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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/34/1533473.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1533473
loop_
_publ_author_name
'Grins, J.'
'Esmaeilzadeh, S.'
'Shen Zhijian'
_publ_section_title
;
 Structures of filled alpha-(Si3N4)-type Ca0.27 La0.03 Si11.38 Al0.62 N16
 and Li Si9 Al3 O2 N14
;
_journal_name_full               'Journal of the American Ceramic Society'
_journal_page_first              727
_journal_page_last               730
_journal_volume                  86
_journal_year                    2003
_chemical_formula_sum            'Al3 Li N14 O2 Si9'
_chemical_name_systematic        'Li (Al3 Si9 N14 O2)'
_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_formula_units_Z            1
_cell_length_a                   7.8277
_cell_length_b                   7.8277
_cell_length_c                   5.6909
_cell_volume                     301.981
_citation_journal_id_ASTM        JACTAW
_cod_data_source_file            Grins_JACTAW_2003_265.cif
_cod_data_source_block           Al3Li1N14O2Si9
_cod_original_cell_volume        301.9812
_cod_original_formula_sum        'Al3 Li1 N14 O2 Si9'
_cod_database_code               1533473
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,z+1/2
-x,-x+y,z+1/2
x-y,-y,z+1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Si2 Si+4 0.1684 0.9162 0.4509 0.75 0.0
N4 N-3 0.6667 0.3333 0.5964 0.875 0.0
Li1 Li+1 0.6667 0.3333 0.2358 0.5 0.0
N2 N-3 0.31909 0.0022 0.7009 0.875 0.0
N3 N-3 0 0 0.4534 0.875 0.0
O3 O-2 0 0 0.4534 0.125 0.0
Al2 Al+3 0.1684 0.9162 0.4509 0.25 0.0
O2 O-2 0.31909 0.0022 0.7009 0.125 0.0
Si1 Si+4 0.51 0.4286 0.6614 0.75 0.0
O1 O-2 0.60658 0.94978 0.4361 0.125 0.0
N1 N-3 0.60658 0.94978 0.4361 0.875 0.0
O4 O-2 0.6667 0.3333 0.5964 0.125 0.0
Al1 Al+3 0.51 0.4286 0.6614 0.25 0.0
