The material structure described by Ba2CuC(NO)2 crystallizes in the tetragonal P4/mmm space group. Ba(1) is bonded in a 8-coordinate geometry to four equivalent N(1) and four equivalent O(1) atoms. Cu(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. C(1) is bonded in a linear geometry to two equivalent N(1) atoms. N(1) is bonded in a distorted single-bond geometry to four equivalent Ba(1) and one C(1) atom. O(1) is bonded to four equivalent Ba(1) and two equivalent Cu(1) atoms to form a mixture of edge, corner, and face-sharing OBa4Cu2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Ba2CuC(NO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.952
_cell_length_b   3.952
_cell_length_c   8.594
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   134.245
_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
  Ba  Ba0  1  0.500  0.500  0.723  1.0
  Ba  Ba1  1  0.500  0.500  0.277  1.0
  Cu  Cu2  1  0.000  0.000  0.500  1.0
  C  C3  1  0.000  0.000  0.000  1.0
  N  N4  1  0.000  0.000  0.855  1.0
  N  N5  1  0.000  0.000  0.145  1.0
  O  O6  1  0.000  0.500  0.500  1.0
  O  O7  1  0.500  0.000  0.500  1.0
[/CIF]
.
The material structure described by Ba2CuC(NO)2 crystallizes in the tetragonal P4/mmm space group. Ba(1) is bonded in a 8-coordinate geometry to four equivalent N(1) and four equivalent O(1) atoms. Cu(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. C(1) is bonded in a linear geometry to two equivalent N(1) atoms. N(1) is bonded in a distorted single-bond geometry to four equivalent Ba(1) and one C(1) atom. O(1) is bonded to four equivalent Ba(1) and two equivalent Cu(1) atoms to form a mixture of edge, corner, and face-sharing OBa4Cu2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Ba2CuC(NO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.952
_cell_length_b   3.952
_cell_length_c   8.594
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   134.245
_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
  Ba  Ba0  1  0.500  0.500  0.723  1.0
  Ba  Ba1  1  0.500  0.500  0.277  1.0
  Cu  Cu2  1  0.000  0.000  0.500  1.0
  C  C3  1  0.000  0.000  0.000  1.0
  N  N4  1  0.000  0.000  0.855  1.0
  N  N5  1  0.000  0.000  0.145  1.0
  O  O6  1  0.000  0.500  0.500  1.0
  O  O7  1  0.500  0.000  0.500  1.0
[/CIF]
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