The compound described by Mn3FeO8 is Rutile-derived structured and crystallizes in the hexagonal P6_3mc space group. Mn(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form MnO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. Fe(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form FeO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra and edges with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Mn(1) and one Fe(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mn(1) and one Fe(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to three equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_Mn3FeO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.798
_cell_length_b   5.798
_cell_length_c   9.041
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   263.235
_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
  Mn  Mn0  1  0.168  0.832  0.212  1.0
  Mn  Mn1  1  0.168  0.335  0.212  1.0
  Mn  Mn2  1  0.665  0.832  0.212  1.0
  Mn  Mn3  1  0.335  0.168  0.712  1.0
  Mn  Mn4  1  0.832  0.665  0.712  1.0
  Mn  Mn5  1  0.832  0.168  0.712  1.0
  Fe  Fe6  1  0.333  0.667  0.495  1.0
  Fe  Fe7  1  0.667  0.333  0.995  1.0
  O  O8  1  0.163  0.837  0.601  1.0
  O  O9  1  0.041  0.520  0.335  1.0
  O  O10  1  0.333  0.667  0.103  1.0
  O  O11  1  0.000  0.000  0.317  1.0
  O  O12  1  0.000  0.000  0.817  1.0
  O  O13  1  0.163  0.326  0.601  1.0
  O  O14  1  0.480  0.959  0.335  1.0
  O  O15  1  0.480  0.520  0.335  1.0
  O  O16  1  0.326  0.163  0.101  1.0
  O  O17  1  0.674  0.837  0.601  1.0
  O  O18  1  0.520  0.480  0.835  1.0
  O  O19  1  0.520  0.041  0.835  1.0
  O  O20  1  0.667  0.333  0.603  1.0
  O  O21  1  0.837  0.674  0.101  1.0
  O  O22  1  0.959  0.480  0.835  1.0
  O  O23  1  0.837  0.163  0.101  1.0
[/CIF]
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The compound described by Mn3FeO8 is Rutile-derived structured and crystallizes in the hexagonal P6_3mc space group. Mn(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form MnO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. Fe(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form FeO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra and edges with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Mn(1) and one Fe(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mn(1) and one Fe(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to three equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_Mn3FeO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.798
_cell_length_b   5.798
_cell_length_c   9.041
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   263.235
_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
  Mn  Mn0  1  0.168  0.832  0.212  1.0
  Mn  Mn1  1  0.168  0.335  0.212  1.0
  Mn  Mn2  1  0.665  0.832  0.212  1.0
  Mn  Mn3  1  0.335  0.168  0.712  1.0
  Mn  Mn4  1  0.832  0.665  0.712  1.0
  Mn  Mn5  1  0.832  0.168  0.712  1.0
  Fe  Fe6  1  0.333  0.667  0.495  1.0
  Fe  Fe7  1  0.667  0.333  0.995  1.0
  O  O8  1  0.163  0.837  0.601  1.0
  O  O9  1  0.041  0.520  0.335  1.0
  O  O10  1  0.333  0.667  0.103  1.0
  O  O11  1  0.000  0.000  0.317  1.0
  O  O12  1  0.000  0.000  0.817  1.0
  O  O13  1  0.163  0.326  0.601  1.0
  O  O14  1  0.480  0.959  0.335  1.0
  O  O15  1  0.480  0.520  0.335  1.0
  O  O16  1  0.326  0.163  0.101  1.0
  O  O17  1  0.674  0.837  0.601  1.0
  O  O18  1  0.520  0.480  0.835  1.0
  O  O19  1  0.520  0.041  0.835  1.0
  O  O20  1  0.667  0.333  0.603  1.0
  O  O21  1  0.837  0.674  0.101  1.0
  O  O22  1  0.959  0.480  0.835  1.0
  O  O23  1  0.837  0.163  0.101  1.0
[/CIF]
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