#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/38/8103870.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_8103870
loop_
_publ_author_name
'Aurivillius, K.'
'Stalhandske, C.'
_publ_section_title
;
 Neutron diffraction study of mercury(II) chromate hemihydrate, Hg Cr O4
 (H2 O)0.5
;
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, 
Kristallchemie (-144,1977)
;
_journal_page_first              129
_journal_page_last               141
_journal_volume                  142
_journal_year                    1975
_chemical_formula_sum            'Cr H Hg O4.5'
_chemical_name_systematic        'Hg (Cr O4) (H2 O)0.5'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 121.01
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   11.832
_cell_length_b                   5.2616
_cell_length_c                   14.637
_cell_volume                     780.995
_citation_journal_id_ASTM        ZEKGAX
_cod_data_source_file            Aurivillius_ZEKGAX_1975_1895.cif
_cod_data_source_block           H1Cr1Hg1O4.5
_cod_original_cell_volume        780.9947
_cod_original_formula_sum        'H1 Cr1 Hg1 O4.5'
_cod_database_code               8103870
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,-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
O2 O-2 0.16292 0.6174 0.16827 1 0.0
O5 O-2 0 0.3967 0.25 1 0.0
Cr1 Cr+6 0.19953 0.4391 0.09833 1 0.0
O3 O-2 0.12129 0.1514 0.07324 1 0.0
H1 H+1 0.0725 0.5076 0.2878 1 0.0
Hg1 Hg+2 -0.0011 0.02619 0.12474 1 0.0
O4 O-2 0.15138 0.5733 -0.01409 1 0.0
O1 O-2 0.36707 0.3913 0.16566 1 0.0
