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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/1/53/50/1535021.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_1535021
loop_
_publ_author_name
'Beck, J.'
'Rompel, M.'
_publ_section_title
;
 Ueber Muenzmetall-Quecksilber-Chalkogenidhalogenide II:
 Hydrothermalsynthese, Kristallstruktur und Phasenumwandlung von Cu Hg S
 Cl und Cu Hg S Br
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              421
_journal_page_last               428
_journal_volume                  629
_journal_year                    2003
_chemical_formula_sum            'Br Cu Hg S'
_chemical_name_systematic        'Cu Hg S Br'
_space_group_IT_number           51
_symmetry_space_group_name_Hall  '-P 2 2a'
_symmetry_space_group_name_H-M   'P m a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.0092
_cell_length_b                   9.184
_cell_length_c                   4.1381
_cell_volume                     380.393
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Beck_ZAACAB_2003_702.cif
_cod_data_source_block           Br1Cu1Hg1S1
_cod_original_cell_volume        380.3928
_cod_original_sg_symbol_Hall     '-P 2a 2a (-x,z,y)'
_cod_original_formula_sum        'Br1 Cu1 Hg1 S1'
_cod_database_code               1535021
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y,-z
x+1/2,-y,-z
-x,-y,z
-x,-y,-z
x-1/2,-y,z
-x-1/2,y,z
x,y,-z
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
Hg2 Hg+2 0.25 0.22347 0.5 1 0.0
Br1 Br-1 0.25 -0.0221 0 1 0.0
Hg1 Hg+2 0.5 0.5 0.5 1 0.0
S1 S-2 0.4852 0.2428 0.5 1 0.0
Br2 Br-1 0.25 0.5371 0 1 0.0
Cu1 Cu+1 0.5758 0.2064 0 1 0.0
