The crystal structure described by Y2CrN3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 7-coordinate geometry to one N(1), one N(4), two equivalent N(3), and three equivalent N(2) atoms. In the second Y site, Y(2) is bonded in a 7-coordinate geometry to one N(1), one N(4), two equivalent N(2), and three equivalent N(3) atoms. Cr(1) is bonded to one N(1), one N(2), one N(3), and one N(4) atom to form corner-sharing CrN4 tetrahedra. There are four inequivalent N sites. In the first N site, N(4) is bonded in a distorted linear geometry to two equivalent Y(1), two equivalent Y(2), and two equivalent Cr(1) atoms. In the second N site, N(1) is bonded to two equivalent Y(1), two equivalent Y(2), and two equivalent Cr(1) atoms to form a mixture of distorted corner and face-sharing NY4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 40-61°. In the third N site, N(2) is bonded in a 6-coordinate geometry to two equivalent Y(2), three equivalent Y(1), and one Cr(1) atom. In the fourth N site, N(3) is bonded to two equivalent Y(1), three equivalent Y(2), and one Cr(1) atom to form distorted NY5Cr octahedra that share corners with two equivalent N(3)Y5Cr octahedra, corners with three equivalent N(1)Y4Cr2 octahedra, edges with three equivalent N(3)Y5Cr octahedra, and  a faceface with one N(1)Y4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 19-61°. is represented by the CIF card [CIF]
data_Y2CrN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.885
_cell_length_b   10.576
_cell_length_c   11.425
_cell_angle_alpha   90.000
_cell_angle_beta   91.847
_cell_angle_gamma   153.968
_symmetry_Int_Tables_number   1
_cell_volume   311.255
_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
  Y  Y0  1  0.459  0.026  0.853  1.0
  Y  Y1  1  0.541  0.567  0.647  1.0
  Y  Y2  1  0.541  0.974  0.147  1.0
  Y  Y3  1  0.459  0.433  0.353  1.0
  Y  Y4  1  0.528  0.872  0.572  1.0
  Y  Y5  1  0.472  0.344  0.928  1.0
  Y  Y6  1  0.472  0.128  0.428  1.0
  Y  Y7  1  0.528  0.656  0.072  1.0
  Cr  Cr8  1  0.580  0.286  0.673  1.0
  Cr  Cr9  1  0.420  0.706  0.827  1.0
  Cr  Cr10  1  0.420  0.714  0.327  1.0
  Cr  Cr11  1  0.580  0.294  0.173  1.0
  N  N12  1  0.000  0.627  0.750  1.0
  N  N13  1  0.000  0.373  0.250  1.0
  N  N14  1  0.606  0.125  0.629  1.0
  N  N15  1  0.394  0.519  0.871  1.0
  N  N16  1  0.394  0.875  0.371  1.0
  N  N17  1  0.606  0.481  0.129  1.0
  N  N18  1  0.484  0.146  0.037  1.0
  N  N19  1  0.516  0.662  0.463  1.0
  N  N20  1  0.516  0.854  0.963  1.0
  N  N21  1  0.484  0.338  0.537  1.0
  N  N22  1  0.000  0.995  0.750  1.0
  N  N23  1  0.000  0.005  0.250  1.0
[/CIF]
.
The crystal structure described by Y2CrN3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 7-coordinate geometry to one N(1), one N(4), two equivalent N(3), and three equivalent N(2) atoms. In the second Y site, Y(2) is bonded in a 7-coordinate geometry to one N(1), one N(4), two equivalent N(2), and three equivalent N(3) atoms. Cr(1) is bonded to one N(1), one N(2), one N(3), and one N(4) atom to form corner-sharing CrN4 tetrahedra. There are four inequivalent N sites. In the first N site, N(4) is bonded in a distorted linear geometry to two equivalent Y(1), two equivalent Y(2), and two equivalent Cr(1) atoms. In the second N site, N(1) is bonded to two equivalent Y(1), two equivalent Y(2), and two equivalent Cr(1) atoms to form a mixture of distorted corner and face-sharing NY4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 40-61°. In the third N site, N(2) is bonded in a 6-coordinate geometry to two equivalent Y(2), three equivalent Y(1), and one Cr(1) atom. In the fourth N site, N(3) is bonded to two equivalent Y(1), three equivalent Y(2), and one Cr(1) atom to form distorted NY5Cr octahedra that share corners with two equivalent N(3)Y5Cr octahedra, corners with three equivalent N(1)Y4Cr2 octahedra, edges with three equivalent N(3)Y5Cr octahedra, and  a faceface with one N(1)Y4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 19-61°. is represented by the CIF card [CIF]
data_Y2CrN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.885
_cell_length_b   10.576
_cell_length_c   11.425
_cell_angle_alpha   90.000
_cell_angle_beta   91.847
_cell_angle_gamma   153.968
_symmetry_Int_Tables_number   1
_cell_volume   311.255
_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
  Y  Y0  1  0.459  0.026  0.853  1.0
  Y  Y1  1  0.541  0.567  0.647  1.0
  Y  Y2  1  0.541  0.974  0.147  1.0
  Y  Y3  1  0.459  0.433  0.353  1.0
  Y  Y4  1  0.528  0.872  0.572  1.0
  Y  Y5  1  0.472  0.344  0.928  1.0
  Y  Y6  1  0.472  0.128  0.428  1.0
  Y  Y7  1  0.528  0.656  0.072  1.0
  Cr  Cr8  1  0.580  0.286  0.673  1.0
  Cr  Cr9  1  0.420  0.706  0.827  1.0
  Cr  Cr10  1  0.420  0.714  0.327  1.0
  Cr  Cr11  1  0.580  0.294  0.173  1.0
  N  N12  1  0.000  0.627  0.750  1.0
  N  N13  1  0.000  0.373  0.250  1.0
  N  N14  1  0.606  0.125  0.629  1.0
  N  N15  1  0.394  0.519  0.871  1.0
  N  N16  1  0.394  0.875  0.371  1.0
  N  N17  1  0.606  0.481  0.129  1.0
  N  N18  1  0.484  0.146  0.037  1.0
  N  N19  1  0.516  0.662  0.463  1.0
  N  N20  1  0.516  0.854  0.963  1.0
  N  N21  1  0.484  0.338  0.537  1.0
  N  N22  1  0.000  0.995  0.750  1.0
  N  N23  1  0.000  0.005  0.250  1.0
[/CIF]
.