#------------------------------------------------------------------------------
#$Date: 2015-10-10 02:29:55 +0200 (Sat, 10 Oct 2015) $
#$Revision: 164070 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/63/1536388.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_1536388
loop_
_publ_author_name
'Weil, M.'
_publ_section_title
;
 Preparation and crystal structure analyses of compounds in the systems Hg
 O/M X O4/H2 O (M = Co, Zn, Cd; X = S, Se)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              921
_journal_page_last               927
_journal_volume                  630
_journal_year                    2004
_chemical_formula_sum            'H2 Hg2 O11 S2 Zn2'
_chemical_name_systematic        '(Zn (S O4))2 (Hg O)2 (H2 O)'
_space_group_IT_number           57
_symmetry_space_group_name_Hall  '-P 2c 2b'
_symmetry_space_group_name_H-M   'P b c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.1323
_cell_length_b                   11.2609
_cell_length_c                   12.9574
_cell_volume                     894.776
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Weil_ZAACAB_2004_1278.cif
_cod_data_source_block           H2Hg2O11S2Zn2
_cod_original_cell_volume        894.7761
_cod_database_code               1536388
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
x,-y+1/2,-z
-x,y+1/2,-z+1/2
-x,-y,-z
x,y,-z-1/2
-x,y-1/2,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
Zn1 Zn+2 0.0201 0.16761 0.12606 1 0.0
O3 O-2 0.2453 0.0336 0.1156 1 0.0
O5 O-2 0.1684 0.6018 0.25 1 0.0
Hg2 Hg+2 0.52429 0.16965 0.25 1 0.0
O4 O-2 0.5099 0.3709 0.1008 1 0.0
S1 S+6 0.73187 0.41058 0.07787 1 0.0
O2 O-2 0.2223 0.5964 0.0331 1 0.0
O6 O-2 0.2181 0.235 0.25 1 0.0
Hg1 Hg+2 0.20451 0.41956 0.25 1 0.0
O7 O-2 0.2074 0.25 0 1 0.0
H1 H+1 0.28 0.3 0.031 1 0.0
O1 O-2 0.1102 0.8363 0.1356 1 0.0
