#------------------------------------------------------------------------------
#$Date: 2018-01-28 05:15:13 +0100 (dom 28 de ene de 2018) $
#$Revision: 205826 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/09/2000941.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_2000941
loop_
_publ_author_name
'Ichikawa, M.'
'Gustafsson, T.'
'Olovsson, I.'
_publ_section_title
;
 Structure of Rb₃D(SeO₄)₂ at 25, 110 and 297 K
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              603
_journal_page_last               607
_journal_paper_doi               10.1107/S0108270191011708
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'D O8 Rb3 Se2'
_chemical_formula_weight         544.3
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-A 2ya'
_space_group_name_H-M_alt        'A 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.919(9)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.4775(6)
_cell_length_b                   6.0856(11)
_cell_length_c                   15.4206(11)
_cell_volume                     958.4(2)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    22.4
_exptl_crystal_density_diffrn    3.773
_exptl_crystal_F_000             976
_cod_data_source_file            ab0220.cif
_cod_data_source_block           ab0220a
_cod_original_cell_volume        958.1(3)
_cod_original_formula_sum        'D1 O8 Rb3 Se2'
_cod_database_code               2000941
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x+1/2,y,-z
3 -x,-y,-z
4 x+1/2,-y,z
5 x,y+1/2,z+1/2
6 -x+1/2,y+1/2,-z+1/2
7 -x,-y+1/2,-z+1/2
8 x+1/2,-y+1/2,z+1/2
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Rb(1) .25000 .75184(10) .0 .0232(3)
Rb(2) .65183(4) .73485(7) .19502(3) .0238(2)
Se .46198(3) .22717(7) .11627(3) .01752(17)
O(1) .3987(3) .0175(5) .15624(19) .0316(16)
O(2) .4399(3) .1780(5) .00590(18) .0390(17)
O(3) .6194(2) .2420(5) .1544(2) .0169(12)
O(4) .3881(3) .4529(5) .12849(19) .0327(16)
D .0 .0 .0 .06(2)
