#------------------------------------------------------------------------------
#$Date: 2024-05-23 11:45:01 +0200 (Thu 23 de May de 2024) $
#$Revision: 292002 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/39/9013973.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9013973
loop_
_publ_author_name
'Roberts, A. C.'
'Grice, J. D.'
'Gault, R. A.'
'Criddle, A. J.'
'Erd, R. C.'
_publ_section_title
;
 Hanawaltite, Hg1+6Hg2+[Cl,(OH)]2O3 - A new mineral from
 the Clear Creek claim, San Benito County, California:
 Description and crystal structure
;
_journal_name_full               'Powder Diffraction'
_journal_page_first              45
_journal_page_last               50
_journal_paper_doi               10.1017/S0885715600008915
_journal_volume                  11
_journal_year                    1996
_chemical_compound_source
'Clear Creek claim, San Benito County, California'
_chemical_formula_structural     Hg7Cl2O3
_chemical_formula_sum            'Cl2 Hg7 O3'
_chemical_name_mineral           Hanawaltite
_space_group_IT_number           57
_symmetry_space_group_name_Hall  '-P 2a 2ab'
_symmetry_space_group_name_H-M   'P b m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.777
_cell_length_b                   13.891
_cell_length_c                   6.460
_cell_formula_units_Z            4
_cell_volume                     1056.819
_database_code_amcsd             0015316
_exptl_crystal_density_diffrn    9.572
_cod_original_formula_sum        'Hg7 Cl2 O3'
_cod_database_code               9013973
loop_
_space_group_symop_operation_xyz
x,y,z
1/2-x,1/2+y,z
1/2+x,1/2-y,-z
1/2+x,y,-z
1/2-x,-y,z
x,1/2-y,z
-x,1/2+y,-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Hgl 0.11670 0.58310 0.47120 0.01200
Hg2 0.29110 0.62950 0.67590 0.01900
Hg3 0.03780 0.75000 0.13400 0.01600
Hg4 0.24480 0.25000 0.15100 0.02200
Hg5 0.00000 0.50000 0.00000 0.01000
Cl1 0.25000 0.50000 0.08400 0.01400
Cl2 0.44095 0.75000 0.32900 0.03600
O1 0.34400 0.75000 -0.10000 0.02000
O2 -0.02000 0.54500 0.28000 0.02000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0015316
