The compound described by CaC2(NO)2 crystallizes in the trigonal R3c space group. Ca(1) is bonded in a 8-coordinate geometry to one N(1), one N(2), three equivalent O(1), and three equivalent O(2) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to two equivalent N(1) and one O(1) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to two equivalent N(2) and one O(2) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to one Ca(1) and two equivalent C(1) atoms. In the second N site, N(2) is bonded in a 3-coordinate geometry to one Ca(1) and two equivalent C(2) atoms. There are two inequivalent O sites. In the first O site, O(2) is bonded in a 1-coordinate geometry to three equivalent Ca(1) and one C(2) atom. In the second O site, O(1) is bonded in a distorted single-bond geometry to three equivalent Ca(1) and one C(1) atom. is represented by the CIF card [CIF]
data_CaC2(NO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.826
_cell_length_b   7.826
_cell_length_c   7.826
_cell_angle_alpha   95.495
_cell_angle_beta   95.495
_cell_angle_gamma   95.495
_symmetry_Int_Tables_number   1
_cell_volume   472.291
_cell_formula_units_Z   6
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
  Ca  Ca0  1  0.751  0.037  0.386  1.0
  Ca  Ca1  1  0.386  0.751  0.037  1.0
  Ca  Ca2  1  0.037  0.386  0.751  1.0
  Ca  Ca3  1  0.886  0.537  0.251  1.0
  Ca  Ca4  1  0.251  0.886  0.537  1.0
  Ca  Ca5  1  0.537  0.251  0.886  1.0
  C  C6  1  0.554  0.596  0.379  1.0
  C  C7  1  0.379  0.554  0.596  1.0
  C  C8  1  0.596  0.379  0.554  1.0
  C  C9  1  0.879  0.096  0.054  1.0
  C  C10  1  0.054  0.879  0.096  1.0
  C  C11  1  0.096  0.054  0.879  1.0
  C  C12  1  0.855  0.767  0.627  1.0
  C  C13  1  0.627  0.855  0.767  1.0
  C  C14  1  0.767  0.627  0.855  1.0
  C  C15  1  0.127  0.267  0.355  1.0
  C  C16  1  0.355  0.127  0.267  1.0
  C  C17  1  0.267  0.355  0.127  1.0
  N  N18  1  0.419  0.643  0.462  1.0
  N  N19  1  0.462  0.419  0.643  1.0
  N  N20  1  0.643  0.462  0.419  1.0
  N  N21  1  0.962  0.143  0.919  1.0
  N  N22  1  0.919  0.962  0.143  1.0
  N  N23  1  0.143  0.919  0.962  1.0
  N  N24  1  0.733  0.878  0.643  1.0
  N  N25  1  0.643  0.733  0.878  1.0
  N  N26  1  0.878  0.643  0.733  1.0
  N  N27  1  0.143  0.378  0.233  1.0
  N  N28  1  0.233  0.143  0.378  1.0
  N  N29  1  0.378  0.233  0.143  1.0
  O  O30  1  0.607  0.682  0.257  1.0
  O  O31  1  0.257  0.607  0.682  1.0
  O  O32  1  0.682  0.257  0.607  1.0
  O  O33  1  0.757  0.182  0.107  1.0
  O  O34  1  0.107  0.757  0.182  1.0
  O  O35  1  0.182  0.107  0.757  1.0
  O  O36  1  0.949  0.782  0.500  1.0
  O  O37  1  0.500  0.949  0.782  1.0
  O  O38  1  0.782  0.500  0.949  1.0
  O  O39  1  1.000  0.282  0.449  1.0
  O  O40  1  0.449  1.000  0.282  1.0
  O  O41  1  0.282  0.449  1.000  1.0
[/CIF]
.
The compound described by CaC2(NO)2 crystallizes in the trigonal R3c space group. Ca(1) is bonded in a 8-coordinate geometry to one N(1), one N(2), three equivalent O(1), and three equivalent O(2) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to two equivalent N(1) and one O(1) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to two equivalent N(2) and one O(2) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to one Ca(1) and two equivalent C(1) atoms. In the second N site, N(2) is bonded in a 3-coordinate geometry to one Ca(1) and two equivalent C(2) atoms. There are two inequivalent O sites. In the first O site, O(2) is bonded in a 1-coordinate geometry to three equivalent Ca(1) and one C(2) atom. In the second O site, O(1) is bonded in a distorted single-bond geometry to three equivalent Ca(1) and one C(1) atom. is represented by the CIF card [CIF]
data_CaC2(NO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.826
_cell_length_b   7.826
_cell_length_c   7.826
_cell_angle_alpha   95.495
_cell_angle_beta   95.495
_cell_angle_gamma   95.495
_symmetry_Int_Tables_number   1
_cell_volume   472.291
_cell_formula_units_Z   6
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
  Ca  Ca0  1  0.751  0.037  0.386  1.0
  Ca  Ca1  1  0.386  0.751  0.037  1.0
  Ca  Ca2  1  0.037  0.386  0.751  1.0
  Ca  Ca3  1  0.886  0.537  0.251  1.0
  Ca  Ca4  1  0.251  0.886  0.537  1.0
  Ca  Ca5  1  0.537  0.251  0.886  1.0
  C  C6  1  0.554  0.596  0.379  1.0
  C  C7  1  0.379  0.554  0.596  1.0
  C  C8  1  0.596  0.379  0.554  1.0
  C  C9  1  0.879  0.096  0.054  1.0
  C  C10  1  0.054  0.879  0.096  1.0
  C  C11  1  0.096  0.054  0.879  1.0
  C  C12  1  0.855  0.767  0.627  1.0
  C  C13  1  0.627  0.855  0.767  1.0
  C  C14  1  0.767  0.627  0.855  1.0
  C  C15  1  0.127  0.267  0.355  1.0
  C  C16  1  0.355  0.127  0.267  1.0
  C  C17  1  0.267  0.355  0.127  1.0
  N  N18  1  0.419  0.643  0.462  1.0
  N  N19  1  0.462  0.419  0.643  1.0
  N  N20  1  0.643  0.462  0.419  1.0
  N  N21  1  0.962  0.143  0.919  1.0
  N  N22  1  0.919  0.962  0.143  1.0
  N  N23  1  0.143  0.919  0.962  1.0
  N  N24  1  0.733  0.878  0.643  1.0
  N  N25  1  0.643  0.733  0.878  1.0
  N  N26  1  0.878  0.643  0.733  1.0
  N  N27  1  0.143  0.378  0.233  1.0
  N  N28  1  0.233  0.143  0.378  1.0
  N  N29  1  0.378  0.233  0.143  1.0
  O  O30  1  0.607  0.682  0.257  1.0
  O  O31  1  0.257  0.607  0.682  1.0
  O  O32  1  0.682  0.257  0.607  1.0
  O  O33  1  0.757  0.182  0.107  1.0
  O  O34  1  0.107  0.757  0.182  1.0
  O  O35  1  0.182  0.107  0.757  1.0
  O  O36  1  0.949  0.782  0.500  1.0
  O  O37  1  0.500  0.949  0.782  1.0
  O  O38  1  0.782  0.500  0.949  1.0
  O  O39  1  1.000  0.282  0.449  1.0
  O  O40  1  0.449  1.000  0.282  1.0
  O  O41  1  0.282  0.449  1.000  1.0
[/CIF]
.