#------------------------------------------------------------------------------
#$Date: 2024-05-16 08:36:09 +0200 (Thu 16 de May de 2024) $
#$Revision: 291877 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/31/9013139.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9013139
loop_
_publ_author_name
'Yang, P.'
'Fun, H.-K.'
'Rahman, I. A.'
'Saleh, M. I.'
_publ_section_title
;Two phase refinements of the structures of a-Si3N4 and B-Si3N4 made from rice
 husk by Rietveld analysis Locality: synthetic Sample: Alpha phase Note:
 changed N4 location to match reported bond distances
;
_journal_name_full               'Ceramics International'
_journal_page_first              137
_journal_page_last               142
_journal_paper_doi               10.1016/0272-8842(95)95885-L
_journal_volume                  21
_journal_year                    1995
_chemical_compound_source        Synthetic
_chemical_formula_sum            'N4 Si3'
_chemical_name_mineral           Nierite
_space_group_IT_number           159
_symmetry_space_group_name_Hall  'P 3 -2c'
_symmetry_space_group_name_H-M   'P 3 1 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   7.7650
_cell_length_b                   7.7650
_cell_length_c                   5.6275
_cell_formula_units_Z            4
_cell_volume                     293.852
_database_code_amcsd             0012185
_exptl_crystal_density_diffrn    3.171
_cod_original_formula_sum        'Si3 N4'
_cod_database_code               9013139
loop_
_space_group_symop_operation_xyz
x,y,z
x-y,-y,1/2+z
-y,x-y,z
y,x,1/2+z
-x+y,-x,z
-x,-x+y,1/2+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Si1 0.51060 0.08150 0.19040 0.00925
Si2 0.16580 0.25200 -0.01680 0.00684
N1 0.00000 0.00000 -0.02900 0.00329
N2 0.33333 0.66667 0.63400 0.00380
N3 0.34880 -0.03830 -0.02200 0.01013
N4 0.30920 0.35460 0.23000 0.00127
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0012185
