The compound described by Mn2FeSbO6 crystallizes in the monoclinic P2_1/c space group. Mn(1) is bonded in a 8-coordinate geometry to two equivalent O(3), three equivalent O(1), and three equivalent O(2) atoms. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with six equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-40°. Sb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SbO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-40°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Mn(1), one Fe(1), and one Sb(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to three equivalent Mn(1), one Fe(1), and one Sb(1) atom. In the third O site, O(3) is bonded to two equivalent Mn(1), one Fe(1), and one Sb(1) atom to form distorted corner-sharing OMn2FeSb tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn2FeSbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.466
_cell_length_b   5.318
_cell_length_c   9.368
_cell_angle_alpha   55.762
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   225.127
_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  0.950  0.264  0.747  1.0
  Mn  Mn1  1  0.550  0.264  0.247  1.0
  Mn  Mn2  1  0.050  0.736  0.253  1.0
  Mn  Mn3  1  0.450  0.736  0.753  1.0
  Fe  Fe4  1  0.000  0.500  0.000  1.0
  Fe  Fe5  1  0.500  0.500  0.500  1.0
  Sb  Sb6  1  0.000  0.000  0.500  1.0
  Sb  Sb7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.691  0.370  0.941  1.0
  O  O9  1  0.809  0.370  0.441  1.0
  O  O10  1  0.309  0.630  0.059  1.0
  O  O11  1  0.191  0.630  0.559  1.0
  O  O12  1  0.694  0.748  0.566  1.0
  O  O13  1  0.806  0.748  0.066  1.0
  O  O14  1  0.306  0.252  0.434  1.0
  O  O15  1  0.194  0.252  0.934  1.0
  O  O16  1  0.556  0.127  0.754  1.0
  O  O17  1  0.944  0.127  0.254  1.0
  O  O18  1  0.444  0.873  0.246  1.0
  O  O19  1  0.056  0.873  0.746  1.0
[/CIF]
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The compound described by Mn2FeSbO6 crystallizes in the monoclinic P2_1/c space group. Mn(1) is bonded in a 8-coordinate geometry to two equivalent O(3), three equivalent O(1), and three equivalent O(2) atoms. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with six equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-40°. Sb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SbO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-40°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Mn(1), one Fe(1), and one Sb(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to three equivalent Mn(1), one Fe(1), and one Sb(1) atom. In the third O site, O(3) is bonded to two equivalent Mn(1), one Fe(1), and one Sb(1) atom to form distorted corner-sharing OMn2FeSb tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn2FeSbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.466
_cell_length_b   5.318
_cell_length_c   9.368
_cell_angle_alpha   55.762
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   225.127
_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  0.950  0.264  0.747  1.0
  Mn  Mn1  1  0.550  0.264  0.247  1.0
  Mn  Mn2  1  0.050  0.736  0.253  1.0
  Mn  Mn3  1  0.450  0.736  0.753  1.0
  Fe  Fe4  1  0.000  0.500  0.000  1.0
  Fe  Fe5  1  0.500  0.500  0.500  1.0
  Sb  Sb6  1  0.000  0.000  0.500  1.0
  Sb  Sb7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.691  0.370  0.941  1.0
  O  O9  1  0.809  0.370  0.441  1.0
  O  O10  1  0.309  0.630  0.059  1.0
  O  O11  1  0.191  0.630  0.559  1.0
  O  O12  1  0.694  0.748  0.566  1.0
  O  O13  1  0.806  0.748  0.066  1.0
  O  O14  1  0.306  0.252  0.434  1.0
  O  O15  1  0.194  0.252  0.934  1.0
  O  O16  1  0.556  0.127  0.754  1.0
  O  O17  1  0.944  0.127  0.254  1.0
  O  O18  1  0.444  0.873  0.246  1.0
  O  O19  1  0.056  0.873  0.746  1.0
[/CIF]
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