data_Sn2N2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.46
_cell_length_b   14.46
_cell_length_c   14.46
_cell_angle_alpha   154.23
_cell_angle_beta   154.23
_cell_angle_gamma   36.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2N2O
_chemical_formula_sum   'Sn16 N16 O8'
_cell_volume   571.23
_cell_formula_units_Z   8
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
  Sn  Sn0  1  0.0  0.84  0.43  1.0
  Sn  Sn1  1  0.0  0.61  0.43  1.0
  Sn  Sn2  1  0.39  0.23  0.29  1.0
  Sn  Sn3  1  0.62  0.23  0.18  1.0
  Sn  Sn4  1  0.23  0.0  0.23  1.0
  Sn  Sn5  1  0.0  0.0  0.09  1.0
  Sn  Sn6  1  0.23  0.62  0.82  1.0
  Sn  Sn7  1  0.0  0.61  0.55  1.0
  Sn  Sn8  1  0.61  0.0  0.9  1.0
  Sn  Sn9  1  0.61  0.23  0.29  1.0
  Sn  Sn10  1  0.62  0.0  0.69  1.0
  Sn  Sn11  1  0.23  0.61  0.04  1.0
  Sn  Sn12  1  0.23  0.39  0.04  1.0
  Sn  Sn13  1  0.23  0.0  0.5  1.0
  Sn  Sn14  1  0.0  0.0  0.36  1.0
  Sn  Sn15  1  0.83  0.0  0.69  1.0
  N  N16  1  0.51  0.23  0.39  1.0
  N  N17  1  0.72  0.23  0.98  1.0
  N  N18  1  0.0  0.72  0.34  1.0
  N  N19  1  0.23  0.51  0.61  1.0
  N  N20  1  0.23  0.72  0.02  1.0
  N  N21  1  0.0  0.5  0.75  1.0
  N  N22  1  0.5  0.0  0.71  1.0
  N  N23  1  0.51  0.0  0.47  1.0
  N  N24  1  0.72  0.0  0.12  1.0
  N  N25  1  0.72  0.0  0.88  1.0
  N  N26  1  0.0  0.72  0.57  1.0
  N  N27  1  0.23  0.5  0.84  1.0
  N  N28  1  0.23  0.72  0.25  1.0
  N  N29  1  0.23  0.28  0.25  1.0
  N  N30  1  0.5  0.23  0.16  1.0
  N  N31  1  0.94  0.0  0.47  1.0
  O  O32  1  0.62  0.23  0.4  1.0
  O  O33  1  0.0  0.07  0.54  1.0
  O  O34  1  0.0  0.38  0.54  1.0
  O  O35  1  0.38  0.23  0.4  1.0
  O  O36  1  0.85  0.23  0.19  1.0
  O  O37  1  0.0  0.85  0.32  1.0
  O  O38  1  0.0  0.6  0.32  1.0
  O  O39  1  0.15  0.23  0.19  1.0

data_Sn2N2O
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.45
_cell_length_b   6.45
_cell_length_c   14.46
_cell_angle_alpha   102.88
_cell_angle_beta   102.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2N2O
_chemical_formula_sum   'Sn16 N16 O8'
_cell_volume   571.23
_cell_formula_units_Z   8
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
  Sn  Sn0  1  0.07  0.68  0.46  1.0
  Sn  Sn1  1  0.07  0.91  0.68  1.0
  Sn  Sn2  1  0.09  0.09  0.09  1.0
  Sn  Sn3  1  0.2  0.6  0.98  1.0
  Sn  Sn4  1  0.23  1.0  1.0  1.0
  Sn  Sn5  1  0.36  0.36  0.36  1.0
  Sn  Sn6  1  0.43  0.81  0.21  1.0
  Sn  Sn7  1  0.5  0.28  0.28  1.0
  Sn  Sn8  1  0.59  0.43  0.59  1.0
  Sn  Sn9  1  0.65  0.81  0.42  1.0
  Sn  Sn10  1  0.69  0.07  0.07  1.0
  Sn  Sn11  1  0.69  0.86  0.86  1.0
  Sn  Sn12  1  0.82  0.43  0.82  1.0
  Sn  Sn13  1  0.9  0.3  0.3  1.0
  Sn  Sn14  1  0.94  0.55  0.94  1.0
  Sn  Sn15  1  0.95  0.56  0.33  1.0
  N  N16  1  0.1  0.38  0.87  1.0
  N  N17  1  0.12  0.4  0.4  1.0
  N  N18  1  0.17  0.88  0.66  1.0
  N  N19  1  0.24  0.75  0.24  1.0
  N  N20  1  0.3  0.8  0.07  1.0
  N  N21  1  0.34  0.62  0.11  1.0
  N  N22  1  0.47  0.96  0.96  1.0
  N  N23  1  0.47  0.53  0.53  1.0
  N  N24  1  0.54  0.03  0.31  1.0
  N  N25  1  0.62  0.34  0.62  1.0
  N  N26  1  0.71  0.2  0.2  1.0
  N  N27  1  0.75  0.26  0.03  1.0
  N  N28  1  0.85  0.57  0.85  1.0
  N  N29  1  0.88  0.16  0.16  1.0
  N  N30  1  0.93  0.65  0.43  1.0
  N  N31  1  0.97  0.03  0.74  1.0
  O  O32  1  0.16  0.54  0.16  1.0
  O  O33  1  0.18  0.78  0.55  1.0
  O  O34  1  0.18  0.02  0.8  1.0
  O  O35  1  0.46  0.54  0.46  1.0
  O  O36  1  0.48  0.32  0.48  1.0
  O  O37  1  0.72  0.32  0.72  1.0
  O  O38  1  0.96  0.04  0.81  1.0
  O  O39  1  0.96  0.34  0.11  1.0

Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn N N N N N N N N N N N N N N N N O O O O O O O O
Sn2N2O crystallizes in the triclinic P1 space group. There are sixteen inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 3-coordinate geometry to one N(1,3); one N(16); and one O(6) atom. The Sn(1)-N(1,3) bond length is 0.80 Å. The Sn(1)-N(16) bond length is 1.33 Å. The Sn(1)-O(6) bond length is 1.68 Å. In the second Sn site, Sn(2) is bonded in a 3-coordinate geometry to one N(11), one N(4), and one O(7) atom. The Sn(2)-N(11) bond length is 0.89 Å. The Sn(2)-N(4) bond length is 1.86 Å. The Sn(2)-O(7) bond length is 1.41 Å. In the third Sn site, Sn(3) is bonded in a 3-coordinate geometry to one N(1,3); one N(14); and one O(4) atom. The Sn(3)-N(1,3) bond length is 0.80 Å. The Sn(3)-N(14) bond length is 1.33 Å. The Sn(3)-O(4) bond length is 1.68 Å. In the fourth Sn site, Sn(4) is bonded in a 2-coordinate geometry to one Sn(9), one N(15), and one N(9) atom. The Sn(4)-Sn(9) bond length is 1.65 Å. The Sn(4)-N(15) bond length is 1.43 Å. The Sn(4)-N(9) bond length is 1.78 Å. In the fifth Sn site, Sn(5) is bonded in a distorted L-shaped geometry to one N(5) and one N(8) atom. The Sn(5)-N(5) bond length is 1.88 Å. The Sn(5)-N(8) bond length is 1.79 Å. In the sixth Sn site, Sn(6) is bonded in a 2-coordinate geometry to one N(10), one N(5), and one O(5) atom. The Sn(6)-N(10) bond length is 1.88 Å. The Sn(6)-N(5) bond length is 2.33 Å. The Sn(6)-O(5) bond length is 1.81 Å. In the seventh Sn site, Sn(7) is bonded in a 4-coordinate geometry to one Sn(8), one N(12), one N(4), and one N(5) atom. The Sn(7)-Sn(8) bond length is 1.65 Å. The Sn(7)-N(12) bond length is 1.91 Å. The Sn(7)-N(4) bond length is 1.82 Å. The Sn(7)-N(5) bond length is 1.65 Å. In the eighth Sn site, Sn(8) is bonded in a 3-coordinate geometry to one Sn(7), one N(11), and one N(4) atom. The Sn(8)-N(11) bond length is 1.43 Å. The Sn(8)-N(4) bond length is 1.78 Å. In the ninth Sn site, Sn(9) is bonded in a 4-coordinate geometry to one Sn(4), one N(10), one N(7), and one N(9) atom. The Sn(9)-N(10) bond length is 1.91 Å. The Sn(9)-N(7) bond length is 1.65 Å. The Sn(9)-N(9) bond length is 1.82 Å. In the tenth Sn site, Sn(10) is bonded in a 3-coordinate geometry to one N(15), one N(9), and one O(1) atom. The Sn(10)-N(15) bond length is 0.89 Å. The Sn(10)-N(9) bond length is 1.86 Å. The Sn(10)-O(1) bond length is 1.41 Å. In the eleventh Sn site, Sn(11) is bonded in a distorted rectangular see-saw-like geometry to one N(10), one N(2), one N(7), and one N(8) atom. The Sn(11)-N(10) bond length is 1.65 Å. The Sn(11)-N(2) bond length is 1.53 Å. The Sn(11)-N(7) bond length is 1.91 Å. The Sn(11)-N(8) bond length is 1.82 Å. In the twelfth Sn site, Sn(12) is bonded in a distorted rectangular see-saw-like geometry to one N(12), one N(13), one N(5), and one N(6) atom. The Sn(12)-N(12) bond length is 1.65 Å. The Sn(12)-N(13) bond length is 1.82 Å. The Sn(12)-N(5) bond length is 1.91 Å. The Sn(12)-N(6) bond length is 1.53 Å. In the thirteenth Sn site, Sn(13) is bonded in a distorted trigonal planar geometry to one N(13), one N(15), and one O(2) atom. The Sn(13)-N(13) bond length is 2.30 Å. The Sn(13)-N(15) bond length is 2.11 Å. The Sn(13)-O(2) bond length is 2.40 Å. In the fourteenth Sn site, Sn(14) is bonded in a distorted L-shaped geometry to one N(13) and one N(7) atom. The Sn(14)-N(13) bond length is 1.79 Å. The Sn(14)-N(7) bond length is 1.88 Å. In the fifteenth Sn site, Sn(15) is bonded in a 3-coordinate geometry to one N(9), one O(2), and one O(6) atom. The Sn(15)-N(9) bond length is 1.79 Å. The Sn(15)-O(2) bond length is 1.62 Å. The Sn(15)-O(6) bond length is 1.69 Å. In the sixteenth Sn site, Sn(16) is bonded in a distorted trigonal planar geometry to one N(11), one N(8), and one O(8) atom. The Sn(16)-N(11) bond length is 2.11 Å. The Sn(16)-N(8) bond length is 2.30 Å. The Sn(16)-O(8) bond length is 2.40 Å. There are fifteen inequivalent N sites. In the first N site, N(1,3) is bonded in a distorted single-bond geometry to one Sn(3) and one O(1) atom. The N(1,3)-O(1) bond length is 1.50 Å. In the second N site, N(2) is bonded in a distorted water-like geometry to one Sn(11) and one O(5) atom. The N(2)-O(5) bond length is 1.59 Å. In the third N site, N(4) is bonded in a distorted trigonal non-coplanar geometry to one Sn(2), one Sn(7), and one Sn(8) atom. In the fourth N site, N(5) is bonded in a 5-coordinate geometry to one Sn(12), one Sn(5), one Sn(6), one Sn(7), and one N(12) atom. The N(5)-N(12) bond length is 1.39 Å. In the fifth N site, N(6) is bonded in a water-like geometry to one Sn(12) and one O(3) atom. The N(6)-O(3) bond length is 1.59 Å. In the sixth N site, N(7) is bonded in a distorted rectangular see-saw-like geometry to one Sn(11), one Sn(14), one Sn(9), and one N(10) atom. The N(7)-N(10) bond length is 1.39 Å. In the seventh N site, N(8) is bonded in a distorted T-shaped geometry to one Sn(11), one Sn(16), and one Sn(5) atom. In the eighth N site, N(9) is bonded in a distorted tetrahedral geometry to one Sn(10), one Sn(15), one Sn(4), and one Sn(9) atom. In the ninth N site, N(10) is bonded in a 5-coordinate geometry to one Sn(11), one Sn(6), one Sn(9), one N(7), and one O(5) atom. The N(10)-O(5) bond length is 1.60 Å. In the tenth N site, N(11) is bonded in a 3-coordinate geometry to one Sn(16), one Sn(2), and one Sn(8) atom. In the eleventh N site, N(12) is bonded in a 4-coordinate geometry to one Sn(12), one Sn(7), one N(5), and one O(3) atom. The N(12)-O(3) bond length is 1.60 Å. In the twelfth N site, N(13) is bonded in a 3-coordinate geometry to one Sn(12), one Sn(13), and one Sn(14) atom. In the thirteenth N site, N(14) is bonded in a 3-coordinate geometry to one Sn(3), one O(4), and one O(8) atom. The N(14)-O(4) bond length is 1.39 Å. The N(14)-O(8) bond length is 0.96 Å. In the fourteenth N site, N(15) is bonded in a 3-coordinate geometry to one Sn(10), one Sn(13), and one Sn(4) atom. In the fifteenth N site, N(16) is bonded in a 3-coordinate geometry to one Sn(1), one O(2), and one O(6) atom. The N(16)-O(2) bond length is 0.96 Å. The N(16)-O(6) bond length is 1.39 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Sn(10) and one N(1,3) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Sn(13), one Sn(15), and one N(16) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one N(12), one N(6), and one O(5) atom. The O(3)-O(5) bond length is 1.72 Å. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Sn(3), one N(14), and one O(8) atom. The O(4)-O(8) bond length is 1.43 Å. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Sn(6), one N(10), one N(2), and one O(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Sn(1), one Sn(15), and one N(16) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Sn(2) and one N(1,3) atom. The O(7)-N(1,3) bond length is 1.50 Å. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Sn(16), one N(14), and one O(4) atom.