The crystal structure described by CrCo2N3 crystallizes in the orthorhombic Cmce space group. Cr(1) is bonded to one N(1), one N(2), and two equivalent N(3) atoms to form distorted CrN4 tetrahedra that share corners with two equivalent Cr(1)N4 tetrahedra, corners with four equivalent Co(2)N4 trigonal pyramids, and  an edgeedge with one Co(2)N4 trigonal pyramid. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted trigonal planar geometry to one N(2) and two equivalent N(1) atoms. In the second Co site, Co(2) is bonded to one N(1), one N(2), and two equivalent N(3) atoms to form distorted CoN4 trigonal pyramids that share corners with four equivalent Cr(1)N4 tetrahedra, corners with two equivalent Co(2)N4 trigonal pyramids, and  an edgeedge with one Cr(1)N4 tetrahedra. There are three inequivalent N sites. In the first N site, N(3) is bonded in a 4-coordinate geometry to two equivalent Cr(1) and two equivalent Co(2) atoms. In the second N site, N(1) is bonded in a rectangular see-saw-like geometry to one Cr(1), one Co(2), and two equivalent Co(1) atoms. In the third N site, N(2) is bonded in a T-shaped geometry to one Cr(1), one Co(1), and one Co(2) atom. is represented by the CIF card [CIF]
data_CrCo2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.381
_cell_length_b   8.988
_cell_length_c   9.495
_cell_angle_alpha   89.999
_cell_angle_beta   89.999
_cell_angle_gamma   33.369
_symmetry_Int_Tables_number   1
_cell_volume   252.593
_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
  Cr  Cr0  1  0.000  0.310  0.851  1.0
  Cr  Cr1  1  1.000  0.690  0.149  1.0
  Cr  Cr2  1  1.000  0.190  0.351  1.0
  Cr  Cr3  1  0.000  0.810  0.649  1.0
  Co  Co4  1  1.000  0.494  0.625  1.0
  Co  Co5  1  0.000  0.506  0.375  1.0
  Co  Co6  1  1.000  0.006  0.125  1.0
  Co  Co7  1  0.000  0.994  0.875  1.0
  Co  Co8  1  0.000  0.197  0.631  1.0
  Co  Co9  1  1.000  0.803  0.369  1.0
  Co  Co10  1  1.000  0.303  0.131  1.0
  Co  Co11  1  0.000  0.697  0.869  1.0
  N  N12  1  1.000  0.157  0.995  1.0
  N  N13  1  0.000  0.843  0.005  1.0
  N  N14  1  0.000  0.343  0.495  1.0
  N  N15  1  1.000  0.657  0.505  1.0
  N  N16  1  0.000  0.500  0.828  1.0
  N  N17  1  1.000  0.500  0.172  1.0
  N  N18  1  1.000  0.000  0.328  1.0
  N  N19  1  0.000  1.000  0.672  1.0
  N  N20  1  0.500  0.504  0.750  1.0
  N  N21  1  0.500  0.996  0.250  1.0
  N  N22  1  0.500  0.496  0.250  1.0
  N  N23  1  0.500  0.004  0.750  1.0
[/CIF]
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The crystal structure described by CrCo2N3 crystallizes in the orthorhombic Cmce space group. Cr(1) is bonded to one N(1), one N(2), and two equivalent N(3) atoms to form distorted CrN4 tetrahedra that share corners with two equivalent Cr(1)N4 tetrahedra, corners with four equivalent Co(2)N4 trigonal pyramids, and  an edgeedge with one Co(2)N4 trigonal pyramid. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted trigonal planar geometry to one N(2) and two equivalent N(1) atoms. In the second Co site, Co(2) is bonded to one N(1), one N(2), and two equivalent N(3) atoms to form distorted CoN4 trigonal pyramids that share corners with four equivalent Cr(1)N4 tetrahedra, corners with two equivalent Co(2)N4 trigonal pyramids, and  an edgeedge with one Cr(1)N4 tetrahedra. There are three inequivalent N sites. In the first N site, N(3) is bonded in a 4-coordinate geometry to two equivalent Cr(1) and two equivalent Co(2) atoms. In the second N site, N(1) is bonded in a rectangular see-saw-like geometry to one Cr(1), one Co(2), and two equivalent Co(1) atoms. In the third N site, N(2) is bonded in a T-shaped geometry to one Cr(1), one Co(1), and one Co(2) atom. is represented by the CIF card [CIF]
data_CrCo2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.381
_cell_length_b   8.988
_cell_length_c   9.495
_cell_angle_alpha   89.999
_cell_angle_beta   89.999
_cell_angle_gamma   33.369
_symmetry_Int_Tables_number   1
_cell_volume   252.593
_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
  Cr  Cr0  1  0.000  0.310  0.851  1.0
  Cr  Cr1  1  1.000  0.690  0.149  1.0
  Cr  Cr2  1  1.000  0.190  0.351  1.0
  Cr  Cr3  1  0.000  0.810  0.649  1.0
  Co  Co4  1  1.000  0.494  0.625  1.0
  Co  Co5  1  0.000  0.506  0.375  1.0
  Co  Co6  1  1.000  0.006  0.125  1.0
  Co  Co7  1  0.000  0.994  0.875  1.0
  Co  Co8  1  0.000  0.197  0.631  1.0
  Co  Co9  1  1.000  0.803  0.369  1.0
  Co  Co10  1  1.000  0.303  0.131  1.0
  Co  Co11  1  0.000  0.697  0.869  1.0
  N  N12  1  1.000  0.157  0.995  1.0
  N  N13  1  0.000  0.843  0.005  1.0
  N  N14  1  0.000  0.343  0.495  1.0
  N  N15  1  1.000  0.657  0.505  1.0
  N  N16  1  0.000  0.500  0.828  1.0
  N  N17  1  1.000  0.500  0.172  1.0
  N  N18  1  1.000  0.000  0.328  1.0
  N  N19  1  0.000  1.000  0.672  1.0
  N  N20  1  0.500  0.504  0.750  1.0
  N  N21  1  0.500  0.996  0.250  1.0
  N  N22  1  0.500  0.496  0.250  1.0
  N  N23  1  0.500  0.004  0.750  1.0
[/CIF]
.