The compound described by LiCrB2O5 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 4-coordinate geometry to one O(4), one O(5), and two equivalent O(2) atoms. Cr(1) is bonded to one O(2), one O(5), two equivalent O(1), and two equivalent O(4) atoms to form edge-sharing CrO6 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(3) 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 distorted trigonal planar geometry to two equivalent Cr(1) and one B(1) atom. In the second O site, O(2) is bonded to two equivalent Li(1), one Cr(1), and one B(1) atom to form distorted edge-sharing OLi2CrB trigonal pyramids. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one B(1) and one B(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Cr(1), and one B(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Cr(1), and one B(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCrB2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.583
_cell_length_b   5.642
_cell_length_c   6.946
_cell_angle_alpha   72.910
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   358.923
_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
  Li  Li0  1  0.437  0.677  0.786  1.0
  Li  Li1  1  0.063  0.177  0.786  1.0
  Li  Li2  1  0.937  0.823  0.214  1.0
  Li  Li3  1  0.563  0.323  0.214  1.0
  Cr  Cr4  1  0.827  0.785  0.754  1.0
  Cr  Cr5  1  0.673  0.285  0.754  1.0
  Cr  Cr6  1  0.327  0.715  0.246  1.0
  Cr  Cr7  1  0.173  0.215  0.246  1.0
  B  B8  1  0.115  0.671  0.913  1.0
  B  B9  1  0.385  0.171  0.913  1.0
  B  B10  1  0.088  0.739  0.548  1.0
  B  B11  1  0.588  0.761  0.452  1.0
  B  B12  1  0.412  0.239  0.548  1.0
  B  B13  1  0.912  0.261  0.452  1.0
  B  B14  1  0.615  0.829  0.087  1.0
  B  B15  1  0.885  0.329  0.087  1.0
  O  O16  1  0.701  0.928  0.925  1.0
  O  O17  1  0.995  0.794  0.929  1.0
  O  O18  1  0.799  0.428  0.925  1.0
  O  O19  1  0.505  0.294  0.929  1.0
  O  O20  1  0.163  0.647  0.729  1.0
  O  O21  1  0.661  0.665  0.628  1.0
  O  O22  1  0.337  0.147  0.729  1.0
  O  O23  1  0.947  0.737  0.537  1.0
  O  O24  1  0.839  0.165  0.628  1.0
  O  O25  1  0.447  0.763  0.463  1.0
  O  O26  1  0.553  0.237  0.537  1.0
  O  O27  1  0.161  0.835  0.372  1.0
  O  O28  1  0.053  0.263  0.463  1.0
  O  O29  1  0.663  0.853  0.271  1.0
  O  O30  1  0.339  0.335  0.372  1.0
  O  O31  1  0.837  0.353  0.271  1.0
  O  O32  1  0.495  0.706  0.071  1.0
  O  O33  1  0.201  0.572  0.075  1.0
  O  O34  1  0.005  0.206  0.071  1.0
  O  O35  1  0.299  0.072  0.075  1.0
[/CIF]
.
The compound described by LiCrB2O5 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 4-coordinate geometry to one O(4), one O(5), and two equivalent O(2) atoms. Cr(1) is bonded to one O(2), one O(5), two equivalent O(1), and two equivalent O(4) atoms to form edge-sharing CrO6 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(3) 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 distorted trigonal planar geometry to two equivalent Cr(1) and one B(1) atom. In the second O site, O(2) is bonded to two equivalent Li(1), one Cr(1), and one B(1) atom to form distorted edge-sharing OLi2CrB trigonal pyramids. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one B(1) and one B(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Cr(1), and one B(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Cr(1), and one B(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCrB2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.583
_cell_length_b   5.642
_cell_length_c   6.946
_cell_angle_alpha   72.910
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   358.923
_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
  Li  Li0  1  0.437  0.677  0.786  1.0
  Li  Li1  1  0.063  0.177  0.786  1.0
  Li  Li2  1  0.937  0.823  0.214  1.0
  Li  Li3  1  0.563  0.323  0.214  1.0
  Cr  Cr4  1  0.827  0.785  0.754  1.0
  Cr  Cr5  1  0.673  0.285  0.754  1.0
  Cr  Cr6  1  0.327  0.715  0.246  1.0
  Cr  Cr7  1  0.173  0.215  0.246  1.0
  B  B8  1  0.115  0.671  0.913  1.0
  B  B9  1  0.385  0.171  0.913  1.0
  B  B10  1  0.088  0.739  0.548  1.0
  B  B11  1  0.588  0.761  0.452  1.0
  B  B12  1  0.412  0.239  0.548  1.0
  B  B13  1  0.912  0.261  0.452  1.0
  B  B14  1  0.615  0.829  0.087  1.0
  B  B15  1  0.885  0.329  0.087  1.0
  O  O16  1  0.701  0.928  0.925  1.0
  O  O17  1  0.995  0.794  0.929  1.0
  O  O18  1  0.799  0.428  0.925  1.0
  O  O19  1  0.505  0.294  0.929  1.0
  O  O20  1  0.163  0.647  0.729  1.0
  O  O21  1  0.661  0.665  0.628  1.0
  O  O22  1  0.337  0.147  0.729  1.0
  O  O23  1  0.947  0.737  0.537  1.0
  O  O24  1  0.839  0.165  0.628  1.0
  O  O25  1  0.447  0.763  0.463  1.0
  O  O26  1  0.553  0.237  0.537  1.0
  O  O27  1  0.161  0.835  0.372  1.0
  O  O28  1  0.053  0.263  0.463  1.0
  O  O29  1  0.663  0.853  0.271  1.0
  O  O30  1  0.339  0.335  0.372  1.0
  O  O31  1  0.837  0.353  0.271  1.0
  O  O32  1  0.495  0.706  0.071  1.0
  O  O33  1  0.201  0.572  0.075  1.0
  O  O34  1  0.005  0.206  0.071  1.0
  O  O35  1  0.299  0.072  0.075  1.0
[/CIF]
.