The structure described by Ca3(CrN2)2 crystallizes in the orthorhombic Pnna space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 4-coordinate geometry to one N(1) and three equivalent N(2) atoms. In the second Ca site, Ca(2) is bonded in a 6-coordinate geometry to two equivalent N(2) and four equivalent N(1) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form edge-sharing CrN4 tetrahedra. In the second Cr site, Cr(2) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form distorted edge-sharing CrN4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 5-coordinate geometry to one Ca(1), two equivalent Ca(2), one Cr(1), and one Cr(2) atom. In the second N site, N(2) is bonded in a 6-coordinate geometry to one Ca(2), three equivalent Ca(1), one Cr(1), and one Cr(2) atom. is represented by the CIF file [CIF]
data_Ca3(CrN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.599
_cell_length_b   9.655
_cell_length_c   9.098
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   491.801
_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  0.619  0.156  0.418  1.0
  Ca  Ca1  1  0.881  0.844  0.418  1.0
  Ca  Ca2  1  0.619  0.344  0.082  1.0
  Ca  Ca3  1  0.881  0.656  0.082  1.0
  Ca  Ca4  1  0.381  0.844  0.582  1.0
  Ca  Ca5  1  0.119  0.156  0.582  1.0
  Ca  Ca6  1  0.381  0.656  0.918  1.0
  Ca  Ca7  1  0.119  0.344  0.918  1.0
  Ca  Ca8  1  0.750  0.500  0.402  1.0
  Ca  Ca9  1  0.750  0.000  0.098  1.0
  Ca  Ca10  1  0.250  0.500  0.598  1.0
  Ca  Ca11  1  0.250  0.000  0.902  1.0
  Cr  Cr12  1  0.750  0.500  0.735  1.0
  Cr  Cr13  1  0.750  0.000  0.765  1.0
  Cr  Cr14  1  0.250  0.500  0.265  1.0
  Cr  Cr15  1  0.250  0.000  0.235  1.0
  Cr  Cr16  1  0.653  0.250  0.750  1.0
  Cr  Cr17  1  0.847  0.750  0.750  1.0
  Cr  Cr18  1  0.347  0.750  0.250  1.0
  Cr  Cr19  1  0.153  0.250  0.250  1.0
  N  N20  1  0.868  0.352  0.624  1.0
  N  N21  1  0.632  0.648  0.624  1.0
  N  N22  1  0.868  0.148  0.876  1.0
  N  N23  1  0.632  0.852  0.876  1.0
  N  N24  1  0.132  0.648  0.376  1.0
  N  N25  1  0.368  0.352  0.376  1.0
  N  N26  1  0.132  0.852  0.124  1.0
  N  N27  1  0.368  0.148  0.124  1.0
  N  N28  1  0.507  0.412  0.837  1.0
  N  N29  1  0.993  0.588  0.837  1.0
  N  N30  1  0.507  0.088  0.663  1.0
  N  N31  1  0.993  0.912  0.663  1.0
  N  N32  1  0.493  0.588  0.163  1.0
  N  N33  1  0.007  0.412  0.163  1.0
  N  N34  1  0.493  0.912  0.337  1.0
  N  N35  1  0.007  0.088  0.337  1.0
[/CIF]
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The structure described by Ca3(CrN2)2 crystallizes in the orthorhombic Pnna space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 4-coordinate geometry to one N(1) and three equivalent N(2) atoms. In the second Ca site, Ca(2) is bonded in a 6-coordinate geometry to two equivalent N(2) and four equivalent N(1) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form edge-sharing CrN4 tetrahedra. In the second Cr site, Cr(2) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form distorted edge-sharing CrN4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 5-coordinate geometry to one Ca(1), two equivalent Ca(2), one Cr(1), and one Cr(2) atom. In the second N site, N(2) is bonded in a 6-coordinate geometry to one Ca(2), three equivalent Ca(1), one Cr(1), and one Cr(2) atom. is represented by the CIF file [CIF]
data_Ca3(CrN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.599
_cell_length_b   9.655
_cell_length_c   9.098
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   491.801
_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  0.619  0.156  0.418  1.0
  Ca  Ca1  1  0.881  0.844  0.418  1.0
  Ca  Ca2  1  0.619  0.344  0.082  1.0
  Ca  Ca3  1  0.881  0.656  0.082  1.0
  Ca  Ca4  1  0.381  0.844  0.582  1.0
  Ca  Ca5  1  0.119  0.156  0.582  1.0
  Ca  Ca6  1  0.381  0.656  0.918  1.0
  Ca  Ca7  1  0.119  0.344  0.918  1.0
  Ca  Ca8  1  0.750  0.500  0.402  1.0
  Ca  Ca9  1  0.750  0.000  0.098  1.0
  Ca  Ca10  1  0.250  0.500  0.598  1.0
  Ca  Ca11  1  0.250  0.000  0.902  1.0
  Cr  Cr12  1  0.750  0.500  0.735  1.0
  Cr  Cr13  1  0.750  0.000  0.765  1.0
  Cr  Cr14  1  0.250  0.500  0.265  1.0
  Cr  Cr15  1  0.250  0.000  0.235  1.0
  Cr  Cr16  1  0.653  0.250  0.750  1.0
  Cr  Cr17  1  0.847  0.750  0.750  1.0
  Cr  Cr18  1  0.347  0.750  0.250  1.0
  Cr  Cr19  1  0.153  0.250  0.250  1.0
  N  N20  1  0.868  0.352  0.624  1.0
  N  N21  1  0.632  0.648  0.624  1.0
  N  N22  1  0.868  0.148  0.876  1.0
  N  N23  1  0.632  0.852  0.876  1.0
  N  N24  1  0.132  0.648  0.376  1.0
  N  N25  1  0.368  0.352  0.376  1.0
  N  N26  1  0.132  0.852  0.124  1.0
  N  N27  1  0.368  0.148  0.124  1.0
  N  N28  1  0.507  0.412  0.837  1.0
  N  N29  1  0.993  0.588  0.837  1.0
  N  N30  1  0.507  0.088  0.663  1.0
  N  N31  1  0.993  0.912  0.663  1.0
  N  N32  1  0.493  0.588  0.163  1.0
  N  N33  1  0.007  0.412  0.163  1.0
  N  N34  1  0.493  0.912  0.337  1.0
  N  N35  1  0.007  0.088  0.337  1.0
[/CIF]
.