The material described by CsLiB6O10 crystallizes in the orthorhombic I2_12_12_1 space group. Cs(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms. Li(1) is bonded to two equivalent O(2) and two equivalent O(4) atoms to form distorted LiO4 trigonal pyramids that share corners with two equivalent B(2)O4 tetrahedra and corners with two equivalent B(3)O4 tetrahedra. There are four inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(6) atom. In the second B site, B(2) is bonded to two equivalent O(3) and two equivalent O(4) atoms to form BO4 tetrahedra that share corners with two equivalent Li(1)O4 trigonal pyramids. In the third B site, B(3) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form BO4 tetrahedra that share corners with two equivalent Li(1)O4 trigonal pyramids. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Cs(1), one B(3), and one B(4) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one B(1), and one B(3) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cs(1), one B(1), and one B(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one B(2), and one B(4) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to two equivalent Cs(1) and two equivalent B(4) atoms. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to two equivalent Cs(1) and two equivalent B(1) atoms. is represented by the CIF file [CIF]
data_CsLi(B3O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.756
_cell_length_b   8.756
_cell_length_c   8.756
_cell_angle_alpha   117.337
_cell_angle_beta   105.782
_cell_angle_gamma   105.593
_symmetry_Int_Tables_number   1
_cell_volume   509.452
_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  0.750  0.623  0.873  1.0
  Cs  Cs1  1  0.250  0.877  0.627  1.0
  Li  Li2  1  0.750  0.121  0.371  1.0
  Li  Li3  1  0.250  0.379  0.129  1.0
  B  B4  1  0.833  0.915  0.547  1.0
  B  B5  1  0.633  0.585  0.419  1.0
  B  B6  1  0.667  0.214  0.081  1.0
  B  B7  1  0.867  0.286  0.953  1.0
  B  B8  1  0.476  0.226  0.250  1.0
  B  B9  1  0.024  0.274  0.750  1.0
  B  B10  1  0.976  0.250  0.226  1.0
  B  B11  1  0.524  0.750  0.274  1.0
  B  B12  1  0.167  0.083  0.214  1.0
  B  B13  1  0.131  0.417  0.585  1.0
  B  B14  1  0.333  0.547  0.915  1.0
  B  B15  1  0.369  0.953  0.286  1.0
  O  O16  1  0.006  0.080  0.188  1.0
  O  O17  1  0.108  0.420  0.426  1.0
  O  O18  1  0.494  0.682  0.074  1.0
  O  O19  1  0.392  0.818  0.312  1.0
  O  O20  1  0.791  0.199  0.200  1.0
  O  O21  1  0.002  0.301  0.093  1.0
  O  O22  1  0.709  0.909  0.407  1.0
  O  O23  1  0.498  0.591  0.300  1.0
  O  O24  1  0.610  0.426  0.420  1.0
  O  O25  1  0.994  0.074  0.684  1.0
  O  O26  1  0.890  0.311  0.816  1.0
  O  O27  1  0.506  0.189  0.080  1.0
  O  O28  1  0.997  0.297  0.590  1.0
  O  O29  1  0.292  0.203  0.200  1.0
  O  O30  1  0.503  0.092  0.300  1.0
  O  O31  1  0.208  0.408  0.910  1.0
  O  O32  1  0.202  0.952  0.250  1.0
  O  O33  1  0.298  0.548  0.750  1.0
  O  O34  1  0.800  0.750  0.550  1.0
  O  O35  1  0.700  0.250  0.950  1.0
[/CIF]
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The material described by CsLiB6O10 crystallizes in the orthorhombic I2_12_12_1 space group. Cs(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms. Li(1) is bonded to two equivalent O(2) and two equivalent O(4) atoms to form distorted LiO4 trigonal pyramids that share corners with two equivalent B(2)O4 tetrahedra and corners with two equivalent B(3)O4 tetrahedra. There are four inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(6) atom. In the second B site, B(2) is bonded to two equivalent O(3) and two equivalent O(4) atoms to form BO4 tetrahedra that share corners with two equivalent Li(1)O4 trigonal pyramids. In the third B site, B(3) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form BO4 tetrahedra that share corners with two equivalent Li(1)O4 trigonal pyramids. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Cs(1), one B(3), and one B(4) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one B(1), and one B(3) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cs(1), one B(1), and one B(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one B(2), and one B(4) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to two equivalent Cs(1) and two equivalent B(4) atoms. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to two equivalent Cs(1) and two equivalent B(1) atoms. is represented by the CIF file [CIF]
data_CsLi(B3O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.756
_cell_length_b   8.756
_cell_length_c   8.756
_cell_angle_alpha   117.337
_cell_angle_beta   105.782
_cell_angle_gamma   105.593
_symmetry_Int_Tables_number   1
_cell_volume   509.452
_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  0.750  0.623  0.873  1.0
  Cs  Cs1  1  0.250  0.877  0.627  1.0
  Li  Li2  1  0.750  0.121  0.371  1.0
  Li  Li3  1  0.250  0.379  0.129  1.0
  B  B4  1  0.833  0.915  0.547  1.0
  B  B5  1  0.633  0.585  0.419  1.0
  B  B6  1  0.667  0.214  0.081  1.0
  B  B7  1  0.867  0.286  0.953  1.0
  B  B8  1  0.476  0.226  0.250  1.0
  B  B9  1  0.024  0.274  0.750  1.0
  B  B10  1  0.976  0.250  0.226  1.0
  B  B11  1  0.524  0.750  0.274  1.0
  B  B12  1  0.167  0.083  0.214  1.0
  B  B13  1  0.131  0.417  0.585  1.0
  B  B14  1  0.333  0.547  0.915  1.0
  B  B15  1  0.369  0.953  0.286  1.0
  O  O16  1  0.006  0.080  0.188  1.0
  O  O17  1  0.108  0.420  0.426  1.0
  O  O18  1  0.494  0.682  0.074  1.0
  O  O19  1  0.392  0.818  0.312  1.0
  O  O20  1  0.791  0.199  0.200  1.0
  O  O21  1  0.002  0.301  0.093  1.0
  O  O22  1  0.709  0.909  0.407  1.0
  O  O23  1  0.498  0.591  0.300  1.0
  O  O24  1  0.610  0.426  0.420  1.0
  O  O25  1  0.994  0.074  0.684  1.0
  O  O26  1  0.890  0.311  0.816  1.0
  O  O27  1  0.506  0.189  0.080  1.0
  O  O28  1  0.997  0.297  0.590  1.0
  O  O29  1  0.292  0.203  0.200  1.0
  O  O30  1  0.503  0.092  0.300  1.0
  O  O31  1  0.208  0.408  0.910  1.0
  O  O32  1  0.202  0.952  0.250  1.0
  O  O33  1  0.298  0.548  0.750  1.0
  O  O34  1  0.800  0.750  0.550  1.0
  O  O35  1  0.700  0.250  0.950  1.0
[/CIF]
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