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#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/09/2000991.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_2000991
loop_
_publ_author_name
'Chakoumakos, B. C.'
'Lager, G. A.'
'Fernandez-Baca, J. A.'
_publ_section_title
;
 Refinement of the structures of Sr₃Al₂O₆ and the hydrogarnet
 Sr₃Al₂(O₄D₄)₃ by Rietveld analysis of neutron powder
 diffraction data
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              414
_journal_page_last               419
_journal_paper_doi               10.1107/S0108270191010211
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'Al2 O6 Sr3'
_chemical_formula_weight         412.81
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            24
_cell_length_a                   15.8556(4)
_cell_length_b                   15.8556(4)
_cell_length_c                   15.8556(4)
_cell_volume                     3986.10(17)
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           Neutron
_diffrn_radiation_wavelength     1.400
_exptl_crystal_density_diffrn    4.126
_cod_data_source_file            st0526.cif
_cod_data_source_block           st0526a
_cod_original_cell_volume        3986.0(5)
_cod_database_code               2000991
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Sr(1) .0 .0 .0
Sr(2) .5 .0 .0
Sr(3) .25190(10) .25190(10) .25190(10)
Sr(4) .3759(2) .3759(2) .3759(2)
Sr(5) .1343(2) .3750(2) .1319(2)
Sr(6) .3799(2) .38550(10) .12470(10)
Al(1) .2519(2) .0168(4) .0193(4)
Al(2) .2381(4) .2345(4) .0041(3)
O(1) .2622(2) .1257(4) .0028(2)
O(2) .4928(2) .1295(3) .2437(2)
O(3) .2704(2) .2769(2) .1002(2)
O(4) .2352(2) .4063(2) .2800(2)
O(5) .3460(2) -.0256(2) -.0194(2)
O(6) .1539(2) -.0176(2) -.0168(2)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Al(1) O(1) 1.754(8)
Al(1) O(2) 1.789(7)
Al(1) O(5) 1.743(5)
Al(1) O(6) 1.748(5)
