#------------------------------------------------------------------------------
#$Date: 2016-02-14 15:26:36 +0100 (dom 14 de feb de 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/10/2101023.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_2101023
loop_
_publ_author_name
'Fábry, J.'
'Breczewski, T.'
'Petrícek, V.'
_publ_section_title
;
 Structure determination of the ferroelastic triple-twinned phase of
 K₃Na(SeO₄)₂ at 291 K and its parent phase at 390 K
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              826
_journal_page_last               832
_journal_paper_doi               10.1107/S0108768193003702
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'K3 Na O8 Se2'
_chemical_formula_weight         426.19
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   5.906(3)
_cell_length_b                   5.9060(10)
_cell_length_c                   7.552(2)
_cell_volume                     228.13(14)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    9.450
_exptl_crystal_density_diffrn    3.101
_exptl_crystal_F_000             200
_cod_data_source_file            al0550.cif
_cod_data_source_block           al0550b
_cod_original_cell_volume        228.13
_cod_original_formula_sum        'K3 Na1 O8 Se2'
_cod_database_code               2101023
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Se 0.3333 0.6667 .27241(4)
K(1) 0.3333 0.6667 .82400(10)
K(2) .0 .0 .5
Na .0 .0 .0
O(1) .3333 .6667 .4852(5)
O(2) .1842(2) .3685(4) .1965(3)
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
O(1) Se O(2) 110.59(8)
O(1) Se O(2) 110.59(8)
O(1) Se O(2) 110.59(8)
O(2) Se O(2) 108.33(7)
O(2) Se O(2) 108.33(7)
O(2) Se O(2) 108.33(7)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
K(1) O(1) 2.558(4)
K(1) O(2) 3.200(2)
K(1) O(2) 3.200(2)
K(1) O(2) 3.200(2)
K(1) O(2) 2.963(2)
K(1) O(2) 2.963(2)
K(1) O(2) 2.963(2)
K(1) O(2) 2.963(2)
K(1) O(2) 2.963(2)
K(1) O(2) 2.963(2)
K(2) O(1) 3.41170(10)
K(2) O(1) 3.41170(10)
K(2) O(1) 3.41170(10)
K(2) O(1) 3.41170(10)
K(2) O(1) 3.41170(10)
K(2) O(1) 3.41170(10)
K(2) O(2) 2.967(2)
K(2) O(2) 2.967(2)
K(2) O(2) 2.967(2)
K(2) O(2) 2.967(2)
K(2) O(2) 2.967(2)
K(2) O(2) 2.967(2)
Na O(2) 2.399(2)
Na O(2) 2.399(2)
Na O(2) 2.399(2)
Na O(2) 2.399(2)
Na O(2) 2.399(2)
Na O(2) 2.399(2)
Se O(1) 1.607(4)
Se O(2) 1.629(2)
Se O(2) 1.629(2)
Se O(2) 1.629(2)
