#------------------------------------------------------------------------------
#$Date: 2024-05-06 10:39:41 +0300 (Mon, 06 May 2024) $
#$Revision: 291735 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/96/9009693.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_9009693
loop_
_publ_author_name
'Pertlik, F.'
_publ_section_title
;
 Verfeinerung der kristallstruktur des minerals claudetit
;
_journal_name_full               'Monatshefte fur Chemie'
_journal_page_first              277
_journal_page_last               282
_journal_paper_doi               10.1007/BF00906344
_journal_volume                  109
_journal_year                    1978
_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                 93.88
_cell_angle_gamma                90
_cell_length_a                   5.25
_cell_length_b                   12.99
_cell_length_c                   4.53
_cell_formula_units_Z            4
_cell_volume                     308.227
_database_code_amcsd             0014664
_exptl_crystal_density_diffrn    4.263
_cod_database_code               9009693
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
_atom_site_U_iso_or_equiv
As1 0.25770 0.10170 0.04230 0.00697
As2 0.35840 0.35040 0.00430 0.00823
O1 0.43530 0.21900 0.06240 0.01520
O2 0.66130 0.39750 0.15130 0.01773
O3 0.96080 0.13810 0.14520 0.01520
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0014664
