The structure described by CsLiB6O10 crystallizes in the tetragonal I-42d space group. Cs(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Li(1) is bonded to four equivalent O(3) atoms to form distorted LiO4 trigonal pyramids that share corners with four equivalent B(1)O4 tetrahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form BO4 tetrahedra that share corners with two equivalent Li(1)O4 trigonal pyramids. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to two equivalent Cs(1) and two equivalent B(2) atoms. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Cs(1), one B(1), and one B(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one B(1), and one B(2) atom. is represented by the CIF file [CIF]
data_CsLi(B3O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.805
_cell_length_b   8.805
_cell_length_c   8.805
_cell_angle_alpha   106.564
_cell_angle_beta   106.564
_cell_angle_gamma   115.457
_symmetry_Int_Tables_number   1
_cell_volume   521.114
_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
  Cs  Cs0  1  0.250  0.750  0.500  1.0
  Cs  Cs1  1  0.000  0.000  0.000  1.0
  Li  Li2  1  0.750  0.250  0.500  1.0
  Li  Li3  1  0.500  0.500  0.000  1.0
  B  B4  1  0.645  0.875  0.270  1.0
  B  B5  1  0.605  0.375  0.730  1.0
  B  B6  1  0.625  0.355  0.230  1.0
  B  B7  1  0.125  0.395  0.770  1.0
  B  B8  1  0.919  0.039  0.579  1.0
  B  B9  1  0.789  0.711  0.380  1.0
  B  B10  1  0.461  0.341  0.421  1.0
  B  B11  1  0.331  0.409  0.620  1.0
  B  B12  1  0.659  0.081  0.120  1.0
  B  B13  1  0.289  0.669  0.079  1.0
  B  B14  1  0.961  0.539  0.880  1.0
  B  B15  1  0.591  0.211  0.921  1.0
  O  O16  1  0.922  0.875  0.547  1.0
  O  O17  1  0.328  0.375  0.453  1.0
  O  O18  1  0.625  0.078  0.953  1.0
  O  O19  1  0.125  0.672  0.047  1.0
  O  O20  1  0.059  0.198  0.738  1.0
  O  O21  1  0.791  0.552  0.361  1.0
  O  O22  1  0.459  0.321  0.262  1.0
  O  O23  1  0.191  0.429  0.639  1.0
  O  O24  1  0.679  0.941  0.139  1.0
  O  O25  1  0.448  0.809  0.238  1.0
  O  O26  1  0.802  0.541  0.861  1.0
  O  O27  1  0.571  0.209  0.762  1.0
  O  O28  1  0.776  0.033  0.456  1.0
  O  O29  1  0.673  0.717  0.244  1.0
  O  O30  1  0.577  0.320  0.544  1.0
  O  O31  1  0.474  0.430  0.756  1.0
  O  O32  1  0.680  0.224  0.256  1.0
  O  O33  1  0.283  0.526  0.956  1.0
  O  O34  1  0.967  0.423  0.744  1.0
  O  O35  1  0.570  0.327  0.044  1.0
[/CIF]
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The structure described by CsLiB6O10 crystallizes in the tetragonal I-42d space group. Cs(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Li(1) is bonded to four equivalent O(3) atoms to form distorted LiO4 trigonal pyramids that share corners with four equivalent B(1)O4 tetrahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form BO4 tetrahedra that share corners with two equivalent Li(1)O4 trigonal pyramids. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to two equivalent Cs(1) and two equivalent B(2) atoms. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Cs(1), one B(1), and one B(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one B(1), and one B(2) atom. is represented by the CIF file [CIF]
data_CsLi(B3O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.805
_cell_length_b   8.805
_cell_length_c   8.805
_cell_angle_alpha   106.564
_cell_angle_beta   106.564
_cell_angle_gamma   115.457
_symmetry_Int_Tables_number   1
_cell_volume   521.114
_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
  Cs  Cs0  1  0.250  0.750  0.500  1.0
  Cs  Cs1  1  0.000  0.000  0.000  1.0
  Li  Li2  1  0.750  0.250  0.500  1.0
  Li  Li3  1  0.500  0.500  0.000  1.0
  B  B4  1  0.645  0.875  0.270  1.0
  B  B5  1  0.605  0.375  0.730  1.0
  B  B6  1  0.625  0.355  0.230  1.0
  B  B7  1  0.125  0.395  0.770  1.0
  B  B8  1  0.919  0.039  0.579  1.0
  B  B9  1  0.789  0.711  0.380  1.0
  B  B10  1  0.461  0.341  0.421  1.0
  B  B11  1  0.331  0.409  0.620  1.0
  B  B12  1  0.659  0.081  0.120  1.0
  B  B13  1  0.289  0.669  0.079  1.0
  B  B14  1  0.961  0.539  0.880  1.0
  B  B15  1  0.591  0.211  0.921  1.0
  O  O16  1  0.922  0.875  0.547  1.0
  O  O17  1  0.328  0.375  0.453  1.0
  O  O18  1  0.625  0.078  0.953  1.0
  O  O19  1  0.125  0.672  0.047  1.0
  O  O20  1  0.059  0.198  0.738  1.0
  O  O21  1  0.791  0.552  0.361  1.0
  O  O22  1  0.459  0.321  0.262  1.0
  O  O23  1  0.191  0.429  0.639  1.0
  O  O24  1  0.679  0.941  0.139  1.0
  O  O25  1  0.448  0.809  0.238  1.0
  O  O26  1  0.802  0.541  0.861  1.0
  O  O27  1  0.571  0.209  0.762  1.0
  O  O28  1  0.776  0.033  0.456  1.0
  O  O29  1  0.673  0.717  0.244  1.0
  O  O30  1  0.577  0.320  0.544  1.0
  O  O31  1  0.474  0.430  0.756  1.0
  O  O32  1  0.680  0.224  0.256  1.0
  O  O33  1  0.283  0.526  0.956  1.0
  O  O34  1  0.967  0.423  0.744  1.0
  O  O35  1  0.570  0.327  0.044  1.0
[/CIF]
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