#------------------------------------------------------------------------------
#$Date: 2012-02-03 19:16:24 +0200 (Fri, 03 Feb 2012) $
#$Revision: 32112 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/11/2101159.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_2101159
loop_
_publ_author_name
'Burkhardt, U.'
'Grin, Yu.'
'Ellner, M.'
'Peters, K.'
_publ_section_title
;
 Structure refinement of the iron--aluminium phase with the approximate
 composition Fe~2~Al~5~
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              313
_journal_page_last               316
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'Al5 Fe2'
_chemical_formula_weight         246.6
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.6559(8)
_cell_length_b                   6.4154(6)
_cell_length_c                   4.2184(4)
_cell_volume                     207.19(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     .71073
_exptl_absorpt_coefficient_mu    8.2
_exptl_crystal_density_diffrn    3.950(10)
_exptl_crystal_density_meas      4.200(10)
_exptl_crystal_F_000             234
_[local]_cod_data_source_file    se0133.cif
_[local]_cod_data_source_block   se0133a
_cod_original_cell_volume        207.19(6)
_cod_database_code               2101159
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Fe .0 .82770(10) .25
Al1 .1880(2) .1467(2) .25
Al2 .0 .5 .0
Al3 .5 .034(2) .830(7)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Fe Al3 2.34(2)
Fe Al2 2.3520(10)
Fe Al1 2.502(2)
Fe Al1 2.5590(10)
Fe Al3 2.59(2)
Fe Al1 2.656(2)
Fe Fe 3.0550(10)
Fe Al3 3.09(3)
Al1 Fe 2.502(2)
Al1 Al3 2.530(10)
Al1 Fe 2.5590(10)
Al1 Fe 2.656(2)
Al1 Al1 2.6660(10)
Al1 Al3 2.676(8)
Al1 Al2 2.776(2)
Al1 Al1 2.827(2)
Al1 Al1 2.878(2)
Al1 Al2 2.884(2)
Al1 Al3 3.06(2)
Al2 Al3 .75(3)
Al2 Al3 1.41(3)
Al2 Al2 2.1092(4)
Al2 Fe 2.3520(10)
Al2 Al1 2.776(2)
Al2 Al3 2.84(6)
Al2 Al1 2.884(2)
Al3 Al3 .67(9)
Al3 Al2 .75(6)
Al3 Al2 1.41(6)
Al3 Al3 1.50(8)
Al3 Al3 2.15(8)
Al3 Fe 2.35(2)
Al3 Al1 2.530(10)
Al3 Fe 2.59(2)
Al3 Al1 2.676(8)
Al3 Al3 2.82(4)
Al3 Al2 2.84(3)
Al3 Al1 3.06(2)
Al3 Fe 3.09(3)