The material described by Na2BeB2O5 crystallizes in the monoclinic C2/c space group. Na(1) is bonded in a 6-coordinate geometry to one O(3), two equivalent O(1), and three equivalent O(2) atoms. Be(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. B(1) 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 4-coordinate geometry to two equivalent Na(1), one Be(1), and one B(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Na(1), one Be(1), and one B(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to two equivalent Na(1) and two equivalent B(1) atoms. is represented by the CIF card [CIF]
data_Na2BeB2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.040
_cell_length_b   5.040
_cell_length_c   9.124
_cell_angle_alpha   85.233
_cell_angle_beta   85.233
_cell_angle_gamma   108.215
_symmetry_Int_Tables_number   1
_cell_volume   217.950
_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
  Na  Na0  1  0.295  0.684  0.572  1.0
  Na  Na1  1  0.316  0.705  0.928  1.0
  Na  Na2  1  0.705  0.316  0.428  1.0
  Na  Na3  1  0.684  0.295  0.072  1.0
  Be  Be4  1  0.711  0.289  0.750  1.0
  Be  Be5  1  0.289  0.711  0.250  1.0
  B  B6  1  0.828  0.840  0.678  1.0
  B  B7  1  0.160  0.172  0.822  1.0
  B  B8  1  0.840  0.828  0.178  1.0
  B  B9  1  0.172  0.160  0.322  1.0
  O  O10  1  0.019  0.677  0.156  1.0
  O  O11  1  0.677  0.019  0.656  1.0
  O  O12  1  0.576  0.755  0.133  1.0
  O  O13  1  0.245  0.424  0.367  1.0
  O  O14  1  0.424  0.245  0.867  1.0
  O  O15  1  0.755  0.576  0.633  1.0
  O  O16  1  0.924  0.076  0.250  1.0
  O  O17  1  0.076  0.924  0.750  1.0
  O  O18  1  0.981  0.323  0.844  1.0
  O  O19  1  0.323  0.981  0.344  1.0
[/CIF]
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The material described by Na2BeB2O5 crystallizes in the monoclinic C2/c space group. Na(1) is bonded in a 6-coordinate geometry to one O(3), two equivalent O(1), and three equivalent O(2) atoms. Be(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. B(1) 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 4-coordinate geometry to two equivalent Na(1), one Be(1), and one B(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Na(1), one Be(1), and one B(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to two equivalent Na(1) and two equivalent B(1) atoms. is represented by the CIF card [CIF]
data_Na2BeB2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.040
_cell_length_b   5.040
_cell_length_c   9.124
_cell_angle_alpha   85.233
_cell_angle_beta   85.233
_cell_angle_gamma   108.215
_symmetry_Int_Tables_number   1
_cell_volume   217.950
_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
  Na  Na0  1  0.295  0.684  0.572  1.0
  Na  Na1  1  0.316  0.705  0.928  1.0
  Na  Na2  1  0.705  0.316  0.428  1.0
  Na  Na3  1  0.684  0.295  0.072  1.0
  Be  Be4  1  0.711  0.289  0.750  1.0
  Be  Be5  1  0.289  0.711  0.250  1.0
  B  B6  1  0.828  0.840  0.678  1.0
  B  B7  1  0.160  0.172  0.822  1.0
  B  B8  1  0.840  0.828  0.178  1.0
  B  B9  1  0.172  0.160  0.322  1.0
  O  O10  1  0.019  0.677  0.156  1.0
  O  O11  1  0.677  0.019  0.656  1.0
  O  O12  1  0.576  0.755  0.133  1.0
  O  O13  1  0.245  0.424  0.367  1.0
  O  O14  1  0.424  0.245  0.867  1.0
  O  O15  1  0.755  0.576  0.633  1.0
  O  O16  1  0.924  0.076  0.250  1.0
  O  O17  1  0.076  0.924  0.750  1.0
  O  O18  1  0.981  0.323  0.844  1.0
  O  O19  1  0.323  0.981  0.344  1.0
[/CIF]
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