#------------------------------------------------------------------------------
#$Date: 2018-01-31 13:05:05 +0200 (Wed, 31 Jan 2018) $
#$Revision: 205956 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/08/2100811.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_2100811
loop_
_publ_author_name
'Ichikawa, M.'
'Gustafsson, T.'
'Olovsson, I.'
_publ_section_title
;
 Structural study of the low-temperature phase transition in
 Cs₃D(SeO₄)₂
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              633
_journal_page_last               639
_journal_paper_doi               10.1107/S0108768192004154
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'Cs3 D O8 Se2'
_chemical_formula_weight         686.7
_space_group_crystal_system      monoclinic
_space_group_IT_number           11
_space_group_name_Hall           '-P 2yb'
_space_group_name_H-M_alt        'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 112.22(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.7906(11)
_cell_length_b                   6.3264(3)
_cell_length_c                   8.367(2)
_cell_volume                     528.76(18)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.70930
_exptl_crystal_density_diffrn    4.312
_exptl_crystal_F_000             596
_cod_data_source_file            ab0279.cif
_cod_data_source_block           ab0279d
_cod_original_cell_volume        528.8(2)
_cod_original_formula_sum        'Cs3 D1 O8 Se2'
_cod_database_code               2100811
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,y+1/2,-z
3 -x,-y,-z
4 x,-y+1/2,z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cs(1) .25909(2) .25000 -.00105(2)
Cs(21) .44858(2) .25000 .60871(2)
Se(1) .67699(3) .25000 .23682(4)
O(11) .76588(13) .46352(19) .31393(18)
O(21) .6401(2) .25000 .0229(3)
O(31) .53877(19) .2500 .2726(3)
D .782(6) .25000 -.012(10)
Cs(22) .05256(2) .25000 -.60372(2)
Se(2) -.17527(3) .25000 -.23536(4)
O(12) -.26293(13) .46441(19) -.30645(18)
O(22) -.1360(2) .25000 -.0163(3)
O(32) -.03346(19) .25000 -.2603(3)
