#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/52/34/1523416.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_1523416
loop_
_publ_author_name
'Cordier, G.'
'Roehr, C.'
_publ_section_title
;
 Zur Kenntnis der ternaeren Aluminide Ba5 Cu1.9 Al3.1, Ba16 Ag7 Al27 und
 Ba3 Ag14.6 Al6.4
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              333
_journal_page_last               357
_journal_volume                  170
_journal_year                    1991
_chemical_formula_sum            'Al3.1 Ba5 Cu1.9'
_space_group_IT_number           160
_symmetry_space_group_name_Hall  'R 3 -2"'
_symmetry_space_group_name_H-M   'R 3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   6.14
_cell_length_b                   6.14
_cell_length_c                   37.281
_cell_volume                     1217.180
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Cordier_JCOMAH_1991_862.cif
_cod_data_source_block           Al3.1Ba5Cu1.9
_cod_original_cell_volume        1217.18
_cod_database_code               1523416
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-y,-x,z
x,x-y,z
-x+y,y,z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
-y+2/3,-x+1/3,z+1/3
x+2/3,x-y+1/3,z+1/3
-x+y+2/3,y+1/3,z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
-y+1/3,-x+2/3,z+2/3
x+1/3,x-y+2/3,z+2/3
-x+y+1/3,y+2/3,z+2/3
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
Al3 Al 0.8174 0.1826 0.2452 0.62 0.0
Ba5 Ba 0 0 0.6323 1 0.0
Cu3 Cu 0.8174 0.1826 0.2452 0.38 0.0
Ba1 Ba 0 0 0 1 0.0
Ba2 Ba 0 0 0.8165 1 0.0
Al1 Al 0 0 0.1947 0.62 0.0
Cu1 Cu 0 0 0.1947 0.38 0.0
Al2 Al 0 0 0.36 0.62 0.0
Ba4 Ba 0 0 0.1007 1 0.0
Ba3 Ba 0 0 0.5316 1 0.0
Cu2 Cu 0 0 0.36 0.38 0.0
