data_Si2N2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45
_cell_length_b   5.45
_cell_length_c   13.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2N2O
_chemical_formula_sum   'Si16 N16 O8'
_cell_volume   343.42
_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
  Si  Si24  1  0.0  0.0  0.0  1.0
  Si  Si25  1  0.72  0.57  0.76  1.0
  Si  Si26  1  0.65  0.92  0.15  1.0
  Si  Si27  1  0.35  0.92  0.15  1.0
  Si  Si28  1  0.0  0.59  0.15  1.0
  Si  Si29  1  0.0  0.15  0.95  1.0
  Si  Si30  1  0.0  0.0  0.4  1.0
  Si  Si31  1  0.64  0.36  0.68  1.0
  Si  Si32  1  0.72  0.0  0.68  1.0
  Si  Si33  1  0.36  0.36  0.68  1.0
  Si  Si34  1  0.0  0.0  0.96  1.0
  Si  Si35  1  0.72  0.57  0.42  1.0
  Si  Si36  1  0.72  0.13  0.21  1.0
  Si  Si37  1  0.38  0.79  0.21  1.0
  Si  Si38  1  0.07  0.79  0.21  1.0
  Si  Si39  1  0.0  0.15  0.6  1.0
  N  N0  1  0.0  0.15  0.2  1.0
  N  N1  1  0.72  0.23  0.2  1.0
  N  N2  1  0.28  0.74  0.2  1.0
  N  N3  1  0.16  0.74  0.2  1.0
  N  N4  1  0.0  0.0  0.14  1.0
  N  N5  1  0.29  0.89  0.8  1.0
  N  N6  1  0.0  0.66  0.8  1.0
  N  N7  1  0.71  0.89  0.8  1.0
  N  N8  1  0.01  0.83  0.56  1.0
  N  N9  1  0.72  0.06  0.56  1.0
  N  N10  1  0.44  0.83  0.56  1.0
  N  N11  1  0.0  0.0  0.22  1.0
  N  N12  1  0.56  0.98  0.17  1.0
  N  N13  1  0.44  0.98  0.17  1.0
  N  N14  1  0.0  0.48  0.17  1.0
  N  N15  1  0.72  0.57  0.16  1.0
  O  O16  1  0.8  0.45  0.12  1.0
  O  O17  1  0.0  0.53  0.12  1.0
  O  O18  1  0.2  0.45  0.12  1.0
  O  O19  1  0.72  0.57  0.54  1.0
  O  O20  1  0.0  0.15  0.82  1.0
  O  O21  1  0.53  0.26  0.25  1.0
  O  O22  1  0.72  0.19  0.25  1.0
  O  O23  1  0.92  0.26  0.25  1.0

data_Si2N2O
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.45
_cell_length_b   5.45
_cell_length_c   13.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2N2O
_chemical_formula_sum   'Si16 N16 O8'
_cell_volume   343.42
_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
  Si  Si0  1  0.0  0.0  0.0  1.0
  Si  Si1  1  0.0  0.0  0.4  1.0
  Si  Si2  1  0.0  0.0  0.96  1.0
  Si  Si3  1  0.0  0.15  0.6  1.0
  Si  Si4  1  0.0  0.15  0.95  1.0
  Si  Si5  1  0.0  0.59  0.15  1.0
  Si  Si6  1  0.07  0.79  0.21  1.0
  Si  Si7  1  0.35  0.92  0.15  1.0
  Si  Si8  1  0.36  0.36  0.68  1.0
  Si  Si9  1  0.38  0.79  0.21  1.0
  Si  Si10  1  0.64  0.36  0.68  1.0
  Si  Si11  1  0.65  0.92  0.15  1.0
  Si  Si12  1  0.72  0.0  0.68  1.0
  Si  Si13  1  0.72  0.13  0.21  1.0
  Si  Si14  1  0.72  0.57  0.42  1.0
  Si  Si15  1  0.72  0.57  0.76  1.0
  N  N16  1  0.0  0.0  0.14  1.0
  N  N17  1  0.0  0.0  0.22  1.0
  N  N18  1  0.0  0.15  0.2  1.0
  N  N19  1  0.0  0.48  0.17  1.0
  N  N20  1  0.0  0.66  0.8  1.0
  N  N21  1  0.01  0.83  0.56  1.0
  N  N22  1  0.16  0.74  0.2  1.0
  N  N23  1  0.28  0.74  0.2  1.0
  N  N24  1  0.29  0.89  0.8  1.0
  N  N25  1  0.44  0.83  0.56  1.0
  N  N26  1  0.44  0.98  0.17  1.0
  N  N27  1  0.56  0.98  0.17  1.0
  N  N28  1  0.71  0.89  0.8  1.0
  N  N29  1  0.72  0.06  0.56  1.0
  N  N30  1  0.72  0.23  0.2  1.0
  N  N31  1  0.72  0.57  0.16  1.0
  O  O32  1  0.0  0.15  0.82  1.0
  O  O33  1  0.0  0.53  0.12  1.0
  O  O34  1  0.2  0.45  0.12  1.0
  O  O35  1  0.53  0.26  0.25  1.0
  O  O36  1  0.72  0.19  0.25  1.0
  O  O37  1  0.72  0.57  0.54  1.0
  O  O38  1  0.8  0.45  0.12  1.0
  O  O39  1  0.92  0.26  0.25  1.0

Si Si Si Si Si Si Si Si Si Si Si Si Si Si Si Si N N N N N N N N N N N N N N N N O O O O O O O O
Si2N2O crystallizes in the triclinic P1 space group. There are sixteen inequivalent Si sites. In the first Si site, Si(1) is bonded in a distorted linear geometry to one Si(11) and one N(5) atom. The Si(1)-Si(11) bond length is 0.51 Å. The Si(1)-N(5) bond length is 1.90 Å. In the second Si site, Si(2) is bonded in a 2-coordinate geometry to one Si(10), one Si(8), one N(7), and one N(8) atom. The Si(2)-Si(10) bond length is 2.03 Å. The Si(2)-Si(8) bond length is 1.49 Å. The Si(2)-N(7) bond length is 1.43 Å. The Si(2)-N(8) bond length is 1.82 Å. In the third Si site, Si(3) is bonded in a single-bond geometry to one N(1), one N(13), one N(16), and one N(5) atom. The Si(3)-N(1) bond length is 1.81 Å. The Si(3)-N(13) bond length is 0.72 Å. The Si(3)-N(16) bond length is 2.14 Å. The Si(3)-N(5) bond length is 1.73 Å. In the fourth Si site, Si(4) is bonded in a distorted single-bond geometry to one N(14), one N(4), and one N(5) atom. The Si(4)-N(14) bond length is 0.49 Å. The Si(4)-N(4) bond length is 1.18 Å. The Si(4)-N(5) bond length is 2.14 Å. In the fifth Si site, Si(5) is bonded in a 2-coordinate geometry to one N(15), one N(16), one N(4), one O(1), and one O(2) atom. The Si(5)-N(15) bond length is 0.61 Å. The Si(5)-N(16) bond length is 1.47 Å. The Si(5)-N(4) bond length is 1.07 Å. The Si(5)-O(1) bond length is 1.05 Å. The Si(5)-O(2) bond length is 0.57 Å. In the sixth Si site, Si(6) is bonded in a distorted water-like geometry to one Si(11) and one O(5) atom. The Si(6)-Si(11) bond length is 0.82 Å. The Si(6)-O(5) bond length is 1.68 Å. In the seventh Si site, Si(7) is bonded in a 3-coordinate geometry to one Si(12), one N(12), and one N(9) atom. The Si(7)-Si(12) bond length is 2.06 Å. The Si(7)-N(12) bond length is 2.40 Å. The Si(7)-N(9) bond length is 2.34 Å. In the eighth Si site, Si(8) is bonded in a 3-coordinate geometry to one Si(10), one Si(2), and one O(4) atom. The Si(8)-Si(10) bond length is 1.50 Å. The Si(8)-O(4) bond length is 2.12 Å. In the ninth Si site, Si(9) is bonded in a distorted linear geometry to one N(10), one N(11), and one N(8) atom. The Si(9)-N(10) bond length is 1.64 Å. The Si(9)-N(11) bond length is 2.11 Å. The Si(9)-N(8) bond length is 1.71 Å. In the tenth Si site, Si(10) is bonded in a 5-coordinate geometry to one Si(16), one Si(2), one Si(8), one O(4), and one O(5) atom. The Si(10)-Si(16) bond length is 2.03 Å. The Si(10)-O(4) bond length is 2.53 Å. The Si(10)-O(5) bond length is 2.53 Å. In the eleventh Si site, Si(11) is bonded in a distorted water-like geometry to one Si(1) and one Si(6) atom. In the twelfth Si site, Si(12) is bonded in a single-bond geometry to one Si(7) and one O(4) atom. The Si(12)-O(4) bond length is 1.68 Å. In the thirteenth Si site, Si(13) is bonded in a 2-coordinate geometry to one N(1), one N(13), one N(2), one O(7), and one O(8) atom. The Si(13)-N(1) bond length is 1.47 Å. The Si(13)-N(13) bond length is 1.07 Å. The Si(13)-N(2) bond length is 0.61 Å. The Si(13)-O(7) bond length is 0.57 Å. The Si(13)-O(8) bond length is 1.05 Å. In the fourteenth Si site, Si(14) is bonded in a distorted single-bond geometry to one N(13) and one N(3) atom. The Si(14)-N(13) bond length is 1.18 Å. The Si(14)-N(3) bond length is 0.49 Å. In the fifteenth Si site, Si(15) is bonded in a distorted single-bond geometry to one N(12), one N(16), one N(4), and one N(5) atom. The Si(15)-N(12) bond length is 1.36 Å. The Si(15)-N(16) bond length is 1.81 Å. The Si(15)-N(4) bond length is 0.72 Å. The Si(15)-N(5) bond length is 1.66 Å. In the sixteenth Si site, Si(16) is bonded in a distorted L-shaped geometry to one Si(10), one N(10), and one N(9) atom. The Si(16)-N(10) bond length is 1.43 Å. The Si(16)-N(9) bond length is 1.82 Å. There are sixteen inequivalent N sites. In the first N site, N(1) is bonded in a 6-coordinate geometry to one Si(13), one Si(3), one N(12), one N(5), one O(3), and one O(8) atom. The N(1)-N(12) bond length is 0.82 Å. The N(1)-N(5) bond length is 1.14 Å. The N(1)-O(3) bond length is 1.89 Å. The N(1)-O(8) bond length is 1.11 Å. In the second N site, N(2) is bonded in a distorted single-bond geometry to one Si(13), one O(1), one O(6), one O(7), and one O(8) atom. The N(2)-O(1) bond length is 1.51 Å. The N(2)-O(6) bond length is 1.34 Å. The N(2)-O(7) bond length is 0.72 Å. The N(2)-O(8) bond length is 1.21 Å. In the third N site, N(3) is bonded in a distorted single-bond geometry to one Si(14), one N(4), and one O(3) atom. The N(3)-N(4) bond length is 0.67 Å. The N(3)-O(3) bond length is 1.76 Å. In the fourth N site, N(4) is bonded in a 4-coordinate geometry to one Si(15), one Si(4), one Si(5), and one N(3) atom. In the fifth N site, N(5) is bonded in a 6-coordinate geometry to one Si(1), one Si(15), one Si(3), one Si(4), one N(1), and one N(12) atom. The N(5)-N(12) bond length is 1.06 Å. In the sixth N site, N(6) is bonded in a single-bond geometry to one N(7) atom. The N(6)-N(7) bond length is 1.43 Å. In the seventh N site, N(7) is bonded in a distorted single-bond geometry to one Si(2) and one N(6) atom. In the eighth N site, N(8) is bonded in a distorted T-shaped geometry to one Si(2), one Si(9), and one O(5) atom. The N(8)-O(5) bond length is 1.51 Å. In the ninth N site, N(9) is bonded in a 3-coordinate geometry to one Si(16), one Si(7), and one O(4) atom. The N(9)-O(4) bond length is 1.51 Å. In the tenth N site, N(10) is bonded in a 2-coordinate geometry to one Si(16), one Si(9), and one N(11) atom. The N(10)-N(11) bond length is 1.43 Å. In the eleventh N site, N(11) is bonded in a 2-coordinate geometry to one Si(9) and one N(10) atom. In the twelfth N site, N(12) is bonded in a 3-coordinate geometry to one Si(15), one Si(7), one N(1), and one N(5) atom. In the thirteenth N site, N(13) is bonded in a 4-coordinate geometry to one Si(13), one Si(14), one Si(3), and one N(14) atom. The N(13)-N(14) bond length is 0.67 Å. In the fourteenth N site, N(14) is bonded in a distorted single-bond geometry to one Si(4), one N(13), and one O(6) atom. The N(14)-O(6) bond length is 1.76 Å. In the fifteenth N site, N(15) is bonded in a distorted single-bond geometry to one Si(5), one O(1), one O(2), one O(3), and one O(8) atom. The N(15)-O(1) bond length is 1.21 Å. The N(15)-O(2) bond length is 0.72 Å. The N(15)-O(3) bond length is 1.34 Å. The N(15)-O(8) bond length is 1.51 Å. In the sixteenth N site, N(16) is bonded in a 5-coordinate geometry to one Si(15), one Si(3), one Si(5), one O(1), and one O(6) atom. The N(16)-O(1) bond length is 1.11 Å. The N(16)-O(6) bond length is 1.89 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Si(5), one N(15), one N(16), one N(2), and one O(2) atom. The O(1)-O(2) bond length is 0.94 Å. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Si(5), one N(15), one O(1), and one O(3) atom. The O(2)-O(3) bond length is 1.31 Å. In the third O site, O(3) is bonded in a 4-coordinate geometry to one N(1), one N(15), one N(3), and one O(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Si(10), one Si(12), one Si(8), and one N(9) atom. In the fifth O site, O(5) is bonded in a distorted water-like geometry to one Si(10), one Si(6), and one N(8) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one N(14), one N(16), one N(2), and one O(7) atom. The O(6)-O(7) bond length is 1.31 Å. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Si(13), one N(2), one O(6), and one O(8) atom. The O(7)-O(8) bond length is 0.94 Å. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Si(13), one N(1), one N(15), one N(2), and one O(7) atom.