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#$Date: 2016-02-20 02:53:41 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176768 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/09/2100950.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_2100950
loop_
_publ_author_name
'Gladyshevskii, R. E.'
'Strusievicz, O. R.'
'Cenzual, K.'
'Parthé, E.'
_publ_section_title
;
 Structure of Gd₃Ru₄Al₁₂, a new member of the EuMg~5.2~ structure
 family with minority-atom clusters
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              474
_journal_page_last               478
_journal_paper_doi               10.1107/S0108768192011510
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'Al12 Gd3 Ru4'
_chemical_formula_weight         1209.44
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   8.8142(6)
_cell_length_b                   8.8142(6)
_cell_length_c                   9.5692(9)
_cell_volume                     643.83(9)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    20.330
_exptl_crystal_density_diffrn    6.278
_exptl_crystal_F_000             1056
_cod_data_source_file            du0343.cif
_cod_data_source_block           du0343a
_cod_original_cell_volume        643.80(10)
_cod_original_sg_symbol_H-M      'P 63/mmc'
_cod_database_code               2100950
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Al(1) .1622(2) .3244 .5762(3) .93(9)
Gd .19285(5) .3857 0.25 .78(2)
Al(2) .5637(3) 1.1274 0.25 .80(10)
Ru(1) .5 .0 .0 .68(3)
Al(3) .33 0.666 .0116(5) .80(10)
Al(4) .0 .0 0.25 .7(2)
Ru(2) .0 .0 .0 .64(5)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Gd Al(4) 2.9440(10)
Gd Al(2) 3.070(2)
Gd Al(3) 3.132(4)
Gd Al(1) 3.156(3)
Gd Al(1) 3.206(2)
Gd Ru(1) 3.3680(10)
Gd Ru(2) 3.7940(10)
Al(1) Ru(2) 2.582(3)
Al(1) Ru(1) 2.680(2)
Al(1) Al(3) 2.744(3)
Al(1) Al(2) 2.821(4)
Al(1) Al(4) 2.983(3)
Al(1) Gd 3.156(3)
Al(1) Gd 3.206(2)
Al(1) Al(4) 3.984(3)
Al(2) Ru(1) 2.582(2)
Al(2) Al(1) 2.821(4)
Al(2) Al(3) 2.956(5)
Al(2) Gd 3.070(2)
Al(3) Ru(1) 2.5470(10)
Al(3) Al(1) 2.744(3)
Al(3) Al(2) 2.956(5)
Al(3) Gd 3.132(4)
Al(4) Ru(2) 2.3920(10)
Al(4) Gd 2.9440(10)
Al(4) Al(1) 2.983(3)
Al(4) Al(1) 3.984(3)
Ru(1) Al(3) 2.5470(10)
Ru(1) Al(2) 2.582(2)
Ru(1) Al(1) 2.680(2)
Ru(1) Gd 3.3680(10)
Ru(2) Al(4) 2.3920(10)
Ru(2) Al(1) 2.582(3)
Ru(2) Gd 3.7940(10)
