The material described by NaB(CN)4 is high (beta) Cristobalite-derived structured and crystallizes in the cubic Fd-3m space group. The structure consists of a NaB(CN)4 framework. Na(1) is bonded in a tetrahedral geometry to four equivalent N(1) atoms. B(1) is bonded in a tetrahedral geometry to four equivalent C(1) atoms. C(1) is bonded in a linear geometry to one B(1) and one N(1) atom. N(1) is bonded in a linear geometry to one Na(1) and one C(1) atom. is represented by the CIF card [CIF]
data_NaB(CN)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.398
_cell_length_b   8.398
_cell_length_c   8.398
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   418.862
_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  0.250  0.250  0.250  1.0
  Na  Na1  1  0.000  0.000  0.000  1.0
  B  B2  1  0.500  0.500  0.500  1.0
  B  B3  1  0.750  0.750  0.750  1.0
  C  C4  1  0.732  0.423  0.423  1.0
  C  C5  1  0.518  0.827  0.827  1.0
  C  C6  1  0.827  0.827  0.518  1.0
  C  C7  1  0.827  0.518  0.827  1.0
  C  C8  1  0.423  0.423  0.732  1.0
  C  C9  1  0.827  0.827  0.827  1.0
  C  C10  1  0.423  0.423  0.423  1.0
  C  C11  1  0.423  0.732  0.423  1.0
  N  N12  1  0.884  0.884  0.349  1.0
  N  N13  1  0.884  0.884  0.884  1.0
  N  N14  1  0.366  0.901  0.366  1.0
  N  N15  1  0.366  0.366  0.366  1.0
  N  N16  1  0.884  0.349  0.884  1.0
  N  N17  1  0.901  0.366  0.366  1.0
  N  N18  1  0.366  0.366  0.901  1.0
  N  N19  1  0.349  0.884  0.884  1.0
[/CIF]
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The material described by NaB(CN)4 is high (beta) Cristobalite-derived structured and crystallizes in the cubic Fd-3m space group. The structure consists of a NaB(CN)4 framework. Na(1) is bonded in a tetrahedral geometry to four equivalent N(1) atoms. B(1) is bonded in a tetrahedral geometry to four equivalent C(1) atoms. C(1) is bonded in a linear geometry to one B(1) and one N(1) atom. N(1) is bonded in a linear geometry to one Na(1) and one C(1) atom. is represented by the CIF card [CIF]
data_NaB(CN)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.398
_cell_length_b   8.398
_cell_length_c   8.398
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   418.862
_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  0.250  0.250  0.250  1.0
  Na  Na1  1  0.000  0.000  0.000  1.0
  B  B2  1  0.500  0.500  0.500  1.0
  B  B3  1  0.750  0.750  0.750  1.0
  C  C4  1  0.732  0.423  0.423  1.0
  C  C5  1  0.518  0.827  0.827  1.0
  C  C6  1  0.827  0.827  0.518  1.0
  C  C7  1  0.827  0.518  0.827  1.0
  C  C8  1  0.423  0.423  0.732  1.0
  C  C9  1  0.827  0.827  0.827  1.0
  C  C10  1  0.423  0.423  0.423  1.0
  C  C11  1  0.423  0.732  0.423  1.0
  N  N12  1  0.884  0.884  0.349  1.0
  N  N13  1  0.884  0.884  0.884  1.0
  N  N14  1  0.366  0.901  0.366  1.0
  N  N15  1  0.366  0.366  0.366  1.0
  N  N16  1  0.884  0.349  0.884  1.0
  N  N17  1  0.901  0.366  0.366  1.0
  N  N18  1  0.366  0.366  0.901  1.0
  N  N19  1  0.349  0.884  0.884  1.0
[/CIF]
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