The compound described by CuB(CN)4 is high (beta) Cristobalite-derived structured and crystallizes in the cubic P-43m space group. Cu(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 Cu(1) and one C(1) atom. is represented by the CIF card [CIF]
data_CuB(CN)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.426
_cell_length_b   5.426
_cell_length_c   5.426
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   159.727
_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
  Cu  Cu0  1  0.500  0.500  0.500  1.0
  B  B1  1  0.000  0.000  0.000  1.0
  C  C2  1  0.831  0.169  0.169  1.0
  C  C3  1  0.831  0.831  0.831  1.0
  C  C4  1  0.169  0.169  0.831  1.0
  C  C5  1  0.169  0.831  0.169  1.0
  N  N6  1  0.707  0.707  0.707  1.0
  N  N7  1  0.707  0.293  0.293  1.0
  N  N8  1  0.293  0.293  0.707  1.0
  N  N9  1  0.293  0.707  0.293  1.0
[/CIF]
.
The compound described by CuB(CN)4 is high (beta) Cristobalite-derived structured and crystallizes in the cubic P-43m space group. Cu(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 Cu(1) and one C(1) atom. is represented by the CIF card [CIF]
data_CuB(CN)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.426
_cell_length_b   5.426
_cell_length_c   5.426
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   159.727
_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
  Cu  Cu0  1  0.500  0.500  0.500  1.0
  B  B1  1  0.000  0.000  0.000  1.0
  C  C2  1  0.831  0.169  0.169  1.0
  C  C3  1  0.831  0.831  0.831  1.0
  C  C4  1  0.169  0.169  0.831  1.0
  C  C5  1  0.169  0.831  0.169  1.0
  N  N6  1  0.707  0.707  0.707  1.0
  N  N7  1  0.707  0.293  0.293  1.0
  N  N8  1  0.293  0.293  0.707  1.0
  N  N9  1  0.293  0.707  0.293  1.0
[/CIF]
.