The crystal structure described by LiCoB2O5 crystallizes in the monoclinic C2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to two equivalent O(4) and two equivalent O(5) atoms. Co(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. 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 3-coordinate geometry to one Li(1), one Co(1), and one B(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Co(1), and one B(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Co(1), and one B(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(2), one Co(1), and one B(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(2), one B(1), and one B(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCoB2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.298
_cell_length_b   7.298
_cell_length_c   9.667
_cell_angle_alpha   68.821
_cell_angle_beta   68.821
_cell_angle_gamma   90.463
_symmetry_Int_Tables_number   1
_cell_volume   441.981
_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  0.837  0.163  0.750  1.0
  Li  Li1  1  0.380  0.620  0.750  1.0
  Li  Li2  1  0.620  0.380  0.250  1.0
  Li  Li3  1  0.163  0.837  0.250  1.0
  Co  Co4  1  0.962  0.651  0.648  1.0
  Co  Co5  1  0.651  0.962  0.148  1.0
  Co  Co6  1  0.349  0.038  0.852  1.0
  Co  Co7  1  0.038  0.349  0.352  1.0
  B  B8  1  0.763  0.770  0.906  1.0
  B  B9  1  0.738  0.399  0.973  1.0
  B  B10  1  0.770  0.763  0.406  1.0
  B  B11  1  0.399  0.738  0.473  1.0
  B  B12  1  0.601  0.262  0.527  1.0
  B  B13  1  0.230  0.237  0.594  1.0
  B  B14  1  0.262  0.601  0.027  1.0
  B  B15  1  0.237  0.230  0.094  1.0
  O  O16  1  0.705  0.913  0.966  1.0
  O  O17  1  0.859  0.829  0.744  1.0
  O  O18  1  0.913  0.705  0.466  1.0
  O  O19  1  0.819  0.405  0.821  1.0
  O  O20  1  0.334  0.772  0.888  1.0
  O  O21  1  0.829  0.859  0.244  1.0
  O  O22  1  0.569  0.716  0.514  1.0
  O  O23  1  0.284  0.431  0.986  1.0
  O  O24  1  0.405  0.819  0.321  1.0
  O  O25  1  0.772  0.334  0.388  1.0
  O  O26  1  0.228  0.666  0.612  1.0
  O  O27  1  0.595  0.181  0.679  1.0
  O  O28  1  0.716  0.569  0.014  1.0
  O  O29  1  0.431  0.284  0.486  1.0
  O  O30  1  0.171  0.141  0.756  1.0
  O  O31  1  0.666  0.228  0.112  1.0
  O  O32  1  0.181  0.595  0.179  1.0
  O  O33  1  0.087  0.295  0.534  1.0
  O  O34  1  0.141  0.171  0.256  1.0
  O  O35  1  0.295  0.087  0.034  1.0
[/CIF]
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The crystal structure described by LiCoB2O5 crystallizes in the monoclinic C2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to two equivalent O(4) and two equivalent O(5) atoms. Co(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. 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 3-coordinate geometry to one Li(1), one Co(1), and one B(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Co(1), and one B(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Co(1), and one B(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(2), one Co(1), and one B(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(2), one B(1), and one B(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCoB2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.298
_cell_length_b   7.298
_cell_length_c   9.667
_cell_angle_alpha   68.821
_cell_angle_beta   68.821
_cell_angle_gamma   90.463
_symmetry_Int_Tables_number   1
_cell_volume   441.981
_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  0.837  0.163  0.750  1.0
  Li  Li1  1  0.380  0.620  0.750  1.0
  Li  Li2  1  0.620  0.380  0.250  1.0
  Li  Li3  1  0.163  0.837  0.250  1.0
  Co  Co4  1  0.962  0.651  0.648  1.0
  Co  Co5  1  0.651  0.962  0.148  1.0
  Co  Co6  1  0.349  0.038  0.852  1.0
  Co  Co7  1  0.038  0.349  0.352  1.0
  B  B8  1  0.763  0.770  0.906  1.0
  B  B9  1  0.738  0.399  0.973  1.0
  B  B10  1  0.770  0.763  0.406  1.0
  B  B11  1  0.399  0.738  0.473  1.0
  B  B12  1  0.601  0.262  0.527  1.0
  B  B13  1  0.230  0.237  0.594  1.0
  B  B14  1  0.262  0.601  0.027  1.0
  B  B15  1  0.237  0.230  0.094  1.0
  O  O16  1  0.705  0.913  0.966  1.0
  O  O17  1  0.859  0.829  0.744  1.0
  O  O18  1  0.913  0.705  0.466  1.0
  O  O19  1  0.819  0.405  0.821  1.0
  O  O20  1  0.334  0.772  0.888  1.0
  O  O21  1  0.829  0.859  0.244  1.0
  O  O22  1  0.569  0.716  0.514  1.0
  O  O23  1  0.284  0.431  0.986  1.0
  O  O24  1  0.405  0.819  0.321  1.0
  O  O25  1  0.772  0.334  0.388  1.0
  O  O26  1  0.228  0.666  0.612  1.0
  O  O27  1  0.595  0.181  0.679  1.0
  O  O28  1  0.716  0.569  0.014  1.0
  O  O29  1  0.431  0.284  0.486  1.0
  O  O30  1  0.171  0.141  0.756  1.0
  O  O31  1  0.666  0.228  0.112  1.0
  O  O32  1  0.181  0.595  0.179  1.0
  O  O33  1  0.087  0.295  0.534  1.0
  O  O34  1  0.141  0.171  0.256  1.0
  O  O35  1  0.295  0.087  0.034  1.0
[/CIF]
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