The material structure described by Cs2Al2B2O7 crystallizes in the monoclinic P2_1/c space group. Cs(1) is bonded in a 11-coordinate geometry to two equivalent O(3), three equivalent O(1), three equivalent O(2), and three equivalent O(4) atoms. Al(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing AlO4 tetrahedra. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to three equivalent Cs(1), one Al(1), and one B(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to three equivalent Cs(1), one Al(1), and one B(1) atom. In the third O site, O(3) is bonded in a linear geometry to four equivalent Cs(1) and two equivalent Al(1) atoms. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to three equivalent Cs(1), one Al(1), and one B(1) atom. is represented by the CIF file [CIF]
data_Cs2Al2B2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.230
_cell_length_b   6.805
_cell_length_c   9.747
_cell_angle_alpha   64.775
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   433.810
_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  0.863  0.223  0.617  1.0
  Cs  Cs1  1  0.363  0.777  0.883  1.0
  Cs  Cs2  1  0.137  0.777  0.383  1.0
  Cs  Cs3  1  0.637  0.223  0.117  1.0
  Al  Al4  1  0.619  0.761  0.540  1.0
  Al  Al5  1  0.119  0.239  0.960  1.0
  Al  Al6  1  0.381  0.239  0.460  1.0
  Al  Al7  1  0.881  0.761  0.040  1.0
  B  B8  1  0.889  0.646  0.775  1.0
  B  B9  1  0.389  0.354  0.725  1.0
  B  B10  1  0.111  0.354  0.225  1.0
  B  B11  1  0.611  0.646  0.275  1.0
  O  O12  1  0.840  0.745  0.623  1.0
  O  O13  1  0.340  0.255  0.877  1.0
  O  O14  1  0.160  0.255  0.377  1.0
  O  O15  1  0.660  0.745  0.123  1.0
  O  O16  1  0.832  0.741  0.869  1.0
  O  O17  1  0.332  0.259  0.631  1.0
  O  O18  1  0.168  0.259  0.131  1.0
  O  O19  1  0.668  0.741  0.369  1.0
  O  O20  1  0.500  0.000  0.500  1.0
  O  O21  1  0.000  0.000  0.000  1.0
  O  O22  1  0.994  0.461  0.828  1.0
  O  O23  1  0.494  0.539  0.672  1.0
  O  O24  1  0.006  0.539  0.172  1.0
  O  O25  1  0.506  0.461  0.328  1.0
[/CIF]
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The material structure described by Cs2Al2B2O7 crystallizes in the monoclinic P2_1/c space group. Cs(1) is bonded in a 11-coordinate geometry to two equivalent O(3), three equivalent O(1), three equivalent O(2), and three equivalent O(4) atoms. Al(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing AlO4 tetrahedra. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to three equivalent Cs(1), one Al(1), and one B(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to three equivalent Cs(1), one Al(1), and one B(1) atom. In the third O site, O(3) is bonded in a linear geometry to four equivalent Cs(1) and two equivalent Al(1) atoms. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to three equivalent Cs(1), one Al(1), and one B(1) atom. is represented by the CIF file [CIF]
data_Cs2Al2B2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.230
_cell_length_b   6.805
_cell_length_c   9.747
_cell_angle_alpha   64.775
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   433.810
_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  0.863  0.223  0.617  1.0
  Cs  Cs1  1  0.363  0.777  0.883  1.0
  Cs  Cs2  1  0.137  0.777  0.383  1.0
  Cs  Cs3  1  0.637  0.223  0.117  1.0
  Al  Al4  1  0.619  0.761  0.540  1.0
  Al  Al5  1  0.119  0.239  0.960  1.0
  Al  Al6  1  0.381  0.239  0.460  1.0
  Al  Al7  1  0.881  0.761  0.040  1.0
  B  B8  1  0.889  0.646  0.775  1.0
  B  B9  1  0.389  0.354  0.725  1.0
  B  B10  1  0.111  0.354  0.225  1.0
  B  B11  1  0.611  0.646  0.275  1.0
  O  O12  1  0.840  0.745  0.623  1.0
  O  O13  1  0.340  0.255  0.877  1.0
  O  O14  1  0.160  0.255  0.377  1.0
  O  O15  1  0.660  0.745  0.123  1.0
  O  O16  1  0.832  0.741  0.869  1.0
  O  O17  1  0.332  0.259  0.631  1.0
  O  O18  1  0.168  0.259  0.131  1.0
  O  O19  1  0.668  0.741  0.369  1.0
  O  O20  1  0.500  0.000  0.500  1.0
  O  O21  1  0.000  0.000  0.000  1.0
  O  O22  1  0.994  0.461  0.828  1.0
  O  O23  1  0.494  0.539  0.672  1.0
  O  O24  1  0.006  0.539  0.172  1.0
  O  O25  1  0.506  0.461  0.328  1.0
[/CIF]
.