The material structure described by Sr8Cu3In4N5 crystallizes in the orthorhombic Immm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 3-coordinate geometry to one In(1), two equivalent In(2), and three equivalent N(1) atoms. In the second Sr site, Sr(2) is bonded in a 3-coordinate geometry to two equivalent In(1), one N(2), and two equivalent N(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to two equivalent N(1) atoms. In the second Cu site, Cu(2) is bonded in a linear geometry to two equivalent N(2) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 10-coordinate geometry to two equivalent Sr(1), four equivalent Sr(2), and four equivalent In(2) atoms. In the second In site, In(2) is bonded in a 9-coordinate geometry to four equivalent Sr(1), one In(2), and four equivalent In(1) atoms. There are two inequivalent N sites. In the first N site, N(2) is bonded to four equivalent Sr(2) and two equivalent Cu(2) atoms to form NSr4Cu2 octahedra that share corners with two equivalent N(2)Sr4Cu2 octahedra and corners with eight equivalent N(1)Sr5Cu octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the second N site, N(1) is bonded to two equivalent Sr(2), three equivalent Sr(1), and one Cu(1) atom to form NSr5Cu octahedra that share  a cornercorner with one N(1)Sr5Cu octahedra, corners with two equivalent N(2)Sr4Cu2 octahedra, and edges with four equivalent N(1)Sr5Cu octahedra. The corner-sharing octahedral tilt angles range from 2-61°. is represented by the CIF file [CIF]
data_Sr8In4Cu3N5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.553
_cell_length_b   11.553
_cell_length_c   11.553
_cell_angle_alpha   160.768
_cell_angle_beta   114.687
_cell_angle_gamma   68.786
_symmetry_Int_Tables_number   1
_cell_volume   458.813
_cell_formula_units_Z   1
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  0.563  0.711  0.852  1.0
  Sr  Sr1  1  0.749  0.902  0.848  1.0
  Sr  Sr2  1  0.437  0.289  0.148  1.0
  Sr  Sr3  1  0.859  0.711  0.148  1.0
  Sr  Sr4  1  0.141  0.289  0.852  1.0
  Sr  Sr5  1  0.251  0.098  0.152  1.0
  Sr  Sr6  1  0.054  0.902  0.152  1.0
  Sr  Sr7  1  0.946  0.098  0.848  1.0
  In  In8  1  0.648  0.500  0.148  1.0
  In  In9  1  0.352  0.500  0.852  1.0
  In  In10  1  0.416  0.916  0.500  1.0
  In  In11  1  0.584  0.084  0.500  1.0
  Cu  Cu12  1  0.192  0.692  0.500  1.0
  Cu  Cu13  1  0.808  0.308  0.500  1.0
  Cu  Cu14  1  0.000  0.500  0.500  1.0
  N  N15  1  0.346  0.694  0.651  1.0
  N  N16  1  0.957  0.306  0.651  1.0
  N  N17  1  0.043  0.694  0.349  1.0
  N  N18  1  0.000  0.000  0.000  1.0
  N  N19  1  0.654  0.306  0.349  1.0
[/CIF]
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The material structure described by Sr8Cu3In4N5 crystallizes in the orthorhombic Immm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 3-coordinate geometry to one In(1), two equivalent In(2), and three equivalent N(1) atoms. In the second Sr site, Sr(2) is bonded in a 3-coordinate geometry to two equivalent In(1), one N(2), and two equivalent N(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to two equivalent N(1) atoms. In the second Cu site, Cu(2) is bonded in a linear geometry to two equivalent N(2) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 10-coordinate geometry to two equivalent Sr(1), four equivalent Sr(2), and four equivalent In(2) atoms. In the second In site, In(2) is bonded in a 9-coordinate geometry to four equivalent Sr(1), one In(2), and four equivalent In(1) atoms. There are two inequivalent N sites. In the first N site, N(2) is bonded to four equivalent Sr(2) and two equivalent Cu(2) atoms to form NSr4Cu2 octahedra that share corners with two equivalent N(2)Sr4Cu2 octahedra and corners with eight equivalent N(1)Sr5Cu octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the second N site, N(1) is bonded to two equivalent Sr(2), three equivalent Sr(1), and one Cu(1) atom to form NSr5Cu octahedra that share  a cornercorner with one N(1)Sr5Cu octahedra, corners with two equivalent N(2)Sr4Cu2 octahedra, and edges with four equivalent N(1)Sr5Cu octahedra. The corner-sharing octahedral tilt angles range from 2-61°. is represented by the CIF file [CIF]
data_Sr8In4Cu3N5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.553
_cell_length_b   11.553
_cell_length_c   11.553
_cell_angle_alpha   160.768
_cell_angle_beta   114.687
_cell_angle_gamma   68.786
_symmetry_Int_Tables_number   1
_cell_volume   458.813
_cell_formula_units_Z   1
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  0.563  0.711  0.852  1.0
  Sr  Sr1  1  0.749  0.902  0.848  1.0
  Sr  Sr2  1  0.437  0.289  0.148  1.0
  Sr  Sr3  1  0.859  0.711  0.148  1.0
  Sr  Sr4  1  0.141  0.289  0.852  1.0
  Sr  Sr5  1  0.251  0.098  0.152  1.0
  Sr  Sr6  1  0.054  0.902  0.152  1.0
  Sr  Sr7  1  0.946  0.098  0.848  1.0
  In  In8  1  0.648  0.500  0.148  1.0
  In  In9  1  0.352  0.500  0.852  1.0
  In  In10  1  0.416  0.916  0.500  1.0
  In  In11  1  0.584  0.084  0.500  1.0
  Cu  Cu12  1  0.192  0.692  0.500  1.0
  Cu  Cu13  1  0.808  0.308  0.500  1.0
  Cu  Cu14  1  0.000  0.500  0.500  1.0
  N  N15  1  0.346  0.694  0.651  1.0
  N  N16  1  0.957  0.306  0.651  1.0
  N  N17  1  0.043  0.694  0.349  1.0
  N  N18  1  0.000  0.000  0.000  1.0
  N  N19  1  0.654  0.306  0.349  1.0
[/CIF]
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