The material structure described by BaCa4(CoN2)2 is Pb(Zr_(1-x)Ti_x)O3-derived structured and crystallizes in the tetragonal P4/ncc space group. Ba(1) is bonded in a 4-coordinate geometry to four equivalent N(1) atoms. Ca(1) is bonded to four equivalent N(1) atoms to form a mixture of distorted edge and corner-sharing CaN4 trigonal pyramids. Co(1) is bonded in a linear geometry to two equivalent N(1) atoms. N(1) is bonded in a 6-coordinate geometry to one Ba(1), four equivalent Ca(1), and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaCa4(CoN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.376
_cell_length_b   8.376
_cell_length_c   12.109
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   849.567
_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
  Ba  Ba0  1  0.000  0.500  0.342  1.0
  Ba  Ba1  1  0.500  0.000  0.658  1.0
  Ba  Ba2  1  0.000  0.500  0.842  1.0
  Ba  Ba3  1  0.500  0.000  0.158  1.0
  Ca  Ca4  1  0.119  0.834  0.096  1.0
  Ca  Ca5  1  0.381  0.334  0.404  1.0
  Ca  Ca6  1  0.334  0.619  0.596  1.0
  Ca  Ca7  1  0.381  0.666  0.904  1.0
  Ca  Ca8  1  0.166  0.881  0.404  1.0
  Ca  Ca9  1  0.119  0.166  0.596  1.0
  Ca  Ca10  1  0.834  0.881  0.904  1.0
  Ca  Ca11  1  0.834  0.119  0.404  1.0
  Ca  Ca12  1  0.334  0.381  0.096  1.0
  Ca  Ca13  1  0.619  0.334  0.904  1.0
  Ca  Ca14  1  0.666  0.381  0.596  1.0
  Ca  Ca15  1  0.666  0.619  0.096  1.0
  Ca  Ca16  1  0.166  0.119  0.904  1.0
  Ca  Ca17  1  0.619  0.666  0.404  1.0
  Ca  Ca18  1  0.881  0.166  0.096  1.0
  Ca  Ca19  1  0.881  0.834  0.596  1.0
  Co  Co20  1  0.656  0.344  0.250  1.0
  Co  Co21  1  0.156  0.844  0.750  1.0
  Co  Co22  1  0.344  0.344  0.750  1.0
  Co  Co23  1  0.844  0.156  0.750  1.0
  Co  Co24  1  0.156  0.156  0.250  1.0
  Co  Co25  1  0.844  0.844  0.250  1.0
  Co  Co26  1  0.344  0.656  0.250  1.0
  Co  Co27  1  0.656  0.656  0.750  1.0
  N  N28  1  0.123  0.181  0.395  1.0
  N  N29  1  0.877  0.181  0.895  1.0
  N  N30  1  0.181  0.123  0.105  1.0
  N  N31  1  0.877  0.819  0.395  1.0
  N  N32  1  0.819  0.123  0.605  1.0
  N  N33  1  0.319  0.377  0.895  1.0
  N  N34  1  0.623  0.681  0.605  1.0
  N  N35  1  0.377  0.681  0.105  1.0
  N  N36  1  0.623  0.319  0.105  1.0
  N  N37  1  0.377  0.319  0.605  1.0
  N  N38  1  0.123  0.819  0.895  1.0
  N  N39  1  0.319  0.623  0.395  1.0
  N  N40  1  0.681  0.623  0.895  1.0
  N  N41  1  0.681  0.377  0.395  1.0
  N  N42  1  0.819  0.877  0.105  1.0
  N  N43  1  0.181  0.877  0.605  1.0
[/CIF]
.
The material structure described by BaCa4(CoN2)2 is Pb(Zr_(1-x)Ti_x)O3-derived structured and crystallizes in the tetragonal P4/ncc space group. Ba(1) is bonded in a 4-coordinate geometry to four equivalent N(1) atoms. Ca(1) is bonded to four equivalent N(1) atoms to form a mixture of distorted edge and corner-sharing CaN4 trigonal pyramids. Co(1) is bonded in a linear geometry to two equivalent N(1) atoms. N(1) is bonded in a 6-coordinate geometry to one Ba(1), four equivalent Ca(1), and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaCa4(CoN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.376
_cell_length_b   8.376
_cell_length_c   12.109
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   849.567
_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
  Ba  Ba0  1  0.000  0.500  0.342  1.0
  Ba  Ba1  1  0.500  0.000  0.658  1.0
  Ba  Ba2  1  0.000  0.500  0.842  1.0
  Ba  Ba3  1  0.500  0.000  0.158  1.0
  Ca  Ca4  1  0.119  0.834  0.096  1.0
  Ca  Ca5  1  0.381  0.334  0.404  1.0
  Ca  Ca6  1  0.334  0.619  0.596  1.0
  Ca  Ca7  1  0.381  0.666  0.904  1.0
  Ca  Ca8  1  0.166  0.881  0.404  1.0
  Ca  Ca9  1  0.119  0.166  0.596  1.0
  Ca  Ca10  1  0.834  0.881  0.904  1.0
  Ca  Ca11  1  0.834  0.119  0.404  1.0
  Ca  Ca12  1  0.334  0.381  0.096  1.0
  Ca  Ca13  1  0.619  0.334  0.904  1.0
  Ca  Ca14  1  0.666  0.381  0.596  1.0
  Ca  Ca15  1  0.666  0.619  0.096  1.0
  Ca  Ca16  1  0.166  0.119  0.904  1.0
  Ca  Ca17  1  0.619  0.666  0.404  1.0
  Ca  Ca18  1  0.881  0.166  0.096  1.0
  Ca  Ca19  1  0.881  0.834  0.596  1.0
  Co  Co20  1  0.656  0.344  0.250  1.0
  Co  Co21  1  0.156  0.844  0.750  1.0
  Co  Co22  1  0.344  0.344  0.750  1.0
  Co  Co23  1  0.844  0.156  0.750  1.0
  Co  Co24  1  0.156  0.156  0.250  1.0
  Co  Co25  1  0.844  0.844  0.250  1.0
  Co  Co26  1  0.344  0.656  0.250  1.0
  Co  Co27  1  0.656  0.656  0.750  1.0
  N  N28  1  0.123  0.181  0.395  1.0
  N  N29  1  0.877  0.181  0.895  1.0
  N  N30  1  0.181  0.123  0.105  1.0
  N  N31  1  0.877  0.819  0.395  1.0
  N  N32  1  0.819  0.123  0.605  1.0
  N  N33  1  0.319  0.377  0.895  1.0
  N  N34  1  0.623  0.681  0.605  1.0
  N  N35  1  0.377  0.681  0.105  1.0
  N  N36  1  0.623  0.319  0.105  1.0
  N  N37  1  0.377  0.319  0.605  1.0
  N  N38  1  0.123  0.819  0.895  1.0
  N  N39  1  0.319  0.623  0.395  1.0
  N  N40  1  0.681  0.623  0.895  1.0
  N  N41  1  0.681  0.377  0.395  1.0
  N  N42  1  0.819  0.877  0.105  1.0
  N  N43  1  0.181  0.877  0.605  1.0
[/CIF]
.