The compound described by SrCuN crystallizes in the orthorhombic Pnma space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form distorted corner-sharing SrN4 tetrahedra. In the second Sr site, Sr(2) is bonded in a 4-coordinate geometry to one N(2) and three equivalent N(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to one N(1) and one N(2) atom. In the second Cu site, Cu(2) is bonded in a linear geometry to two equivalent N(1) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Sr(1), three equivalent Sr(2), one Cu(1), and one Cu(2) atom to form a mixture of corner and edge-sharing NSr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the second N site, N(2) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Cu(1) atoms to form a mixture of distorted corner and edge-sharing NSr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 7-66°. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrCuN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.365
_cell_length_b   9.043
_cell_length_c   13.214
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   641.046
_cell_formula_units_Z   12
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
  Sr  Sr0  1  0.004  0.020  0.250  1.0
  Sr  Sr1  1  0.504  0.480  0.750  1.0
  Sr  Sr2  1  0.496  0.520  0.250  1.0
  Sr  Sr3  1  0.996  0.980  0.750  1.0
  Sr  Sr4  1  0.016  0.339  0.086  1.0
  Sr  Sr5  1  0.516  0.161  0.914  1.0
  Sr  Sr6  1  0.984  0.661  0.914  1.0
  Sr  Sr7  1  0.484  0.839  0.414  1.0
  Sr  Sr8  1  0.984  0.661  0.586  1.0
  Sr  Sr9  1  0.016  0.339  0.414  1.0
  Sr  Sr10  1  0.516  0.161  0.586  1.0
  Sr  Sr11  1  0.484  0.839  0.086  1.0
  Cu  Cu12  1  0.515  0.176  0.157  1.0
  Cu  Cu13  1  0.000  0.000  0.500  1.0
  Cu  Cu14  1  0.500  0.500  0.500  1.0
  Cu  Cu15  1  0.500  0.500  0.000  1.0
  Cu  Cu16  1  0.000  0.000  0.000  1.0
  Cu  Cu17  1  0.015  0.324  0.843  1.0
  Cu  Cu18  1  0.985  0.676  0.157  1.0
  Cu  Cu19  1  0.485  0.824  0.657  1.0
  Cu  Cu20  1  0.485  0.824  0.843  1.0
  Cu  Cu21  1  0.515  0.176  0.343  1.0
  Cu  Cu22  1  0.015  0.324  0.657  1.0
  Cu  Cu23  1  0.985  0.676  0.343  1.0
  N  N24  1  0.739  0.587  0.420  1.0
  N  N25  1  0.713  0.744  0.750  1.0
  N  N26  1  0.213  0.756  0.250  1.0
  N  N27  1  0.787  0.244  0.750  1.0
  N  N28  1  0.287  0.256  0.250  1.0
  N  N29  1  0.761  0.087  0.420  1.0
  N  N30  1  0.261  0.413  0.580  1.0
  N  N31  1  0.739  0.587  0.080  1.0
  N  N32  1  0.239  0.913  0.920  1.0
  N  N33  1  0.239  0.913  0.580  1.0
  N  N34  1  0.261  0.413  0.920  1.0
  N  N35  1  0.761  0.087  0.080  1.0
[/CIF]
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The compound described by SrCuN crystallizes in the orthorhombic Pnma space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form distorted corner-sharing SrN4 tetrahedra. In the second Sr site, Sr(2) is bonded in a 4-coordinate geometry to one N(2) and three equivalent N(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to one N(1) and one N(2) atom. In the second Cu site, Cu(2) is bonded in a linear geometry to two equivalent N(1) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Sr(1), three equivalent Sr(2), one Cu(1), and one Cu(2) atom to form a mixture of corner and edge-sharing NSr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the second N site, N(2) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Cu(1) atoms to form a mixture of distorted corner and edge-sharing NSr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 7-66°. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrCuN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.365
_cell_length_b   9.043
_cell_length_c   13.214
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   641.046
_cell_formula_units_Z   12
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
  Sr  Sr0  1  0.004  0.020  0.250  1.0
  Sr  Sr1  1  0.504  0.480  0.750  1.0
  Sr  Sr2  1  0.496  0.520  0.250  1.0
  Sr  Sr3  1  0.996  0.980  0.750  1.0
  Sr  Sr4  1  0.016  0.339  0.086  1.0
  Sr  Sr5  1  0.516  0.161  0.914  1.0
  Sr  Sr6  1  0.984  0.661  0.914  1.0
  Sr  Sr7  1  0.484  0.839  0.414  1.0
  Sr  Sr8  1  0.984  0.661  0.586  1.0
  Sr  Sr9  1  0.016  0.339  0.414  1.0
  Sr  Sr10  1  0.516  0.161  0.586  1.0
  Sr  Sr11  1  0.484  0.839  0.086  1.0
  Cu  Cu12  1  0.515  0.176  0.157  1.0
  Cu  Cu13  1  0.000  0.000  0.500  1.0
  Cu  Cu14  1  0.500  0.500  0.500  1.0
  Cu  Cu15  1  0.500  0.500  0.000  1.0
  Cu  Cu16  1  0.000  0.000  0.000  1.0
  Cu  Cu17  1  0.015  0.324  0.843  1.0
  Cu  Cu18  1  0.985  0.676  0.157  1.0
  Cu  Cu19  1  0.485  0.824  0.657  1.0
  Cu  Cu20  1  0.485  0.824  0.843  1.0
  Cu  Cu21  1  0.515  0.176  0.343  1.0
  Cu  Cu22  1  0.015  0.324  0.657  1.0
  Cu  Cu23  1  0.985  0.676  0.343  1.0
  N  N24  1  0.739  0.587  0.420  1.0
  N  N25  1  0.713  0.744  0.750  1.0
  N  N26  1  0.213  0.756  0.250  1.0
  N  N27  1  0.787  0.244  0.750  1.0
  N  N28  1  0.287  0.256  0.250  1.0
  N  N29  1  0.761  0.087  0.420  1.0
  N  N30  1  0.261  0.413  0.580  1.0
  N  N31  1  0.739  0.587  0.080  1.0
  N  N32  1  0.239  0.913  0.920  1.0
  N  N33  1  0.239  0.913  0.580  1.0
  N  N34  1  0.261  0.413  0.920  1.0
  N  N35  1  0.761  0.087  0.080  1.0
[/CIF]
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