#------------------------------------------------------------------------------
#$Date: 2015-10-09 12:48:56 +0200 (vie 09 de oct de 2015) $
#$Revision: 161692 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/47/1534730.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_1534730
loop_
_publ_author_name
'Grins, J.'
'Esmaeilzadeh, S.'
'Shen Zhijian'
_publ_section_title
;
 Structures of filled alpha-(Si3 N4)-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            'Al0.62 Ca0.27 La0.03 N16 Si11.38'
_chemical_name_systematic        'Ca0.27 La0.03 (Si11.38 Al0.62 N16)'
_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                   7.838
_cell_length_b                   7.838
_cell_length_c                   5.703
_cell_volume                     303.420
_citation_journal_id_ASTM        JACTAW
_cod_data_source_file            Grins_JACTAW_2003_624.cif
_cod_data_source_block           Al0.62Ca0.27La0.03N16Si11.38
_cod_original_cell_volume        303.4202
_cod_database_code               1534730
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
La1 La+3 0.6667 0.3333 0.1858 0.0146 0.0
Al2 Al+3 0.16774 0.91512 0.4509 0.05 0.0
Si2 Si+4 0.16774 0.91512 0.4509 0.95 0.0
Si1 Si+4 0.51185 0.42947 0.6589 0.95 0.0
Al1 Al+3 0.51185 0.42947 0.6589 0.05 0.0
N4 N-3 0.6667 0.3333 0.6023 1 0.0
N2 N-3 0.3185 0.0017 0.6989 1 0.0
N1 N-3 0.611 0.9548 0.4337 1 0.0
N3 N-3 0 0 0.451 1 0.0
Ca1 Ca+2 0.6667 0.3333 0.1858 0.131 0.0
