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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/37/1533764.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1533764
loop_
_publ_author_name
'Troyanov, S.I.'
'Morozov, I.V.'
'Kemnitz, E.'
_publ_section_title
;
 Synthesis and crystal structures of bimetallic hydrogen sulfates M(I)
 M(II) (H (S O4)2) (H2 O)2 (M(I) = K, Cs; M(II) = Zn, Mn) and selenate K
 Mg (H (Se O4)2) (H2 O)2
;
_journal_name_full               Kristallografiya
_journal_page_first              834
_journal_page_last               838
_journal_volume                  47
_journal_year                    2002
_chemical_formula_sum            'H5 K Mg O10 Se2'
_chemical_name_systematic        'K Mg (H (Se O4)2) (H2 O)2'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                103.15
_cell_angle_beta                 99.02
_cell_angle_gamma                96.95
_cell_formula_units_Z            1
_cell_length_a                   4.671
_cell_length_b                   5.882
_cell_length_c                   8.479
_cell_volume                     221.052
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Troyanov_KRISAJ_2002_469.cif
_cod_data_source_block           H5K1Mg1O10Se2
_cod_original_cell_volume        221.0522
_cod_original_formula_sum        'H5 K1 Mg1 O10 Se2'
_cod_database_code               1533764
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
H3 H+1 0.369 0.732 0.1 1 0.0
O2 O-2 0.3391 0.2828 0.0942 1 0.0
Se1 Se+6 0.62029 0.31979 0.242 1 0.0
O5 O-2 0.2086 0.7919 0.1301 1 0.0
Mg1 Mg+2 0 0 0 1 0.0
K1 K+1 0 0 0.5 1 0.0
O3 O-2 0.8079 0.5808 0.2724 1 0.0
O4 O-2 0.5094 0.2994 0.4172 1 0.0
H2 H+1 0.125 0.696 0.16 1 0.0
O1 O-2 0.8117 0.1076 0.2047 1 0.0
H1 H+1 0.569 0.464 0.471 0.5 0.0
