#------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/19/2101903.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2101903
loop_
_publ_author_name
'Sui, H. X.'
'Liao, X. Z.'
'Kuo, K. H.'
'Zou, X.'
'Hovmöller, S.'
_publ_section_title
;
 Structural Model of the Orthorhombic Non-Fibonacci Approximant in the
 Al₁₂Fe₂Cr Alloy
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              587
_journal_page_last               595
_journal_paper_doi               10.1107/S0108768197000220
_journal_volume                  53
_journal_year                    1997
_chemical_formula_sum            'Al12 Cr Fe2'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'I 2 -2'
_symmetry_space_group_name_H-M   'I m m 2'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            20
_cell_length_a                   12.34
_cell_length_b                   12.41
_cell_length_c                   30.71
_cell_volume                     4702.911
_diffrn_radiation_type           electron
_exptl_crystal_density_diffrn    3.4
_cod_data_source_file            zh0014.cif
_cod_data_source_block           zh0014a
_cod_original_cell_volume        4701
_cod_original_formula_sum        'Al12 Cr1 Fe2'
_cod_database_code               2101903
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
TM(1) .0 .0 .1459 1.000
TM(2) .3242 .0 .2385 1.000
TM(3) .5 .0 .0 1.000
TM(4) .5 .0 .2907 1.000
TM(5) .0 .0 .8541 1.000
TM(6) .3242 .0 .7615 1.000
TM(7) .5 .0 .7093 1.000
TM(8) .0 .1091 .5 1.000
TM(9) .0 .1953 .7160 1.000
TM(10) .0 .1953 .2840 1.000
TM(11) .1775 .1910 .0453 1.000
TM(12) .5 .1936 .4280 1.000
TM(13) .5 .1990 .8536 1.000
TM(14) .5 .1936 .5720 1.000
Al(15) .0 .0 .2923 1.000
Al(16) .0 .0 .5790 1.000
Al(17) .1151 .0 .4386 1.000
Al(18) .1325 .0 .0 1.000
Al(19) .1916 .0 .0898 1.000
Al(20) .1813 .0 .1815 1.000
Al(21) .3062 .0 .3278 1.000
Al(22) .3869 .0 .1510 1.000
Al(23) .5 .0392 .0766 0.424
Al(24) .5 .0 .4374 1.000
Al(25) .0 .0 .7077 1.000
Al(26) .1864 .0 .5291 1.000
Al(27) .1836 .0 .9069 1.000
Al(28) .1813 .0 .8185 1.000
Al(29) .3062 .0 .6722 1.000
Al(30) .3869 .0 .8490 1.000
Al(31) .3500 .0 .9514 0.672
Al(32) .5 .0 .5626 1.000
Al(33) .0 .1018 .0724 1.000
Al(34) .0 .1174 .2090 1.000
Al(35) .1151 .1174 .3537 1.000
Al(36) .1790 .1173 .2632 1.000
Al(37) .3467 .1042 .0267 0.672
Al(38) .3062 .1157 .4090 1.000
Al(39) .3848 .1196 .5000 1.000
Al(40) .5 .1031 .2156 1.000
Al(41) .5 .1149 .3543 1.000
Al(42) .0 .1018 .9276 1.000
Al(43) .0 .1174 .7910 1.000
Al(44) .1151 .1174 .6463 1.000
Al(45) .1790 .1173 .7368 1.000
Al(46) .3062 .1157 .5910 1.000
Al(47) .5 .1031 .7844 1.000
Al(48) .5 .1149 .6457 1.000
Al(49) .5 .0969 .9200 0.424
Al(50) .0 .2037 .0 1.000
Al(51) .0 .1872 .4283 1.000
Al(52) .1150 .1910 .1354 1.000
Al(53) .1790 .1911 .4831 1.000
Al(54) .3107 .1846 .1091 1.000
Al(55) .3128 .1890 .1925 1.000
Al(56) .3848 .1850 .2814 1.000
Al(57) .5 .1931 .9941 0.424
Al(58) .1821 .1850 .9555 1.000
Al(59) .1013 .1760 .5655 1.000
Al(60) .5 .1999 .1344 1.000
Al(61) .1150 .1910 .8646 1.000
Al(62) .3188 .1846 .8965 1.000
Al(63) .3128 .1890 .8075 1.000
Al(64) .3848 .1850 .7186 1.000
