The crystal structure described by NaBeO2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(2) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded to four equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing BeO4 trigonal pyramids. In the second Be site, Be(2) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form a mixture of corner and edge-sharing BeO4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one Na(1), two equivalent Na(2), and one Be(2) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Na(2), two equivalent Na(1), one Be(2), and two equivalent Be(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaBeO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.586
_cell_length_b   7.586
_cell_length_c   4.394
_cell_angle_alpha   78.611
_cell_angle_beta   78.611
_cell_angle_gamma   134.025
_symmetry_Int_Tables_number   1
_cell_volume   156.890
_cell_formula_units_Z   4
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  0.569  0.431  0.250  1.0
  Na  Na1  1  0.309  0.691  0.250  1.0
  Na  Na2  1  0.691  0.309  0.750  1.0
  Na  Na3  1  0.431  0.569  0.750  1.0
  Be  Be4  1  0.014  0.986  0.250  1.0
  Be  Be5  1  0.855  0.145  0.250  1.0
  Be  Be6  1  0.145  0.855  0.750  1.0
  Be  Be7  1  0.986  0.014  0.750  1.0
  O  O8  1  0.579  0.996  0.579  1.0
  O  O9  1  0.228  0.096  0.866  1.0
  O  O10  1  0.996  0.579  0.079  1.0
  O  O11  1  0.096  0.228  0.366  1.0
  O  O12  1  0.904  0.772  0.634  1.0
  O  O13  1  0.004  0.421  0.921  1.0
  O  O14  1  0.772  0.904  0.134  1.0
  O  O15  1  0.421  0.004  0.421  1.0
[/CIF]
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The crystal structure described by NaBeO2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(2) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded to four equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing BeO4 trigonal pyramids. In the second Be site, Be(2) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form a mixture of corner and edge-sharing BeO4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one Na(1), two equivalent Na(2), and one Be(2) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Na(2), two equivalent Na(1), one Be(2), and two equivalent Be(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaBeO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.586
_cell_length_b   7.586
_cell_length_c   4.394
_cell_angle_alpha   78.611
_cell_angle_beta   78.611
_cell_angle_gamma   134.025
_symmetry_Int_Tables_number   1
_cell_volume   156.890
_cell_formula_units_Z   4
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  0.569  0.431  0.250  1.0
  Na  Na1  1  0.309  0.691  0.250  1.0
  Na  Na2  1  0.691  0.309  0.750  1.0
  Na  Na3  1  0.431  0.569  0.750  1.0
  Be  Be4  1  0.014  0.986  0.250  1.0
  Be  Be5  1  0.855  0.145  0.250  1.0
  Be  Be6  1  0.145  0.855  0.750  1.0
  Be  Be7  1  0.986  0.014  0.750  1.0
  O  O8  1  0.579  0.996  0.579  1.0
  O  O9  1  0.228  0.096  0.866  1.0
  O  O10  1  0.996  0.579  0.079  1.0
  O  O11  1  0.096  0.228  0.366  1.0
  O  O12  1  0.904  0.772  0.634  1.0
  O  O13  1  0.004  0.421  0.921  1.0
  O  O14  1  0.772  0.904  0.134  1.0
  O  O15  1  0.421  0.004  0.421  1.0
[/CIF]
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