The crystal structure described by BaHoFe4O7 crystallizes in the monoclinic P2_1 space group. Ba(1) is bonded in a 8-coordinate geometry to one O(3), one O(4), one O(5), one O(6), two equivalent O(1), and two equivalent O(2) atoms. Ho(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form HoO6 octahedra that share corners with three equivalent Fe(1)O4 tetrahedra, corners with three equivalent Fe(2)O4 tetrahedra, corners with three equivalent Fe(3)O4 tetrahedra, and corners with three equivalent Fe(4)O4 tetrahedra. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(4), one O(6), and one O(7) atom to form FeO4 tetrahedra that share corners with three equivalent Ho(1)O6 octahedra, corners with two equivalent Fe(2)O4 tetrahedra, corners with two equivalent Fe(3)O4 tetrahedra, and corners with two equivalent Fe(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-59°. In the second Fe site, Fe(2) is bonded to one O(1), one O(3), one O(6), and one O(7) atom to form FeO4 tetrahedra that share corners with three equivalent Ho(1)O6 octahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(3)O4 tetrahedra, and corners with two equivalent Fe(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-67°. In the third Fe site, Fe(3) is bonded to one O(1), one O(4), one O(5), and one O(7) atom to form FeO4 tetrahedra that share corners with three equivalent Ho(1)O6 octahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra, and corners with two equivalent Fe(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-67°. In the fourth Fe site, Fe(4) is bonded to one O(2), one O(3), one O(5), and one O(7) atom to form FeO4 tetrahedra that share corners with three equivalent Ho(1)O6 octahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra, and corners with two equivalent Fe(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-63°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one Ho(1), one Fe(2), and one Fe(3) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one Ho(1), one Fe(1), and one Fe(4) atom. In the third O site, O(3) is bonded to one Ba(1), one Ho(1), one Fe(2), and one Fe(4) atom to form distorted OBaHoFe2 tetrahedra that share corners with two equivalent O(7)Fe4 tetrahedra and corners with three equivalent O(5)BaHoFe2 tetrahedra. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ba(1), one Ho(1), one Fe(1), and one Fe(3) atom. In the fifth O site, O(5) is bonded to one Ba(1), one Ho(1), one Fe(3), and one Fe(4) atom to form distorted OBaHoFe2 tetrahedra that share corners with two equivalent O(7)Fe4 tetrahedra and corners with three equivalent O(3)BaHoFe2 tetrahedra. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ba(1), one Ho(1), one Fe(1), and one Fe(2) atom. In the seventh O site, O(7) is bonded to one Fe(1), one Fe(2), one Fe(3), and one Fe(4) atom to form corner-sharing OFe4 tetrahedra. is represented by the CIF file [CIF]
data_BaHoFe4O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.289
_cell_length_b   6.408
_cell_length_c   6.437
_cell_angle_alpha   118.930
_cell_angle_beta   118.307
_cell_angle_gamma   91.650
_symmetry_Int_Tables_number   1
_cell_volume   188.340
_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
  Ba  Ba0  1  0.247  0.747  0.995  1.0
  Fe  Fe1  1  0.624  0.362  0.274  1.0
  Fe  Fe2  1  0.150  0.412  0.274  1.0
  Fe  Fe3  1  0.606  0.380  0.752  1.0
  Fe  Fe4  1  0.647  0.873  0.752  1.0
  Ho  Ho5  1  0.997  0.997  0.495  1.0
  O  O6  1  0.759  0.759  0.018  1.0
  O  O7  1  0.248  0.248  0.997  1.0
  O  O8  1  0.223  0.318  0.541  1.0
  O  O9  1  0.818  0.723  0.541  1.0
  O  O10  1  0.269  0.774  0.449  1.0
  O  O11  1  0.680  0.175  0.449  1.0
  O  O12  1  0.760  0.260  0.021  1.0
[/CIF]
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The crystal structure described by BaHoFe4O7 crystallizes in the monoclinic P2_1 space group. Ba(1) is bonded in a 8-coordinate geometry to one O(3), one O(4), one O(5), one O(6), two equivalent O(1), and two equivalent O(2) atoms. Ho(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form HoO6 octahedra that share corners with three equivalent Fe(1)O4 tetrahedra, corners with three equivalent Fe(2)O4 tetrahedra, corners with three equivalent Fe(3)O4 tetrahedra, and corners with three equivalent Fe(4)O4 tetrahedra. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(4), one O(6), and one O(7) atom to form FeO4 tetrahedra that share corners with three equivalent Ho(1)O6 octahedra, corners with two equivalent Fe(2)O4 tetrahedra, corners with two equivalent Fe(3)O4 tetrahedra, and corners with two equivalent Fe(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-59°. In the second Fe site, Fe(2) is bonded to one O(1), one O(3), one O(6), and one O(7) atom to form FeO4 tetrahedra that share corners with three equivalent Ho(1)O6 octahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(3)O4 tetrahedra, and corners with two equivalent Fe(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-67°. In the third Fe site, Fe(3) is bonded to one O(1), one O(4), one O(5), and one O(7) atom to form FeO4 tetrahedra that share corners with three equivalent Ho(1)O6 octahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra, and corners with two equivalent Fe(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-67°. In the fourth Fe site, Fe(4) is bonded to one O(2), one O(3), one O(5), and one O(7) atom to form FeO4 tetrahedra that share corners with three equivalent Ho(1)O6 octahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra, and corners with two equivalent Fe(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-63°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one Ho(1), one Fe(2), and one Fe(3) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one Ho(1), one Fe(1), and one Fe(4) atom. In the third O site, O(3) is bonded to one Ba(1), one Ho(1), one Fe(2), and one Fe(4) atom to form distorted OBaHoFe2 tetrahedra that share corners with two equivalent O(7)Fe4 tetrahedra and corners with three equivalent O(5)BaHoFe2 tetrahedra. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ba(1), one Ho(1), one Fe(1), and one Fe(3) atom. In the fifth O site, O(5) is bonded to one Ba(1), one Ho(1), one Fe(3), and one Fe(4) atom to form distorted OBaHoFe2 tetrahedra that share corners with two equivalent O(7)Fe4 tetrahedra and corners with three equivalent O(3)BaHoFe2 tetrahedra. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ba(1), one Ho(1), one Fe(1), and one Fe(2) atom. In the seventh O site, O(7) is bonded to one Fe(1), one Fe(2), one Fe(3), and one Fe(4) atom to form corner-sharing OFe4 tetrahedra. is represented by the CIF file [CIF]
data_BaHoFe4O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.289
_cell_length_b   6.408
_cell_length_c   6.437
_cell_angle_alpha   118.930
_cell_angle_beta   118.307
_cell_angle_gamma   91.650
_symmetry_Int_Tables_number   1
_cell_volume   188.340
_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
  Ba  Ba0  1  0.247  0.747  0.995  1.0
  Fe  Fe1  1  0.624  0.362  0.274  1.0
  Fe  Fe2  1  0.150  0.412  0.274  1.0
  Fe  Fe3  1  0.606  0.380  0.752  1.0
  Fe  Fe4  1  0.647  0.873  0.752  1.0
  Ho  Ho5  1  0.997  0.997  0.495  1.0
  O  O6  1  0.759  0.759  0.018  1.0
  O  O7  1  0.248  0.248  0.997  1.0
  O  O8  1  0.223  0.318  0.541  1.0
  O  O9  1  0.818  0.723  0.541  1.0
  O  O10  1  0.269  0.774  0.449  1.0
  O  O11  1  0.680  0.175  0.449  1.0
  O  O12  1  0.760  0.260  0.021  1.0
[/CIF]
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