#------------------------------------------------------------------------------
#$Date: 2024-05-06 09:39:41 +0200 (Mon 06 de May de 2024) $
#$Revision: 291735 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/96/9009647.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_9009647
loop_
_publ_author_name
'Kisi, E. H.'
'Crossley, J. A. A.'
'Myhra, S.'
'Barsoum, M. W.'
_publ_section_title
;
 Structure and crystal chemistry of Ti3SiC2
 Note: a MAX phase
;
_journal_name_full               'Journal of Physics and Chemistry of Solids'
_journal_page_first              1437
_journal_page_last               1443
_journal_paper_doi               10.1016/S0022-3697(98)00226-1
_journal_volume                  59
_journal_year                    1998
_chemical_formula_structural     Ti3SiC2
_chemical_formula_sum            'C2 Si Ti3'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.0575
_cell_length_b                   3.0575
_cell_length_c                   17.6235
_cell_formula_units_Z            2
_cell_volume                     142.678
_database_code_amcsd             0013252
_exptl_crystal_density_diffrn    4.556
_cod_original_formula_sum        'Ti3 Si C2'
_cod_database_code               9009647
_amcsd_formula_title             Ti3SiC2
loop_
_space_group_symop_operation_xyz
x,y,z
-x,-x+y,1/2+z
x,x-y,1/2-z
-x+y,-x,1/2-z
x-y,x,1/2+z
-y,-x,z
y,x,-z
y,-x+y,-z
-y,x-y,z
x-y,-y,1/2+z
-x+y,y,1/2-z
x,y,1/2-z
-x,-y,1/2+z
x,x-y,z
-x,-x+y,-z
x-y,x,-z
-x+y,-x,z
y,x,1/2+z
-y,-x,1/2-z
-y,x-y,1/2-z
y,-x+y,1/2+z
-x+y,y,z
x-y,-y,-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ti1 0.00000 0.00000 0.00000
Ti2 0.66667 0.33333 0.13550
Si 0.00000 0.00000 0.25000
C 0.33333 0.66667 0.07220
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0013252
