#------------------------------------------------------------------------------
#$Date: 2022-05-10 18:44:10 +0200 (mar 10 de may de 2022) $
#$Revision: 275304 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/13/7221334.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_7221334
loop_
_publ_author_name
'Brodersen, Klaus'
'Jensen, Klaus-Peter'
'Thiele, Gerhard'
_publ_section_title
;
 Über Chloro- und Bromomercurate MHg₅X₁₁ (M = Tl, K, Rb, Cs, NH₄;
 X = Cl, Br)
;
_journal_coden_ASTM              ZNBAD2
_journal_issue                   3
_journal_name_full
;
 Zeitschrift für Naturforschung, Teil B: Anorganische Chemie,
 Organische Chemie
;
_journal_page_first              253
_journal_page_last               258
_journal_paper_doi               10.1515/znb-1980-0301
_journal_volume                  35
_journal_year                    1980
_chemical_formula_sum            'Cl11 Hg5 Tl'
_chemical_name_systematic        'Tl Hg5 Cl11'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 118.55
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.716
_cell_length_b                   14.15
_cell_length_c                   6.46
_cell_volume                     940.721
_citation_journal_id_ASTM        ZNBAD2
_cod_data_source_file            Brodersen_ZNBAD2_1980_917.cif
_cod_data_source_block           Cl11Hg5Tl1
_cod_original_cell_volume        940.7209
_cod_original_formula_sum        'Cl11 Hg5 Tl1'
_cod_database_code               7221334
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,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
Cl1 Cl-1 0.1489 0 0.3889 1 0.0
Tl1 Tl+1 0.5 0 0 1 0.0
Hg2 Hg+2 0.1849 0.3304 0.6866 1 0.0
Cl2 Cl-1 0.4225 0.2197 0.6996 1 0.0
Cl3 Cl-1 0.2946 0.3762 0.0768 1 0.0
Hg1 Hg+2 0 0 0 1 0.0
Cl4 Cl-1 0.5 0 0.5 1 0.0
loop_
_cod_changelog_entry_id
_cod_changelog_entry_author
_cod_changelog_entry_date
_cod_changelog_entry_text
1 'Vaitkus, Antanas' 2022-05-10T19:43:00+03:00
'Updated bibliographic information.'
