H:
K:
L:
Thickness of slab parallel to HKL plane:
0 Å
10 Å
CIF file
#(C) 2022 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure. All rights reserved. data_6004-ICSD _database_code_ICSD 6004 _audit_creation_date 1980-01-01 _audit_update_record 2017-08-01 _chemical_name_common 'Silicon nitride (2.93/3.99)' _chemical_formula_structural 'Si2.925 N3.99' _chemical_formula_sum 'N3.99 Si2.925' _chemical_name_structure_type α−Si3N4 _exptl_crystal_density_diffrn 3.12 _citation_title 'Re-examination of the crystal structure of alpha-Si3N4' loop_ _citation_id _citation_journal_full _citation_year _citation_journal_volume _citation_page_first _citation_page_last _citation_journal_id_ASTM primary 'Materials Research Bulletin' 1974 9 917 920 MRBUAC loop_ _citation_author_citation_id _citation_author_name primary 'Kohatsu, I.' primary 'McCauley, James W.' _cell_length_a 7.766(10) _cell_length_b 7.766(10) _cell_length_c 5.615(8) _cell_angle_alpha 90. _cell_angle_beta 90. _cell_angle_gamma 120. _cell_volume 293.27 _cell_formula_units_Z 4 _space_group_name_H-M_alt 'P 3 1 c' _space_group_IT_number 159 loop_ _space_group_symop_id _space_group_symop_operation_xyz 1 '-x, -x+y, z+1/2' 2 'x-y, -y, z+1/2' 3 'y, x, z+1/2' 4 '-x+y, -x, z' 5 '-y, x-y, z' 6 'x, y, z' loop_ _atom_type_symbol _atom_type_oxidation_number Si4+ 4 N2- -2.93 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_B_iso_or_equiv _atom_site_occupancy Si1 Si4+ 6 c 0.5130(6) 0.4305(6) 0.658(9) . 0.96(1) Si2 Si4+ 6 c 0.1680(7) 0.9150(6) 0.4504(9) . 0.99(1) N1 N2- 6 c 0.6124(20) 0.9592(20) 0.4343(26) . 1. N2 N2- 6 c 0.3199(18) 0.0046(20) 0.7045(32) . 1. N3 N2- 2 b 0.6666 0.3333 0.6015(36) . 1. N4 N2- 2 a 0 0 0.4520(45) . 0.98(7) loop_ _atom_site_aniso_label _atom_site_aniso_type_symbol _atom_site_aniso_beta_11 _atom_site_aniso_beta_22 _atom_site_aniso_beta_33 _atom_site_aniso_beta_12 _atom_site_aniso_beta_13 _atom_site_aniso_beta_23 Si1 Si4+ 0.0080(11) 0.0058(9) 0.0081(13) 0.0032(80) 0.0014(9) 0.00059(99) Si2 Si4+ 0.008(1) 0.0071(10) 0.0064(12) 0.0038(8) 0.0038(8) -.00047(8) N1 N2- 0.0018(24) 0.0043(27) 0.0241(57) -.0003(21) 0.0028(30) 0.0067(32) N2 N2- 0.0018(24) 0.0016(23) 0.0213(39) -.0013(51) 0.0026(29) 0.0012(28) N3 N2- 0.0024(24) 0.0024(24) 0.0074(73) 0.0012 0 0 N4 N2- 0.0064(31) 0.0064(31) 0.0179(90) 0.0032 0 0 #End of TTdata_6004-ICSD