#------------------------------------------------------------------------------
#$Date: 2015-09-17 02:08:18 +0200 (jue 17 de sep de 2015) $
#$Revision: 156365 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/67/2106747.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_2106747
loop_
_publ_author_name
'Abrahams, S.C.'
'Ravez, J.'
'Ritter, H.'
'Ihringer, J.'
_publ_section_title
;
 Structure-property correlation over five phases and four transitions in
 Pb5 Al3 F19
;
_journal_name_full               'Acta Crystallographica B (39,1983-)'
_journal_page_first              557
_journal_page_last               574
_journal_volume                  59
_journal_year                    2003
_chemical_formula_sum            'Al3 F19 Pb5'
_chemical_name_systematic        'Pb5 Al3 F19'
_space_group_IT_number           140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.29
_cell_length_b                   14.29
_cell_length_c                   7.23
_cell_volume                     1476.396
_citation_journal_id_ASTM        ASBSDK
_cod_data_source_file            Abrahams_ASBSDK_2003_1652.cif
_cod_data_source_block           Al3F19Pb5
_cod_database_code               2106747
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z+1/2
y,x,-z+1/2
-x,y,-z+1/2
-y,-x,-z+1/2
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z-1/2
-y,-x,z-1/2
x,-y,z-1/2
y,x,z-1/2
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1
y+1/2,x+1/2,-z+1
-x+1/2,y+1/2,-z+1
-y+1/2,-x+1/2,-z+1
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,z
-y+1/2,-x+1/2,z
x+1/2,-y+1/2,z
y+1/2,x+1/2,z
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
Al2 Al+3 0 0 0.25 1 0.0
Pb1 Pb+2 0.427 0.272 0 1 0.0
F5 F-1 0.417 0.583 0.25 1 0.0
F3 F-1 0.25 0.25 0.5 1 0.0
Pb2 Pb+2 0 0.5 0.25 1 0.0
Al1 Al+3 0.168 0.332 0 1 0.0
F2 F-1 -0.081 0.419 0.5 1 0.0
F6 F-1 0.107 0.393 0.5 1 0.0
F1 F-1 0.274 0.099 0.331 1 0.0
F4 F-1 0 0 0.5 1 0.0
