The structure described by Fe2B2O5 crystallizes in the triclinic P-1 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), two equivalent O(3), and three equivalent O(2) atoms to form edge-sharing FeO6 octahedra. In the second Fe site, Fe(2) is bonded to one O(3), one O(5), two equivalent O(1), and two equivalent O(4) atoms to form distorted edge-sharing FeO6 octahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(5) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(3), one O(4), 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(1), two equivalent Fe(2), and one B(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to three equivalent Fe(1) and one B(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Fe(2), two equivalent Fe(1), and one B(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Fe(2) and one B(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Fe(2), one B(1), and one B(2) atom. is represented by the CIF card [CIF]
data_Fe2B2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.212
_cell_length_b   6.180
_cell_length_c   9.302
_cell_angle_alpha   104.307
_cell_angle_beta   90.263
_cell_angle_gamma   91.565
_symmetry_Int_Tables_number   1
_cell_volume   178.828
_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  0.759  0.637  0.899  1.0
  Fe  Fe1  1  0.241  0.363  0.101  1.0
  Fe  Fe2  1  0.249  0.795  0.641  1.0
  Fe  Fe3  1  0.751  0.205  0.359  1.0
  B  B4  1  0.657  0.127  0.832  1.0
  B  B5  1  0.343  0.873  0.168  1.0
  B  B6  1  0.302  0.323  0.645  1.0
  B  B7  1  0.698  0.677  0.355  1.0
  O  O8  1  0.234  0.087  0.178  1.0
  O  O9  1  0.744  0.311  0.943  1.0
  O  O10  1  0.256  0.689  0.057  1.0
  O  O11  1  0.766  0.913  0.822  1.0
  O  O12  1  0.746  0.473  0.260  1.0
  O  O13  1  0.238  0.277  0.497  1.0
  O  O14  1  0.567  0.856  0.297  1.0
  O  O15  1  0.433  0.144  0.703  1.0
  O  O16  1  0.762  0.723  0.503  1.0
  O  O17  1  0.254  0.527  0.740  1.0
[/CIF]
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The structure described by Fe2B2O5 crystallizes in the triclinic P-1 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), two equivalent O(3), and three equivalent O(2) atoms to form edge-sharing FeO6 octahedra. In the second Fe site, Fe(2) is bonded to one O(3), one O(5), two equivalent O(1), and two equivalent O(4) atoms to form distorted edge-sharing FeO6 octahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(5) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(3), one O(4), 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(1), two equivalent Fe(2), and one B(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to three equivalent Fe(1) and one B(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Fe(2), two equivalent Fe(1), and one B(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Fe(2) and one B(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Fe(2), one B(1), and one B(2) atom. is represented by the CIF card [CIF]
data_Fe2B2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.212
_cell_length_b   6.180
_cell_length_c   9.302
_cell_angle_alpha   104.307
_cell_angle_beta   90.263
_cell_angle_gamma   91.565
_symmetry_Int_Tables_number   1
_cell_volume   178.828
_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  0.759  0.637  0.899  1.0
  Fe  Fe1  1  0.241  0.363  0.101  1.0
  Fe  Fe2  1  0.249  0.795  0.641  1.0
  Fe  Fe3  1  0.751  0.205  0.359  1.0
  B  B4  1  0.657  0.127  0.832  1.0
  B  B5  1  0.343  0.873  0.168  1.0
  B  B6  1  0.302  0.323  0.645  1.0
  B  B7  1  0.698  0.677  0.355  1.0
  O  O8  1  0.234  0.087  0.178  1.0
  O  O9  1  0.744  0.311  0.943  1.0
  O  O10  1  0.256  0.689  0.057  1.0
  O  O11  1  0.766  0.913  0.822  1.0
  O  O12  1  0.746  0.473  0.260  1.0
  O  O13  1  0.238  0.277  0.497  1.0
  O  O14  1  0.567  0.856  0.297  1.0
  O  O15  1  0.433  0.144  0.703  1.0
  O  O16  1  0.762  0.723  0.503  1.0
  O  O17  1  0.254  0.527  0.740  1.0
[/CIF]
.