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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/8/10/37/8103795.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_8103795
loop_
_publ_author_name
'Wildner, M.'
'Stoilova, D.'
_publ_section_title
;
 Crystal structures and crystal chemical relationships of kroehnkite- and
 collinsite-type compounds Na2 Me(2+) (X O4)2 * 2(H2O) (X = S, Me = Mn,
 Cd; and X = Se, Me = Mn, Co, Ni, Zn, Cd) and K2Co (Se O4)2 * 2(H2 O)
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              201
_journal_page_last               209
_journal_volume                  218
_journal_year                    2003
_chemical_formula_sum            'Cd H4 Na2 O10 S2'
_chemical_name_systematic        'Na2 Cd (S O4)2 (H2 O)2'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.03
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.908
_cell_length_b                   13.033
_cell_length_c                   5.567
_cell_volume                     411.986
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Wildner_ZEKRDZ_2003_1112.cif
_cod_data_source_block           H4Cd1Na2O10S2
_cod_original_formula_sum        'H4 Cd1 Na2 O10 S2'
_cod_database_code               8103795
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-y-1/2,z-1/2
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
O3 O-2 0.2449 0.0422 0.382 1 0.0
O2 O-2 0.2872 0.0609 0.8223 1 0.0
O1 O-2 0.0058 0.1663 0.5246 1 0.0
O5 O-2 0.8046 0.1493 0.9817 1 0.0
O4 O-2 0.4269 0.1929 0.595 1 0.0
Na1 Na+1 0.5808 0.1181 0.2628 1 0.0
H2 H+1 0.711 0.162 0.848 1 0.0
Cd1 Cd+2 0 0 0 1 0.0
H1 H+1 0.883 0.202 0.003 1 0.0
S1 S+6 0.23726 0.11774 0.5806 1 0.0
