data_1001780
_chemical_name_systematic          'Disilicon dinitride oxide'
_chemical_name_mineral             'Sinoite'
_chemical_compound_source          'synthetic'
_chemical_formula_structural       'Si2 N2 O'
_chemical_formula_sum              'N2 O Si2'
_publ_section_title
;
Modifications structurales de l'oxynitrure de silicium sous contraintes
thermiques
;
loop_
_publ_author_name
  'Billy, M'
  'Labbe, J C'
  'Selvaraj, A'
  'Roult, G'
_journal_name_full                 'Materials Research Bulletin'
_journal_coden_ASTM                MRBUAC
_journal_volume                    15
_journal_year                      1980
_journal_page_first                1207
_journal_page_last                 1213
_cell_length_a                     8.869(2)
_cell_length_b                     5.493(1)
_cell_length_c                     4.849(1)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       236.2
_cell_formula_units_Z              4
_exptl_crystal_density_meas        2.77
_symmetry_space_group_name_H-M     'C m c 21'
_symmetry_Int_Tables_number        36
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,y,z'
  '-x,-y,1/2+z'
  'x,-y,1/2+z'
  '1/2+x,1/2+y,z'
  '1/2-x,1/2+y,z'
  '1/2-x,1/2-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Si4+   4.000
  O2-   -2.000
  N3-   -3.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Si1   Si4+   8 b 0.1808(5) 0.153(1) 0.269(2) 1.  0 d
  O1    O2-    4 a 0. 0.2125(9) 0.23 1.  0 d
  N1    N3-    8 b 0.2177(2) 0.1264(5) 0.624(1) 1.  0 d
_refine_ls_R_factor_all            0.08