The crystal structure described by Sr4GaCN5 crystallizes in the monoclinic P2_1/c space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 4-coordinate geometry to one N(1), one N(5), and four equivalent N(4) atoms. In the second Sr site, Sr(2) is bonded in a 5-coordinate geometry to one N(1), one N(2), one N(3), and two equivalent N(5) atoms. In the third Sr site, Sr(3) is bonded in a 6-coordinate geometry to one N(2), one N(4), two equivalent N(1), and two equivalent N(5) atoms. In the fourth Sr site, Sr(4) is bonded in a 8-coordinate geometry to one C(1), one N(5), two equivalent N(1), two equivalent N(2), and two equivalent N(3) atoms. Ga(1) is bonded in a trigonal planar geometry to one N(1), one N(4), and one N(5) atom. C(1) is bonded in a linear geometry to one Sr(4), one N(2), and one N(3) atom. There are five inequivalent N sites. In the first N site, N(5) is bonded in a 7-coordinate geometry to one Sr(1), one Sr(4), two equivalent Sr(2), two equivalent Sr(3), and one Ga(1) atom. In the second N site, N(1) is bonded in a 7-coordinate geometry to one Sr(1), one Sr(2), two equivalent Sr(3), two equivalent Sr(4), and one Ga(1) atom. In the third N site, N(2) is bonded in a distorted single-bond geometry to one Sr(2), one Sr(3), two equivalent Sr(4), and one C(1) atom. In the fourth N site, N(3) is bonded in a 1-coordinate geometry to one Sr(2), two equivalent Sr(4), and one C(1) atom. In the fifth N site, N(4) is bonded to one Sr(3), four equivalent Sr(1), and one Ga(1) atom to form a mixture of corner and edge-sharing NSr5Ga octahedra. The corner-sharing octahedral tilt angles range from 7-10°. is represented by the CIF file [CIF]
data_Sr4GaCN5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.476
_cell_length_b   7.503
_cell_length_c   13.590
_cell_angle_alpha   81.885
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   754.720
_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
  Sr  Sr0  1  0.752  0.994  0.987  1.0
  Sr  Sr1  1  0.845  0.167  0.668  1.0
  Sr  Sr2  1  0.021  0.785  0.819  1.0
  Sr  Sr3  1  0.321  0.015  0.647  1.0
  Sr  Sr4  1  0.179  0.515  0.647  1.0
  Sr  Sr5  1  0.748  0.494  0.987  1.0
  Sr  Sr6  1  0.155  0.833  0.332  1.0
  Sr  Sr7  1  0.248  0.006  0.013  1.0
  Sr  Sr8  1  0.821  0.485  0.353  1.0
  Sr  Sr9  1  0.655  0.667  0.668  1.0
  Sr  Sr10  1  0.479  0.285  0.819  1.0
  Sr  Sr11  1  0.521  0.715  0.181  1.0
  Sr  Sr12  1  0.979  0.215  0.181  1.0
  Sr  Sr13  1  0.345  0.333  0.332  1.0
  Sr  Sr14  1  0.679  0.985  0.353  1.0
  Sr  Sr15  1  0.252  0.506  0.013  1.0
  Ga  Ga16  1  0.514  0.209  0.145  1.0
  Ga  Ga17  1  0.014  0.291  0.855  1.0
  Ga  Ga18  1  0.486  0.791  0.855  1.0
  Ga  Ga19  1  0.986  0.709  0.145  1.0
  C  C20  1  0.552  0.295  0.546  1.0
  C  C21  1  0.448  0.705  0.454  1.0
  C  C22  1  0.948  0.795  0.546  1.0
  C  C23  1  0.052  0.205  0.454  1.0
  N  N24  1  0.655  0.359  0.218  1.0
  N  N25  1  0.503  0.358  0.621  1.0
  N  N26  1  0.106  0.280  0.524  1.0
  N  N27  1  0.894  0.720  0.476  1.0
  N  N28  1  0.497  0.642  0.379  1.0
  N  N29  1  0.996  0.743  0.004  1.0
  N  N30  1  0.504  0.243  0.004  1.0
  N  N31  1  0.004  0.257  0.996  1.0
  N  N32  1  0.606  0.220  0.476  1.0
  N  N33  1  0.643  0.958  0.775  1.0
  N  N34  1  0.345  0.641  0.782  1.0
  N  N35  1  0.845  0.859  0.218  1.0
  N  N36  1  0.997  0.858  0.621  1.0
  N  N37  1  0.143  0.542  0.225  1.0
  N  N38  1  0.155  0.141  0.782  1.0
  N  N39  1  0.357  0.042  0.225  1.0
  N  N40  1  0.496  0.757  0.996  1.0
  N  N41  1  0.394  0.780  0.524  1.0
  N  N42  1  0.003  0.142  0.379  1.0
  N  N43  1  0.857  0.458  0.775  1.0
[/CIF]
.
The crystal structure described by Sr4GaCN5 crystallizes in the monoclinic P2_1/c space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 4-coordinate geometry to one N(1), one N(5), and four equivalent N(4) atoms. In the second Sr site, Sr(2) is bonded in a 5-coordinate geometry to one N(1), one N(2), one N(3), and two equivalent N(5) atoms. In the third Sr site, Sr(3) is bonded in a 6-coordinate geometry to one N(2), one N(4), two equivalent N(1), and two equivalent N(5) atoms. In the fourth Sr site, Sr(4) is bonded in a 8-coordinate geometry to one C(1), one N(5), two equivalent N(1), two equivalent N(2), and two equivalent N(3) atoms. Ga(1) is bonded in a trigonal planar geometry to one N(1), one N(4), and one N(5) atom. C(1) is bonded in a linear geometry to one Sr(4), one N(2), and one N(3) atom. There are five inequivalent N sites. In the first N site, N(5) is bonded in a 7-coordinate geometry to one Sr(1), one Sr(4), two equivalent Sr(2), two equivalent Sr(3), and one Ga(1) atom. In the second N site, N(1) is bonded in a 7-coordinate geometry to one Sr(1), one Sr(2), two equivalent Sr(3), two equivalent Sr(4), and one Ga(1) atom. In the third N site, N(2) is bonded in a distorted single-bond geometry to one Sr(2), one Sr(3), two equivalent Sr(4), and one C(1) atom. In the fourth N site, N(3) is bonded in a 1-coordinate geometry to one Sr(2), two equivalent Sr(4), and one C(1) atom. In the fifth N site, N(4) is bonded to one Sr(3), four equivalent Sr(1), and one Ga(1) atom to form a mixture of corner and edge-sharing NSr5Ga octahedra. The corner-sharing octahedral tilt angles range from 7-10°. is represented by the CIF file [CIF]
data_Sr4GaCN5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.476
_cell_length_b   7.503
_cell_length_c   13.590
_cell_angle_alpha   81.885
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   754.720
_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
  Sr  Sr0  1  0.752  0.994  0.987  1.0
  Sr  Sr1  1  0.845  0.167  0.668  1.0
  Sr  Sr2  1  0.021  0.785  0.819  1.0
  Sr  Sr3  1  0.321  0.015  0.647  1.0
  Sr  Sr4  1  0.179  0.515  0.647  1.0
  Sr  Sr5  1  0.748  0.494  0.987  1.0
  Sr  Sr6  1  0.155  0.833  0.332  1.0
  Sr  Sr7  1  0.248  0.006  0.013  1.0
  Sr  Sr8  1  0.821  0.485  0.353  1.0
  Sr  Sr9  1  0.655  0.667  0.668  1.0
  Sr  Sr10  1  0.479  0.285  0.819  1.0
  Sr  Sr11  1  0.521  0.715  0.181  1.0
  Sr  Sr12  1  0.979  0.215  0.181  1.0
  Sr  Sr13  1  0.345  0.333  0.332  1.0
  Sr  Sr14  1  0.679  0.985  0.353  1.0
  Sr  Sr15  1  0.252  0.506  0.013  1.0
  Ga  Ga16  1  0.514  0.209  0.145  1.0
  Ga  Ga17  1  0.014  0.291  0.855  1.0
  Ga  Ga18  1  0.486  0.791  0.855  1.0
  Ga  Ga19  1  0.986  0.709  0.145  1.0
  C  C20  1  0.552  0.295  0.546  1.0
  C  C21  1  0.448  0.705  0.454  1.0
  C  C22  1  0.948  0.795  0.546  1.0
  C  C23  1  0.052  0.205  0.454  1.0
  N  N24  1  0.655  0.359  0.218  1.0
  N  N25  1  0.503  0.358  0.621  1.0
  N  N26  1  0.106  0.280  0.524  1.0
  N  N27  1  0.894  0.720  0.476  1.0
  N  N28  1  0.497  0.642  0.379  1.0
  N  N29  1  0.996  0.743  0.004  1.0
  N  N30  1  0.504  0.243  0.004  1.0
  N  N31  1  0.004  0.257  0.996  1.0
  N  N32  1  0.606  0.220  0.476  1.0
  N  N33  1  0.643  0.958  0.775  1.0
  N  N34  1  0.345  0.641  0.782  1.0
  N  N35  1  0.845  0.859  0.218  1.0
  N  N36  1  0.997  0.858  0.621  1.0
  N  N37  1  0.143  0.542  0.225  1.0
  N  N38  1  0.155  0.141  0.782  1.0
  N  N39  1  0.357  0.042  0.225  1.0
  N  N40  1  0.496  0.757  0.996  1.0
  N  N41  1  0.394  0.780  0.524  1.0
  N  N42  1  0.003  0.142  0.379  1.0
  N  N43  1  0.857  0.458  0.775  1.0
[/CIF]
.