The compound described by Li2Fe(BO3)2 crystallizes in the trigonal R-3 space group. Li(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. Fe(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. B(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. O(1) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Fe(1), and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Fe(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.745
_cell_length_b   4.745
_cell_length_c   5.887
_cell_angle_alpha   66.234
_cell_angle_beta   66.234
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   101.606
_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
  B  B0  1  0.410  0.410  0.770  1.0
  B  B1  1  0.590  0.590  0.230  1.0
  Fe  Fe2  1  0.000  0.000  0.000  1.0
  Li  Li3  1  0.807  0.807  0.578  1.0
  Li  Li4  1  0.193  0.193  0.422  1.0
  O  O5  1  0.137  0.383  0.763  1.0
  O  O6  1  0.283  0.863  0.237  1.0
  O  O7  1  0.617  0.283  0.237  1.0
  O  O8  1  0.383  0.717  0.763  1.0
  O  O9  1  0.717  0.137  0.763  1.0
  O  O10  1  0.863  0.617  0.237  1.0
[/CIF]
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The compound described by Li2Fe(BO3)2 crystallizes in the trigonal R-3 space group. Li(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. Fe(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. B(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. O(1) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Fe(1), and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Fe(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.745
_cell_length_b   4.745
_cell_length_c   5.887
_cell_angle_alpha   66.234
_cell_angle_beta   66.234
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   101.606
_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
  B  B0  1  0.410  0.410  0.770  1.0
  B  B1  1  0.590  0.590  0.230  1.0
  Fe  Fe2  1  0.000  0.000  0.000  1.0
  Li  Li3  1  0.807  0.807  0.578  1.0
  Li  Li4  1  0.193  0.193  0.422  1.0
  O  O5  1  0.137  0.383  0.763  1.0
  O  O6  1  0.283  0.863  0.237  1.0
  O  O7  1  0.617  0.283  0.237  1.0
  O  O8  1  0.383  0.717  0.763  1.0
  O  O9  1  0.717  0.137  0.763  1.0
  O  O10  1  0.863  0.617  0.237  1.0
[/CIF]
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