#------------------------------------------------------------------------------
#$Date: 2024-04-18 17:56:43 +0200 (jue 18 de abr de 2024) $
#$Revision: 291269 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/00/9000050.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_9000050
loop_
_publ_author_name
'Frueh, A. J.'
_publ_section_title
;
 The crystal structure of claudetite (monoclinic As2O3)
;
_journal_name_full               'American Mineralogist'
_journal_page_first              833
_journal_page_last               850
_journal_volume                  36
_journal_year                    1951
_chemical_formula_sum            'As2 O3'
_chemical_name_mineral           Claudetite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.82
_cell_angle_gamma                90
_cell_length_a                   5.25
_cell_length_b                   12.87
_cell_length_c                   4.54
_cell_formula_units_Z            4
_cell_volume                     306.075
_database_code_amcsd             0000053
_exptl_crystal_density_diffrn    4.293
_cod_database_code               9000050
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
As1 0.25800 0.10200 0.04000
As2 0.36300 0.35200 0.00700
O1 0.45000 0.22000 0.03000
O2 0.62000 0.41000 0.18000
O3 0.95000 0.16000 0.13000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0000053
