#------------------------------------------------------------------------------
#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/40/9014000.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_9014000
loop_
_publ_author_name
'Mereiter, K.'
_publ_section_title
;
 Chenite, Pb4Cu(SO4)2(OH)6, from Susanna mine, Leadhills, Scotland.
 Note: Crystal is from the Paar et al (1986) mineral description paper
;
_journal_name_full               'Private communication'
_journal_page_first              0
_journal_page_last               0
_journal_volume                  0
_journal_year                    2009
_chemical_compound_source        'Susanna mine, Leadhills, Scotland'
_chemical_formula_structural     Pb4Cu(SO4)2(OH)6
_chemical_formula_sum            'Cu H6 O14 Pb4 S2'
_chemical_name_mineral           Chenite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                111.994
_cell_angle_beta                 97.765
_cell_angle_gamma                100.426
_cell_length_a                   5.7960
_cell_length_b                   7.9471
_cell_length_c                   7.9836
_cell_formula_units_Z            1
_cell_volume                     326.939
_database_code_amcsd             0015326
_exptl_crystal_density_diffrn    6.026
_cod_original_formula_sum        'Pb4 Cu S2 O14 H6'
_cod_database_code               9014000
loop_
_space_group_symop_operation_xyz
x,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
Pb1 0.37159 0.25404 0.48633 0.01479
Pb2 0.56054 0.27164 0.04707 0.01440
Cu 0.00000 0.00000 0.00000 0.01230
S 0.05990 0.73885 0.27600 0.01350
O1 0.21290 0.23350 0.18730 0.01290
H1 0.14640 0.32270 0.19780 0.01500
O2 0.27700 -0.04410 -0.11830 0.01390
H2 0.23850 -0.07500 -0.23440 0.01700
O3 0.31960 0.56060 0.59850 0.01540
H3 0.17880 0.56290 0.55490 0.01900
O4 -0.19810 0.68520 0.19110 0.02240
O5 0.16540 0.57750 0.21480 0.02700
O6 0.09220 0.81580 0.47990 0.02220
O7 0.18590 0.88180 0.22050 0.02010
loop_
_cod_changelog_entry_id
_cod_changelog_entry_author
_cod_changelog_entry_date
_cod_changelog_entry_text
1 'Vaitkus, Antanas' 2022-04-26T18:40:00+03:00
'Marked entry as being related to AMCSD entry 0015326.'
2 'Vaitkus, Antanas' 2022-04-26T18:42:00+03:00
'Updated bibliographic information.'
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0015326
