#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/76/9017626.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_9017626
loop_
_publ_author_name
'Bindi, L.'
'Nestola, F.'
'De Battisti, L.'
'Guastoni, A.'
_publ_section_title
;
 Dervillite, Ag2AsS2, from Lengenbach quarry, Binn valley, Switzerland:
 occurrence and crystal structure
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              3105
_journal_page_last               3112
_journal_volume                  77
_journal_year                    2013
_chemical_compound_source        'Lengenbach quarry, Binn valley, Switzerland'
_chemical_formula_sum            'Ag2 As S2'
_chemical_name_mineral           Dervillite
_space_group_IT_number           7
_space_group_name_Hall           'P -2yc'
_space_group_name_H-M_alt        'P 1 c 1'
_symmetry_space_group_name_H-M   'P 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.352
_cell_angle_gamma                90
_cell_length_a                   9.6155
_cell_length_b                   12.9331
_cell_length_c                   6.8616
_cell_formula_units_Z            8
_cell_volume                     841.955
_database_code_amcsd             0019987
_exptl_crystal_density_diffrn    5.598
_cod_data_source_file            inputs/fixed/downloads/18/18533.cif
_cod_data_source_block           18533
_cod_database_code               9017626
loop_
_space_group_symop_operation_xyz
x,y,z
x,-y,1/2+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ag1 0.23710 0.59590 0.42290 0.03500
Ag2 0.04160 0.91390 0.72620 0.04490
Ag3 0.69310 0.90710 0.12240 0.03180
Ag4 0.35750 0.89290 0.62930 0.03660
Ag5 0.56500 0.60590 0.89560 0.03670
Ag6 0.96150 0.78980 0.30720 0.05310
Ag7 0.83870 0.49270 0.65180 0.08500
Ag8 0.96100 0.68680 0.84800 0.07280
As1 0.31250 0.68540 0.93860 0.01600
As2 0.61780 0.68170 0.35130 0.01790
As3 0.30960 0.83090 0.17990 0.01710
As4 0.62600 0.82160 0.60350 0.01600
S1 0.15300 0.58130 0.05000 0.01850
S2 0.79180 0.91870 0.49990 0.01850
S3 0.19240 0.74550 0.65730 0.01930
S4 0.73330 0.75060 0.89160 0.02210
S5 0.84740 0.62910 0.41490 0.01990
S6 0.51420 0.56720 0.52240 0.02210
S7 0.09160 0.89570 0.10430 0.02180
S8 0.42720 0.93600 0.01200 0.01980
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0019987
