The compound described by Sr3C3N5 crystallizes in the triclinic P-1 space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to two equivalent C(1), one N(1), one N(2), two equivalent N(3), and two equivalent N(4) atoms. In the second Sr site, Sr(2) is bonded in a 7-coordinate geometry to two equivalent C(1), one N(1), one N(3), one N(4), and two equivalent N(5) atoms. In the third Sr site, Sr(3) is bonded in a 6-coordinate geometry to one N(1), one N(2), one N(3), one N(4), and two equivalent N(5) atoms. There are three inequivalent C sites. In the first C site, C(1) is bonded in a distorted L-shaped geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent N(3) atoms. In the second C site, C(2) is bonded in a 3-coordinate geometry to one N(1), one N(2), and one N(4) atom. In the third C site, C(3) is bonded in a 3-coordinate geometry to one N(1), one N(2), and one N(5) atom. There are five inequivalent N sites. In the first N site, N(1) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one C(2), and one C(3) atom. In the second N site, N(2) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(3), one C(2), and one C(3) atom. In the third N site, N(3) is bonded in a 2-coordinate geometry to one Sr(2), one Sr(3), two equivalent Sr(1), and two equivalent C(1) atoms. In the fourth N site, N(4) is bonded in a 5-coordinate geometry to one Sr(2), one Sr(3), two equivalent Sr(1), and one C(2) atom. In the fifth N site, N(5) is bonded in a 5-coordinate geometry to two equivalent Sr(2), two equivalent Sr(3), and one C(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3C3N5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.755
_cell_length_b   5.988
_cell_length_c   10.703
_cell_angle_alpha   95.408
_cell_angle_beta   137.034
_cell_angle_gamma   93.541
_symmetry_Int_Tables_number   1
_cell_volume   330.888
_cell_formula_units_Z   2
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  0.756  0.322  0.671  1.0
  Sr  Sr1  1  0.244  0.678  0.329  1.0
  Sr  Sr2  1  0.705  0.919  0.924  1.0
  Sr  Sr3  1  0.295  0.081  0.076  1.0
  Sr  Sr4  1  0.648  0.657  0.227  1.0
  Sr  Sr5  1  0.352  0.343  0.773  1.0
  C  C6  1  0.986  0.339  0.018  1.0
  C  C7  1  0.014  0.661  0.982  1.0
  C  C8  1  0.796  0.904  0.541  1.0
  C  C9  1  0.204  0.096  0.459  1.0
  C  C10  1  0.109  0.795  0.745  1.0
  C  C11  1  0.891  0.205  0.255  1.0
  N  N12  1  0.042  0.023  0.722  1.0
  N  N13  1  0.958  0.977  0.278  1.0
  N  N14  1  0.855  0.678  0.565  1.0
  N  N15  1  0.145  0.322  0.435  1.0
  N  N16  1  0.829  0.511  0.954  1.0
  N  N17  1  0.171  0.489  0.046  1.0
  N  N18  1  0.405  0.024  0.600  1.0
  N  N19  1  0.595  0.976  0.400  1.0
  N  N20  1  0.322  0.730  0.876  1.0
  N  N21  1  0.678  0.270  0.124  1.0
[/CIF]
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The compound described by Sr3C3N5 crystallizes in the triclinic P-1 space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to two equivalent C(1), one N(1), one N(2), two equivalent N(3), and two equivalent N(4) atoms. In the second Sr site, Sr(2) is bonded in a 7-coordinate geometry to two equivalent C(1), one N(1), one N(3), one N(4), and two equivalent N(5) atoms. In the third Sr site, Sr(3) is bonded in a 6-coordinate geometry to one N(1), one N(2), one N(3), one N(4), and two equivalent N(5) atoms. There are three inequivalent C sites. In the first C site, C(1) is bonded in a distorted L-shaped geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent N(3) atoms. In the second C site, C(2) is bonded in a 3-coordinate geometry to one N(1), one N(2), and one N(4) atom. In the third C site, C(3) is bonded in a 3-coordinate geometry to one N(1), one N(2), and one N(5) atom. There are five inequivalent N sites. In the first N site, N(1) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one C(2), and one C(3) atom. In the second N site, N(2) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(3), one C(2), and one C(3) atom. In the third N site, N(3) is bonded in a 2-coordinate geometry to one Sr(2), one Sr(3), two equivalent Sr(1), and two equivalent C(1) atoms. In the fourth N site, N(4) is bonded in a 5-coordinate geometry to one Sr(2), one Sr(3), two equivalent Sr(1), and one C(2) atom. In the fifth N site, N(5) is bonded in a 5-coordinate geometry to two equivalent Sr(2), two equivalent Sr(3), and one C(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3C3N5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.755
_cell_length_b   5.988
_cell_length_c   10.703
_cell_angle_alpha   95.408
_cell_angle_beta   137.034
_cell_angle_gamma   93.541
_symmetry_Int_Tables_number   1
_cell_volume   330.888
_cell_formula_units_Z   2
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  0.756  0.322  0.671  1.0
  Sr  Sr1  1  0.244  0.678  0.329  1.0
  Sr  Sr2  1  0.705  0.919  0.924  1.0
  Sr  Sr3  1  0.295  0.081  0.076  1.0
  Sr  Sr4  1  0.648  0.657  0.227  1.0
  Sr  Sr5  1  0.352  0.343  0.773  1.0
  C  C6  1  0.986  0.339  0.018  1.0
  C  C7  1  0.014  0.661  0.982  1.0
  C  C8  1  0.796  0.904  0.541  1.0
  C  C9  1  0.204  0.096  0.459  1.0
  C  C10  1  0.109  0.795  0.745  1.0
  C  C11  1  0.891  0.205  0.255  1.0
  N  N12  1  0.042  0.023  0.722  1.0
  N  N13  1  0.958  0.977  0.278  1.0
  N  N14  1  0.855  0.678  0.565  1.0
  N  N15  1  0.145  0.322  0.435  1.0
  N  N16  1  0.829  0.511  0.954  1.0
  N  N17  1  0.171  0.489  0.046  1.0
  N  N18  1  0.405  0.024  0.600  1.0
  N  N19  1  0.595  0.976  0.400  1.0
  N  N20  1  0.322  0.730  0.876  1.0
  N  N21  1  0.678  0.270  0.124  1.0
[/CIF]
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