The material described by Cr3(GaN2)2 crystallizes in the orthorhombic Pnna space group. 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 a mixture of corner and edge-sharing CrN4 trigonal pyramids. In the second Cr site, Cr(2) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form a mixture of corner and edge-sharing CrN4 tetrahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a bent 120 degrees geometry to two equivalent N(1) atoms. In the second Ga site, Ga(2) is bonded in a water-like geometry to two equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted see-saw-like geometry to one Cr(2), two equivalent Cr(1), and one Ga(1) atom. In the second N site, N(2) is bonded in a distorted see-saw-like geometry to one Cr(2), two equivalent Cr(1), and one Ga(2) atom. is represented by the CIF card [CIF]
data_Cr3(GaN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.346
_cell_length_b   8.796
_cell_length_c   7.614
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   425.001
_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  0.568  0.239  0.415  1.0
  Cr  Cr1  1  0.932  0.761  0.415  1.0
  Cr  Cr2  1  0.568  0.261  0.085  1.0
  Cr  Cr3  1  0.932  0.739  0.085  1.0
  Cr  Cr4  1  0.432  0.761  0.585  1.0
  Cr  Cr5  1  0.068  0.239  0.585  1.0
  Cr  Cr6  1  0.432  0.739  0.915  1.0
  Cr  Cr7  1  0.068  0.261  0.915  1.0
  Cr  Cr8  1  0.750  0.500  0.193  1.0
  Cr  Cr9  1  0.750  0.000  0.307  1.0
  Cr  Cr10  1  0.250  0.500  0.807  1.0
  Cr  Cr11  1  0.250  0.000  0.693  1.0
  Ga  Ga12  1  0.750  0.500  0.598  1.0
  Ga  Ga13  1  0.750  0.000  0.902  1.0
  Ga  Ga14  1  0.250  0.500  0.402  1.0
  Ga  Ga15  1  0.250  0.000  0.098  1.0
  Ga  Ga16  1  0.552  0.250  0.750  1.0
  Ga  Ga17  1  0.948  0.750  0.750  1.0
  Ga  Ga18  1  0.448  0.750  0.250  1.0
  Ga  Ga19  1  0.052  0.250  0.250  1.0
  N  N20  1  0.003  0.406  0.727  1.0
  N  N21  1  0.497  0.594  0.727  1.0
  N  N22  1  0.003  0.094  0.773  1.0
  N  N23  1  0.497  0.906  0.773  1.0
  N  N24  1  0.997  0.594  0.273  1.0
  N  N25  1  0.503  0.406  0.273  1.0
  N  N26  1  0.997  0.906  0.227  1.0
  N  N27  1  0.503  0.094  0.227  1.0
  N  N28  1  0.348  0.345  0.944  1.0
  N  N29  1  0.152  0.655  0.944  1.0
  N  N30  1  0.348  0.155  0.556  1.0
  N  N31  1  0.152  0.845  0.556  1.0
  N  N32  1  0.652  0.655  0.056  1.0
  N  N33  1  0.848  0.345  0.056  1.0
  N  N34  1  0.652  0.845  0.444  1.0
  N  N35  1  0.848  0.155  0.444  1.0
[/CIF]
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The material described by Cr3(GaN2)2 crystallizes in the orthorhombic Pnna space group. 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 a mixture of corner and edge-sharing CrN4 trigonal pyramids. In the second Cr site, Cr(2) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form a mixture of corner and edge-sharing CrN4 tetrahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a bent 120 degrees geometry to two equivalent N(1) atoms. In the second Ga site, Ga(2) is bonded in a water-like geometry to two equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted see-saw-like geometry to one Cr(2), two equivalent Cr(1), and one Ga(1) atom. In the second N site, N(2) is bonded in a distorted see-saw-like geometry to one Cr(2), two equivalent Cr(1), and one Ga(2) atom. is represented by the CIF card [CIF]
data_Cr3(GaN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.346
_cell_length_b   8.796
_cell_length_c   7.614
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   425.001
_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  0.568  0.239  0.415  1.0
  Cr  Cr1  1  0.932  0.761  0.415  1.0
  Cr  Cr2  1  0.568  0.261  0.085  1.0
  Cr  Cr3  1  0.932  0.739  0.085  1.0
  Cr  Cr4  1  0.432  0.761  0.585  1.0
  Cr  Cr5  1  0.068  0.239  0.585  1.0
  Cr  Cr6  1  0.432  0.739  0.915  1.0
  Cr  Cr7  1  0.068  0.261  0.915  1.0
  Cr  Cr8  1  0.750  0.500  0.193  1.0
  Cr  Cr9  1  0.750  0.000  0.307  1.0
  Cr  Cr10  1  0.250  0.500  0.807  1.0
  Cr  Cr11  1  0.250  0.000  0.693  1.0
  Ga  Ga12  1  0.750  0.500  0.598  1.0
  Ga  Ga13  1  0.750  0.000  0.902  1.0
  Ga  Ga14  1  0.250  0.500  0.402  1.0
  Ga  Ga15  1  0.250  0.000  0.098  1.0
  Ga  Ga16  1  0.552  0.250  0.750  1.0
  Ga  Ga17  1  0.948  0.750  0.750  1.0
  Ga  Ga18  1  0.448  0.750  0.250  1.0
  Ga  Ga19  1  0.052  0.250  0.250  1.0
  N  N20  1  0.003  0.406  0.727  1.0
  N  N21  1  0.497  0.594  0.727  1.0
  N  N22  1  0.003  0.094  0.773  1.0
  N  N23  1  0.497  0.906  0.773  1.0
  N  N24  1  0.997  0.594  0.273  1.0
  N  N25  1  0.503  0.406  0.273  1.0
  N  N26  1  0.997  0.906  0.227  1.0
  N  N27  1  0.503  0.094  0.227  1.0
  N  N28  1  0.348  0.345  0.944  1.0
  N  N29  1  0.152  0.655  0.944  1.0
  N  N30  1  0.348  0.155  0.556  1.0
  N  N31  1  0.152  0.845  0.556  1.0
  N  N32  1  0.652  0.655  0.056  1.0
  N  N33  1  0.848  0.345  0.056  1.0
  N  N34  1  0.652  0.845  0.444  1.0
  N  N35  1  0.848  0.155  0.444  1.0
[/CIF]
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