The crystal structure described by Mn4Fe2P3 crystallizes in the monoclinic Pm space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one P(3), two equivalent P(1), and two equivalent P(2) atoms. In the second Mn site, Mn(2) is bonded in a 4-coordinate geometry to two equivalent Fe(1), two equivalent Fe(2), one P(1), one P(2), and two equivalent P(3) atoms. In the third Mn site, Mn(3) is bonded in a 4-coordinate geometry to two equivalent Fe(1), two equivalent Fe(2), one P(1), one P(2), and two equivalent P(3) atoms. In the fourth Mn site, Mn(4) is bonded in a 4-coordinate geometry to two equivalent Fe(1), two equivalent Fe(2), one P(1), one P(2), and two equivalent P(3) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 11-coordinate geometry to two equivalent Mn(2), two equivalent Mn(3), two equivalent Mn(4), one P(3), two equivalent P(1), and two equivalent P(2) atoms. In the second Fe site, Fe(2) is bonded in a 11-coordinate geometry to two equivalent Mn(2), two equivalent Mn(3), two equivalent Mn(4), one P(3), two equivalent P(1), and two equivalent P(2) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to one Mn(2), one Mn(3), one Mn(4), two equivalent Mn(1), two equivalent Fe(1), 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 Mn(4), two equivalent Mn(1), two equivalent Fe(1), and two equivalent Fe(2) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to one Mn(1), two equivalent Mn(2), two equivalent Mn(3), two equivalent Mn(4), one Fe(1), and one Fe(2) atom. is represented by the CIF card [CIF]
data_Mn4Fe2P3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.246
_cell_length_b   6.118
_cell_length_c   6.162
_cell_angle_alpha   59.911
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   105.881
_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  0.500  1.000  0.602  1.0
  Mn  Mn1  1  0.000  0.262  0.741  1.0
  Mn  Mn2  1  0.000  0.738  0.003  1.0
  Mn  Mn3  1  0.000  1.000  0.256  1.0
  Fe  Fe4  1  0.500  0.598  0.398  1.0
  Fe  Fe5  1  0.500  0.402  0.997  1.0
  P  P6  1  0.000  0.330  0.336  1.0
  P  P7  1  0.000  0.670  0.666  1.0
  P  P8  1  0.500  1.000  0.001  1.0
[/CIF]
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The crystal structure described by Mn4Fe2P3 crystallizes in the monoclinic Pm space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one P(3), two equivalent P(1), and two equivalent P(2) atoms. In the second Mn site, Mn(2) is bonded in a 4-coordinate geometry to two equivalent Fe(1), two equivalent Fe(2), one P(1), one P(2), and two equivalent P(3) atoms. In the third Mn site, Mn(3) is bonded in a 4-coordinate geometry to two equivalent Fe(1), two equivalent Fe(2), one P(1), one P(2), and two equivalent P(3) atoms. In the fourth Mn site, Mn(4) is bonded in a 4-coordinate geometry to two equivalent Fe(1), two equivalent Fe(2), one P(1), one P(2), and two equivalent P(3) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 11-coordinate geometry to two equivalent Mn(2), two equivalent Mn(3), two equivalent Mn(4), one P(3), two equivalent P(1), and two equivalent P(2) atoms. In the second Fe site, Fe(2) is bonded in a 11-coordinate geometry to two equivalent Mn(2), two equivalent Mn(3), two equivalent Mn(4), one P(3), two equivalent P(1), and two equivalent P(2) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to one Mn(2), one Mn(3), one Mn(4), two equivalent Mn(1), two equivalent Fe(1), 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 Mn(4), two equivalent Mn(1), two equivalent Fe(1), and two equivalent Fe(2) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to one Mn(1), two equivalent Mn(2), two equivalent Mn(3), two equivalent Mn(4), one Fe(1), and one Fe(2) atom. is represented by the CIF card [CIF]
data_Mn4Fe2P3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.246
_cell_length_b   6.118
_cell_length_c   6.162
_cell_angle_alpha   59.911
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   105.881
_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  0.500  1.000  0.602  1.0
  Mn  Mn1  1  0.000  0.262  0.741  1.0
  Mn  Mn2  1  0.000  0.738  0.003  1.0
  Mn  Mn3  1  0.000  1.000  0.256  1.0
  Fe  Fe4  1  0.500  0.598  0.398  1.0
  Fe  Fe5  1  0.500  0.402  0.997  1.0
  P  P6  1  0.000  0.330  0.336  1.0
  P  P7  1  0.000  0.670  0.666  1.0
  P  P8  1  0.500  1.000  0.001  1.0
[/CIF]
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