The material structure described by BeFe2O4 crystallizes in the orthorhombic Pnma space group. Be(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(4) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 54-62°. In the second Fe site, Fe(2) is bonded to one O(3), two equivalent O(4), and three equivalent O(1) atoms to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 54-62°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Fe(1) and three equivalent Fe(2) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Be(1) and two equivalent Fe(1) atoms. In the third O site, O(3) is bonded to one Be(1), one Fe(2), and two equivalent Fe(1) atoms to form a mixture of distorted edge and corner-sharing OBeFe3 tetrahedra. In the fourth O site, O(4) is bonded to one Be(1), one Fe(1), and two equivalent Fe(2) atoms to form a mixture of distorted edge and corner-sharing OBeFe3 tetrahedra. is represented by the CIF file [CIF]
data_Be(FeO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.059
_cell_length_b   9.477
_cell_length_c   9.885
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   286.563
_cell_formula_units_Z   4
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
  Be  Be0  1  0.250  0.662  0.620  1.0
  Be  Be1  1  0.750  0.838  0.120  1.0
  Be  Be2  1  0.250  0.162  0.880  1.0
  Be  Be3  1  0.750  0.338  0.380  1.0
  Fe  Fe4  1  0.250  0.612  0.307  1.0
  Fe  Fe5  1  0.250  0.621  0.929  1.0
  Fe  Fe6  1  0.750  0.879  0.429  1.0
  Fe  Fe7  1  0.750  0.888  0.807  1.0
  Fe  Fe8  1  0.250  0.112  0.193  1.0
  Fe  Fe9  1  0.250  0.121  0.571  1.0
  Fe  Fe10  1  0.750  0.379  0.071  1.0
  Fe  Fe11  1  0.750  0.388  0.693  1.0
  O  O12  1  0.250  0.516  0.116  1.0
  O  O13  1  0.250  0.502  0.633  1.0
  O  O14  1  0.750  0.755  0.256  1.0
  O  O15  1  0.250  0.743  0.483  1.0
  O  O16  1  0.750  0.757  0.983  1.0
  O  O17  1  0.250  0.745  0.756  1.0
  O  O18  1  0.750  0.998  0.133  1.0
  O  O19  1  0.750  0.984  0.616  1.0
  O  O20  1  0.250  0.016  0.384  1.0
  O  O21  1  0.250  0.002  0.867  1.0
  O  O22  1  0.750  0.255  0.244  1.0
  O  O23  1  0.250  0.243  0.017  1.0
  O  O24  1  0.750  0.257  0.517  1.0
  O  O25  1  0.250  0.245  0.744  1.0
  O  O26  1  0.750  0.498  0.367  1.0
  O  O27  1  0.750  0.484  0.884  1.0
[/CIF]
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The material structure described by BeFe2O4 crystallizes in the orthorhombic Pnma space group. Be(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(4) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 54-62°. In the second Fe site, Fe(2) is bonded to one O(3), two equivalent O(4), and three equivalent O(1) atoms to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 54-62°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Fe(1) and three equivalent Fe(2) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Be(1) and two equivalent Fe(1) atoms. In the third O site, O(3) is bonded to one Be(1), one Fe(2), and two equivalent Fe(1) atoms to form a mixture of distorted edge and corner-sharing OBeFe3 tetrahedra. In the fourth O site, O(4) is bonded to one Be(1), one Fe(1), and two equivalent Fe(2) atoms to form a mixture of distorted edge and corner-sharing OBeFe3 tetrahedra. is represented by the CIF file [CIF]
data_Be(FeO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.059
_cell_length_b   9.477
_cell_length_c   9.885
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   286.563
_cell_formula_units_Z   4
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
  Be  Be0  1  0.250  0.662  0.620  1.0
  Be  Be1  1  0.750  0.838  0.120  1.0
  Be  Be2  1  0.250  0.162  0.880  1.0
  Be  Be3  1  0.750  0.338  0.380  1.0
  Fe  Fe4  1  0.250  0.612  0.307  1.0
  Fe  Fe5  1  0.250  0.621  0.929  1.0
  Fe  Fe6  1  0.750  0.879  0.429  1.0
  Fe  Fe7  1  0.750  0.888  0.807  1.0
  Fe  Fe8  1  0.250  0.112  0.193  1.0
  Fe  Fe9  1  0.250  0.121  0.571  1.0
  Fe  Fe10  1  0.750  0.379  0.071  1.0
  Fe  Fe11  1  0.750  0.388  0.693  1.0
  O  O12  1  0.250  0.516  0.116  1.0
  O  O13  1  0.250  0.502  0.633  1.0
  O  O14  1  0.750  0.755  0.256  1.0
  O  O15  1  0.250  0.743  0.483  1.0
  O  O16  1  0.750  0.757  0.983  1.0
  O  O17  1  0.250  0.745  0.756  1.0
  O  O18  1  0.750  0.998  0.133  1.0
  O  O19  1  0.750  0.984  0.616  1.0
  O  O20  1  0.250  0.016  0.384  1.0
  O  O21  1  0.250  0.002  0.867  1.0
  O  O22  1  0.750  0.255  0.244  1.0
  O  O23  1  0.250  0.243  0.017  1.0
  O  O24  1  0.750  0.257  0.517  1.0
  O  O25  1  0.250  0.245  0.744  1.0
  O  O26  1  0.750  0.498  0.367  1.0
  O  O27  1  0.750  0.484  0.884  1.0
[/CIF]
.