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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/04/1530499.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_1530499
loop_
_publ_author_name
'Nozik, Yu.Z.'
'Fykin, L.E.'
'Bukin, V.I.'
'Laptash, N.M.'
_publ_section_title
;
 Crystal structure of mercury hydroxyfluoride Hg (O H)F determined by
 neutron diffraction
;
_journal_name_full
;
Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))
;
_journal_page_first              276
_journal_page_last               278
_journal_volume                  5
_journal_year                    1979
_chemical_formula_sum            'F H Hg O'
_chemical_name_systematic        'Hg (O H) F'
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.963
_cell_length_b                   5.92
_cell_length_c                   6.857
_cell_volume                     201.465
_citation_journal_id_ASTM        KOKHDC
_cod_data_source_file            Nozik_KOKHDC_1979_537.cif
_cod_data_source_block           H1F1Hg1O1
_cod_original_cell_volume        201.4652
_cod_original_formula_sum        'H1 F1 Hg1 O1'
_cod_database_code               1530499
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-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
O1 O-2 0.5348 0.0965 0.1222 1 0.0
F1 F-1 0.4099 0.1076 0.6233 1 0.0
H1 H+1 0.3565 0.0076 0.1305 1 0.0
Hg1 Hg+2 0.2459 0.5066 0.6159 1 0.0
