The material structure described by Fe3BO5 crystallizes in the monoclinic P2/m space group. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(4), two equivalent O(3), and two equivalent O(5) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 60-62°. In the second Fe site, Fe(2) is bonded to two equivalent O(3) and four equivalent O(4) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 21°. In the third Fe site, Fe(3) is bonded to two equivalent O(5) and four equivalent O(4) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 21°. In the fourth Fe site, Fe(4) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 60°. In the fifth Fe site, Fe(5) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 62°. B(1) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Fe(5), two equivalent Fe(4), and one B(1) atom. In the second O site, O(2) is bonded to one Fe(1), one Fe(4), and two equivalent Fe(5) atoms to form distorted OFe4 tetrahedra that share  a cornercorner with one O(4)Fe5 square pyramid, corners with five equivalent O(2)Fe4 tetrahedra, and  an edgeedge with one O(2)Fe4 tetrahedra. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Fe(2), two equivalent Fe(1), and one B(1) atom. In the fourth O site, O(4) is bonded to one Fe(1), two equivalent Fe(2), and two equivalent Fe(3) atoms to form OFe5 square pyramids that share corners with four equivalent O(4)Fe5 square pyramids,  a cornercorner with one O(2)Fe4 tetrahedra, and edges with four equivalent O(4)Fe5 square pyramids. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Fe(3), two equivalent Fe(1), and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe3BO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.050
_cell_length_b   5.444
_cell_length_c   10.739
_cell_angle_alpha   85.403
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   177.730
_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
  Fe  Fe0  1  0.500  0.714  0.229  1.0
  Fe  Fe1  1  0.500  0.286  0.771  1.0
  Fe  Fe2  1  0.000  0.000  0.000  1.0
  Fe  Fe3  1  0.000  0.500  0.000  1.0
  Fe  Fe4  1  0.500  0.000  0.500  1.0
  Fe  Fe5  1  0.000  0.500  0.500  1.0
  B  B6  1  0.000  0.791  0.740  1.0
  B  B7  1  0.000  0.209  0.260  1.0
  O  O8  1  0.000  0.188  0.389  1.0
  O  O9  1  0.500  0.308  0.592  1.0
  O  O10  1  0.000  0.812  0.611  1.0
  O  O11  1  0.500  0.692  0.408  1.0
  O  O12  1  0.000  0.000  0.804  1.0
  O  O13  1  0.000  1.000  0.196  1.0
  O  O14  1  0.500  0.256  0.964  1.0
  O  O15  1  0.000  0.560  0.804  1.0
  O  O16  1  0.000  0.440  0.196  1.0
  O  O17  1  0.500  0.744  0.036  1.0
[/CIF]
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The material structure described by Fe3BO5 crystallizes in the monoclinic P2/m space group. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(4), two equivalent O(3), and two equivalent O(5) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 60-62°. In the second Fe site, Fe(2) is bonded to two equivalent O(3) and four equivalent O(4) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 21°. In the third Fe site, Fe(3) is bonded to two equivalent O(5) and four equivalent O(4) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 21°. In the fourth Fe site, Fe(4) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 60°. In the fifth Fe site, Fe(5) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 62°. B(1) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Fe(5), two equivalent Fe(4), and one B(1) atom. In the second O site, O(2) is bonded to one Fe(1), one Fe(4), and two equivalent Fe(5) atoms to form distorted OFe4 tetrahedra that share  a cornercorner with one O(4)Fe5 square pyramid, corners with five equivalent O(2)Fe4 tetrahedra, and  an edgeedge with one O(2)Fe4 tetrahedra. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Fe(2), two equivalent Fe(1), and one B(1) atom. In the fourth O site, O(4) is bonded to one Fe(1), two equivalent Fe(2), and two equivalent Fe(3) atoms to form OFe5 square pyramids that share corners with four equivalent O(4)Fe5 square pyramids,  a cornercorner with one O(2)Fe4 tetrahedra, and edges with four equivalent O(4)Fe5 square pyramids. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Fe(3), two equivalent Fe(1), and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe3BO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.050
_cell_length_b   5.444
_cell_length_c   10.739
_cell_angle_alpha   85.403
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   177.730
_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
  Fe  Fe0  1  0.500  0.714  0.229  1.0
  Fe  Fe1  1  0.500  0.286  0.771  1.0
  Fe  Fe2  1  0.000  0.000  0.000  1.0
  Fe  Fe3  1  0.000  0.500  0.000  1.0
  Fe  Fe4  1  0.500  0.000  0.500  1.0
  Fe  Fe5  1  0.000  0.500  0.500  1.0
  B  B6  1  0.000  0.791  0.740  1.0
  B  B7  1  0.000  0.209  0.260  1.0
  O  O8  1  0.000  0.188  0.389  1.0
  O  O9  1  0.500  0.308  0.592  1.0
  O  O10  1  0.000  0.812  0.611  1.0
  O  O11  1  0.500  0.692  0.408  1.0
  O  O12  1  0.000  0.000  0.804  1.0
  O  O13  1  0.000  1.000  0.196  1.0
  O  O14  1  0.500  0.256  0.964  1.0
  O  O15  1  0.000  0.560  0.804  1.0
  O  O16  1  0.000  0.440  0.196  1.0
  O  O17  1  0.500  0.744  0.036  1.0
[/CIF]
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