The material structure described by Ca5(CoN2)2 crystallizes in the tetragonal P4/ncc space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a distorted square co-planar geometry to four equivalent N(1) atoms. In the second Ca site, Ca(2) is bonded in a 4-coordinate geometry to four equivalent N(1) atoms. Co(1) is bonded in a linear geometry to two equivalent N(1) atoms. N(1) is bonded to one Ca(1), four equivalent Ca(2), and one Co(1) atom to form a mixture of distorted corner and edge-sharing NCa5Co octahedra. The corner-sharing octahedral tilt angles range from 2-22°. is represented by the CIF file [CIF]
data_Ca5(CoN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.053
_cell_length_b   8.053
_cell_length_c   12.050
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   781.362
_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
  Ca  Ca0  1  0.500  0.000  0.649  1.0
  Ca  Ca1  1  0.000  0.500  0.351  1.0
  Ca  Ca2  1  0.500  0.000  0.149  1.0
  Ca  Ca3  1  0.674  0.383  0.595  1.0
  Ca  Ca4  1  0.117  0.826  0.095  1.0
  Ca  Ca5  1  0.383  0.674  0.905  1.0
  Ca  Ca6  1  0.326  0.383  0.095  1.0
  Ca  Ca7  1  0.826  0.883  0.905  1.0
  Ca  Ca8  1  0.883  0.826  0.595  1.0
  Ca  Ca9  1  0.617  0.326  0.905  1.0
  Ca  Ca10  1  0.326  0.617  0.595  1.0
  Ca  Ca11  1  0.174  0.117  0.905  1.0
  Ca  Ca12  1  0.000  0.500  0.851  1.0
  Ca  Ca13  1  0.826  0.117  0.405  1.0
  Ca  Ca14  1  0.174  0.883  0.405  1.0
  Ca  Ca15  1  0.883  0.174  0.095  1.0
  Ca  Ca16  1  0.674  0.617  0.095  1.0
  Ca  Ca17  1  0.383  0.326  0.405  1.0
  Ca  Ca18  1  0.117  0.174  0.595  1.0
  Ca  Ca19  1  0.617  0.674  0.405  1.0
  Co  Co20  1  0.659  0.341  0.250  1.0
  Co  Co21  1  0.841  0.159  0.750  1.0
  Co  Co22  1  0.159  0.159  0.250  1.0
  Co  Co23  1  0.659  0.659  0.750  1.0
  Co  Co24  1  0.341  0.659  0.250  1.0
  Co  Co25  1  0.341  0.341  0.750  1.0
  Co  Co26  1  0.159  0.841  0.750  1.0
  Co  Co27  1  0.841  0.841  0.250  1.0
  N  N28  1  0.390  0.299  0.607  1.0
  N  N29  1  0.701  0.390  0.393  1.0
  N  N30  1  0.701  0.610  0.893  1.0
  N  N31  1  0.799  0.890  0.107  1.0
  N  N32  1  0.299  0.390  0.893  1.0
  N  N33  1  0.201  0.110  0.107  1.0
  N  N34  1  0.890  0.799  0.393  1.0
  N  N35  1  0.890  0.201  0.893  1.0
  N  N36  1  0.390  0.701  0.107  1.0
  N  N37  1  0.610  0.701  0.607  1.0
  N  N38  1  0.299  0.610  0.393  1.0
  N  N39  1  0.110  0.799  0.893  1.0
  N  N40  1  0.201  0.890  0.607  1.0
  N  N41  1  0.110  0.201  0.393  1.0
  N  N42  1  0.799  0.110  0.607  1.0
  N  N43  1  0.610  0.299  0.107  1.0
[/CIF]
.
The material structure described by Ca5(CoN2)2 crystallizes in the tetragonal P4/ncc space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a distorted square co-planar geometry to four equivalent N(1) atoms. In the second Ca site, Ca(2) is bonded in a 4-coordinate geometry to four equivalent N(1) atoms. Co(1) is bonded in a linear geometry to two equivalent N(1) atoms. N(1) is bonded to one Ca(1), four equivalent Ca(2), and one Co(1) atom to form a mixture of distorted corner and edge-sharing NCa5Co octahedra. The corner-sharing octahedral tilt angles range from 2-22°. is represented by the CIF file [CIF]
data_Ca5(CoN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.053
_cell_length_b   8.053
_cell_length_c   12.050
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   781.362
_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
  Ca  Ca0  1  0.500  0.000  0.649  1.0
  Ca  Ca1  1  0.000  0.500  0.351  1.0
  Ca  Ca2  1  0.500  0.000  0.149  1.0
  Ca  Ca3  1  0.674  0.383  0.595  1.0
  Ca  Ca4  1  0.117  0.826  0.095  1.0
  Ca  Ca5  1  0.383  0.674  0.905  1.0
  Ca  Ca6  1  0.326  0.383  0.095  1.0
  Ca  Ca7  1  0.826  0.883  0.905  1.0
  Ca  Ca8  1  0.883  0.826  0.595  1.0
  Ca  Ca9  1  0.617  0.326  0.905  1.0
  Ca  Ca10  1  0.326  0.617  0.595  1.0
  Ca  Ca11  1  0.174  0.117  0.905  1.0
  Ca  Ca12  1  0.000  0.500  0.851  1.0
  Ca  Ca13  1  0.826  0.117  0.405  1.0
  Ca  Ca14  1  0.174  0.883  0.405  1.0
  Ca  Ca15  1  0.883  0.174  0.095  1.0
  Ca  Ca16  1  0.674  0.617  0.095  1.0
  Ca  Ca17  1  0.383  0.326  0.405  1.0
  Ca  Ca18  1  0.117  0.174  0.595  1.0
  Ca  Ca19  1  0.617  0.674  0.405  1.0
  Co  Co20  1  0.659  0.341  0.250  1.0
  Co  Co21  1  0.841  0.159  0.750  1.0
  Co  Co22  1  0.159  0.159  0.250  1.0
  Co  Co23  1  0.659  0.659  0.750  1.0
  Co  Co24  1  0.341  0.659  0.250  1.0
  Co  Co25  1  0.341  0.341  0.750  1.0
  Co  Co26  1  0.159  0.841  0.750  1.0
  Co  Co27  1  0.841  0.841  0.250  1.0
  N  N28  1  0.390  0.299  0.607  1.0
  N  N29  1  0.701  0.390  0.393  1.0
  N  N30  1  0.701  0.610  0.893  1.0
  N  N31  1  0.799  0.890  0.107  1.0
  N  N32  1  0.299  0.390  0.893  1.0
  N  N33  1  0.201  0.110  0.107  1.0
  N  N34  1  0.890  0.799  0.393  1.0
  N  N35  1  0.890  0.201  0.893  1.0
  N  N36  1  0.390  0.701  0.107  1.0
  N  N37  1  0.610  0.701  0.607  1.0
  N  N38  1  0.299  0.610  0.393  1.0
  N  N39  1  0.110  0.799  0.893  1.0
  N  N40  1  0.201  0.890  0.607  1.0
  N  N41  1  0.110  0.201  0.393  1.0
  N  N42  1  0.799  0.110  0.607  1.0
  N  N43  1  0.610  0.299  0.107  1.0
[/CIF]
.