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#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/25/1522589.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_1522589
loop_
_publ_author_name
'Niemann, S.'
'Jeitschko, W.'
_publ_section_title
;
 Ternary aluminides A6 T4 Al43 with A= Y, Nd, Sm, Gd-Lu, Th, U and T= Cr,
 Mo, W
;
_journal_name_full               'Zeitschrift fuer Metallkunde'
_journal_page_first              345
_journal_page_last               349
_journal_volume                  85
_journal_year                    1994
_chemical_formula_sum            'Al42.9 Ho6 Mo4.1'
_space_group_IT_number           193
_symmetry_space_group_name_Hall  '-P 6c 2'
_symmetry_space_group_name_H-M   'P 63/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   10.968
_cell_length_b                   10.968
_cell_length_c                   17.666
_cell_volume                     1840.449
_citation_journal_id_ASTM        ZEMTAE
_cod_data_source_file            Niemann_ZEMTAE_1994_1334.cif
_cod_data_source_block           Al42.9Ho6Mo4.1
_cod_database_code               1522589
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-y,-x,-z
x-y,-y,-z+1/2
x,x-y,-z
y,x,-z+1/2
-x+y,y,-z
-x,-x+y,-z+1/2
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-y,-z-1/2
y,x,z
-x+y,y,z-1/2
-x,-x+y,z
-y,-x,z-1/2
x-y,-y,z
x,x-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
Mo3 Mo 0.3333 0.6667 0.12624 0.028 0.0
Al2 Al 0.1599 0 0.61438 1 0.0
Ho1 Ho 0.53102 0 0.0952 1 0.0
Al1 Al 0.15832 0.39459 0.16348 1 0.0
Mo2 Mo 0 0 0 1 0.0
Al6 Al 0.3333 0.6667 0.12624 0.972 0.0
Al5 Al 0.24704 0.49408 0 1 0.0
Al3 Al 0.255 0 0.03009 1 0.0
Al7 Al 0.1481 0 0.25 1 0.0
Al4 Al 0.147 0.5959 0.25 1 0.0
Mo1 Mo 0.73038 0 0.25 1 0.0
