#------------------------------------------------------------------------------
#$Date: 2017-10-06 18:24:22 +0200 (vie 06 de oct de 2017) $
#$Revision: 201816 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/42/9014265.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_9014265
loop_
_publ_author_name
'Marumo, F.'
'Nowacki, W.'
_publ_section_title
;
 The crystal structure of lautite and of sinnerite,
 a new mineral from the Lengenbach Quarry
;
_journal_name_full
'Schweizerische Mineralogische und Petrographische Mitteilungen'
_journal_page_first              439
_journal_page_last               454
_journal_volume                  44
_journal_year                    1964
_chemical_compound_source
'Grube Gabe Gottes near Sainte-Marie-aux-Mines, France'
_chemical_formula_sum            'As Cu S'
_chemical_name_mineral           Lautite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.356
_cell_length_b                   3.754
_cell_length_c                   5.453
_cell_volume                     232.464
_database_code_amcsd             0018614
_exptl_crystal_density_diffrn    4.873
_cod_original_formula_sum        'Cu As S'
_cod_database_code               9014265
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,z
-x,1/2+y,-z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
1/2+x,y,1/2-z
1/2-x,-y,1/2+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
Cu 0.17320 0.25000 0.06100 0.02660
As 0.01460 0.25000 0.35200 0.01773
S 0.16510 0.75000 0.81700 0.01267
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0018614
