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#$Date: 2022-09-14 17:38:48 +0100 (Wed, 14 Sep 2022) $
#$Revision: 277834 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/06/2000652.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_2000652
loop_
_publ_author_name
'Harrison, W. T. A.'
'Stucky, G. D.'
'Morris, R. E.'
'Cheetham, A. K.'
_publ_section_title
;
 Synthesis and structure of aluminium selenite trihydrate,
 Al~2~(SeO~3~)~3~.3H~2~O
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1365
_journal_page_last               1367
_journal_paper_doi               10.1107/S0108270192000015
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'Al2 H6 O12 Se3'
_chemical_formula_weight         488.88
_space_group_IT_number           161
_space_group_name_Hall           'P 3* -2n'
_space_group_name_H-M_alt        'R 3 c :R'
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'P 3* -2n'
_symmetry_space_group_name_H-M   'R 3 c :R'
_cell_angle_alpha                65.527(3)
_cell_angle_beta                 65.527(3)
_cell_angle_gamma                65.527(3)
_cell_formula_units_Z            2
_cell_length_a                   8.3806(4)
_cell_length_b                   8.3806(4)
_cell_length_c                   8.3806(4)
_cell_volume                     535.72(5)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    11.97
_exptl_crystal_density_diffrn    3.48
_exptl_crystal_F_000             460
_cod_data_source_file            cr0386.cif
_cod_data_source_block           cr0386a
_cod_depositor_comments
;
 Adding symmetry operators and changing space groups symbols. Also,
 changing _cell_angle_beta and _cell_angle_gamma data item values from
 the default '90' to '65.527(3)' after consulting the original publication.

 Antanas Vaitkus,
 2017-02-07
;
_cod_original_cell_volume        466.2
_cod_original_sg_symbol_Hall     'R 3* 2'
_cod_original_sg_symbol_H-M      'R 32r'
_cod_database_code               2000652
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
z,x,y
y,z,x
y+1/2,x+1/2,z+1/2
z+1/2,y+1/2,x+1/2
x+1/2,z+1/2,y+1/2
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Al(1) .2048(3) .2048(3) .2048(3) .0052
Al(2) .4398(3) .4398(3) .4398(3) .0088
Se(1) .9188(2) .5458(2) .0086(2) .0067
O(1) .8480(10) .5940(10) .5040(10) .0109
O(2) .2040(10) .5420(10) .4230(10) .0136
O(3) .4050(10) .3100(10) .0560(10) .0125
O(4) .4580(10) .6900(10) .3570(10) .0144
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Al(1) O(1) 1.958(3)
Al(1) O(3) 1.932(8)
Al(2) O(2) 1.836(8)
Se(1) O(1) 1.699(7)
Se(1) O(2) 1.754(8)
Se(1) O(3) 1.679(7)