The crystal structure described by CsNa2Be6(BO3)5 crystallizes in the monoclinic C2 space group. Cs(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(7) atoms. Na(1) is bonded in a 7-coordinate geometry to one O(4), one O(5), one O(6), one O(8), and three equivalent O(3) atoms. There are three inequivalent Be sites. In the first Be site, Be(1) is bonded to one O(1), one O(7), and two equivalent O(2) atoms to form corner-sharing BeO4 tetrahedra. In the second Be site, Be(2) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form corner-sharing BeO4 tetrahedra. In the third Be site, Be(3) is bonded to one O(4), one O(5), one O(6), and one O(8) atom to form corner-sharing BeO4 tetrahedra. There are three inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(3), one O(7), and one O(8) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(6) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(4) and two equivalent O(5) atoms. There are eight inequivalent O sites. In the first O site, O(3) is bonded in a distorted bent 120 degrees geometry to three equivalent Na(1), one Be(2), and one B(1) atom. In the second O site, O(4) is bonded in a trigonal planar geometry to two equivalent Na(1), two equivalent Be(3), and one B(3) atom. In the third O site, O(5) is bonded in a distorted trigonal planar geometry to one Na(1), one Be(2), one Be(3), and one B(3) atom. In the fourth O site, O(6) is bonded in a trigonal planar geometry to one Na(1), one Be(2), one Be(3), and one B(2) atom. In the fifth O site, O(7) is bonded in a bent 120 degrees geometry to two equivalent Cs(1), one Be(1), and one B(1) atom. In the sixth O site, O(8) is bonded in a distorted T-shaped geometry to one Na(1), one Be(3), and one B(1) atom. In the seventh O site, O(1) is bonded in a distorted trigonal planar geometry to one Cs(1), one Be(1), one Be(2), and one B(2) atom. In the eighth O site, O(2) is bonded in a trigonal planar geometry to two equivalent Be(1) and one B(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsNa2Be6(BO3)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.344
_cell_length_b   7.344
_cell_length_c   10.872
_cell_angle_alpha   77.628
_cell_angle_beta   77.628
_cell_angle_gamma   35.274
_symmetry_Int_Tables_number   1
_cell_volume   329.950
_cell_formula_units_Z   1
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  0.540  0.460  0.000  1.0
  Na  Na1  1  0.203  0.172  0.456  1.0
  Na  Na2  1  0.828  0.797  0.544  1.0
  Be  Be3  1  0.811  0.705  0.077  1.0
  Be  Be4  1  0.295  0.189  0.923  1.0
  Be  Be5  1  0.678  0.601  0.297  1.0
  Be  Be6  1  0.399  0.322  0.703  1.0
  Be  Be7  1  0.050  0.970  0.365  1.0
  Be  Be8  1  0.030  0.950  0.635  1.0
  B  B9  1  0.853  0.812  0.275  1.0
  B  B10  1  0.188  0.147  0.725  1.0
  B  B11  1  0.209  0.111  0.164  1.0
  B  B12  1  0.889  0.791  0.836  1.0
  B  B13  1  0.546  0.454  0.500  1.0
  O  O14  1  0.904  0.424  0.166  1.0
  O  O15  1  0.576  0.096  0.834  1.0
  O  O16  1  0.421  0.005  0.062  1.0
  O  O17  1  0.995  0.579  0.938  1.0
  O  O18  1  0.747  0.726  0.355  1.0
  O  O19  1  0.274  0.253  0.645  1.0
  O  O20  1  0.237  0.763  0.500  1.0
  O  O21  1  0.757  0.348  0.398  1.0
  O  O22  1  0.652  0.243  0.602  1.0
  O  O23  1  0.303  0.901  0.265  1.0
  O  O24  1  0.099  0.697  0.735  1.0
  O  O25  1  0.887  0.804  0.147  1.0
  O  O26  1  0.196  0.113  0.853  1.0
  O  O27  1  0.918  0.898  0.336  1.0
  O  O28  1  0.102  0.082  0.664  1.0
[/CIF]
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The crystal structure described by CsNa2Be6(BO3)5 crystallizes in the monoclinic C2 space group. Cs(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(7) atoms. Na(1) is bonded in a 7-coordinate geometry to one O(4), one O(5), one O(6), one O(8), and three equivalent O(3) atoms. There are three inequivalent Be sites. In the first Be site, Be(1) is bonded to one O(1), one O(7), and two equivalent O(2) atoms to form corner-sharing BeO4 tetrahedra. In the second Be site, Be(2) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form corner-sharing BeO4 tetrahedra. In the third Be site, Be(3) is bonded to one O(4), one O(5), one O(6), and one O(8) atom to form corner-sharing BeO4 tetrahedra. There are three inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(3), one O(7), and one O(8) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(6) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(4) and two equivalent O(5) atoms. There are eight inequivalent O sites. In the first O site, O(3) is bonded in a distorted bent 120 degrees geometry to three equivalent Na(1), one Be(2), and one B(1) atom. In the second O site, O(4) is bonded in a trigonal planar geometry to two equivalent Na(1), two equivalent Be(3), and one B(3) atom. In the third O site, O(5) is bonded in a distorted trigonal planar geometry to one Na(1), one Be(2), one Be(3), and one B(3) atom. In the fourth O site, O(6) is bonded in a trigonal planar geometry to one Na(1), one Be(2), one Be(3), and one B(2) atom. In the fifth O site, O(7) is bonded in a bent 120 degrees geometry to two equivalent Cs(1), one Be(1), and one B(1) atom. In the sixth O site, O(8) is bonded in a distorted T-shaped geometry to one Na(1), one Be(3), and one B(1) atom. In the seventh O site, O(1) is bonded in a distorted trigonal planar geometry to one Cs(1), one Be(1), one Be(2), and one B(2) atom. In the eighth O site, O(2) is bonded in a trigonal planar geometry to two equivalent Be(1) and one B(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsNa2Be6(BO3)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.344
_cell_length_b   7.344
_cell_length_c   10.872
_cell_angle_alpha   77.628
_cell_angle_beta   77.628
_cell_angle_gamma   35.274
_symmetry_Int_Tables_number   1
_cell_volume   329.950
_cell_formula_units_Z   1
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  0.540  0.460  0.000  1.0
  Na  Na1  1  0.203  0.172  0.456  1.0
  Na  Na2  1  0.828  0.797  0.544  1.0
  Be  Be3  1  0.811  0.705  0.077  1.0
  Be  Be4  1  0.295  0.189  0.923  1.0
  Be  Be5  1  0.678  0.601  0.297  1.0
  Be  Be6  1  0.399  0.322  0.703  1.0
  Be  Be7  1  0.050  0.970  0.365  1.0
  Be  Be8  1  0.030  0.950  0.635  1.0
  B  B9  1  0.853  0.812  0.275  1.0
  B  B10  1  0.188  0.147  0.725  1.0
  B  B11  1  0.209  0.111  0.164  1.0
  B  B12  1  0.889  0.791  0.836  1.0
  B  B13  1  0.546  0.454  0.500  1.0
  O  O14  1  0.904  0.424  0.166  1.0
  O  O15  1  0.576  0.096  0.834  1.0
  O  O16  1  0.421  0.005  0.062  1.0
  O  O17  1  0.995  0.579  0.938  1.0
  O  O18  1  0.747  0.726  0.355  1.0
  O  O19  1  0.274  0.253  0.645  1.0
  O  O20  1  0.237  0.763  0.500  1.0
  O  O21  1  0.757  0.348  0.398  1.0
  O  O22  1  0.652  0.243  0.602  1.0
  O  O23  1  0.303  0.901  0.265  1.0
  O  O24  1  0.099  0.697  0.735  1.0
  O  O25  1  0.887  0.804  0.147  1.0
  O  O26  1  0.196  0.113  0.853  1.0
  O  O27  1  0.918  0.898  0.336  1.0
  O  O28  1  0.102  0.082  0.664  1.0
[/CIF]
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