fe(4), one Fe(5), two equivalent Fe(9), one P(2), one P(3), and one P(4) atom. In the ninth Fe site, Fe(9) is bonded in a 3-coordinate geometry to two equivalent Fe(8), one P(1), one P(3), and one P(4) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to one Mn(1), one Fe(1), one Fe(4), one Fe(5), one Fe(6), one Fe(7), one Fe(9), and two equivalent Fe(2) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to one Mn(2), one Mn(3), one Fe(4), one Fe(5), one Fe(6), one Fe(7), one Fe(8), and two equivalent Fe(3) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to one Mn(1), one Mn(3), one Fe(2), one Fe(3), one Fe(6), one Fe(8), one Fe(9), and two equivalent Fe(4) atoms. In the fourth P site, P(4) is bonded in a 9-coordinate geometry to one Mn(2), one Fe(1), one Fe(2), one Fe(3), one Fe(7), one Fe(8), one Fe(9), and two equivalent Fe(5) atoms. is represented by the CIF card [CIF]
data_Mn3Fe9P4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.416
_cell_length_b   6.733
_cell_length_c   6.750
_cell_angle_alpha   83.711
_cell_angle_beta   70.924
_cell_angle_gamma   70.884
_symmetry_Int_Tables_number   1
_cell_volume   179.202
_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
  Mn  Mn0  1  0.162  0.180  0.974  1.0
  Mn  Mn1  1  0.316  0.820  0.025  1.0
  Mn  Mn2  1  0.865  0.973  0.815  1.0
  Fe  Fe3  1  0.658  0.026  0.187  1.0
  Fe  Fe4  1  0.627  0.391  0.330  1.0
  Fe  Fe5  1  0.349  0.609  0.670  1.0
  Fe  Fe6  1  0.042  0.330  0.609  1.0
  Fe  Fe7  1  0.982  0.670  0.392  1.0
  Fe  Fe8  1  0.585  0.390  0.952  1.0
  Fe  Fe9  1  0.926  0.610  0.049  1.0
  Fe  Fe10  1  0.465  0.952  0.609  1.0
  Fe  Fe11  1  0.026  0.050  0.390  1.0
  P  P12  1  0.200  0.338  0.247  1.0
  P  P13  1  0.784  0.662  0.752  1.0
  P  P14  1  0.550  0.249  0.664  1.0
  P  P15  1  0.464  0.752  0.336  1.0
[/CIF]
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