#------------------------------------------------------------------------------ #$Date: 2023-04-02 10:39:43 +0300 (Sun, 02 Apr 2023) $ #$Revision: 282191 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/00/97/9009797.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_9009797 loop_ _publ_author_name 'Becker, K. A.' 'Plieth, K.' 'Stranski, I. N.' _publ_section_title ; Strukturuntersuchung der monoklinen arsenikmodifikation claudetit ; _journal_name_full 'Zeitschrift fur Anorganische und Allgemeine Chemie' _journal_page_first 293 _journal_page_last 301 _journal_paper_doi 10.1002/zaac.19512660604 _journal_volume 266 _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 93.88 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 5.25 _cell_length_b 12.90 _cell_length_c 4.53 _cell_volume 306.091 _database_code_amcsd 0015770 _exptl_crystal_density_diffrn 4.293 _cod_database_code 9009797 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 0.33500 0.35100 0.00000 0.02280 As2 0.25000 0.10100 0.00000 0.02280 O1 0.43200 0.21900 0.91500 0.02280 O2 0.45200 0.34400 0.37600 0.02280 O3 0.63100 0.40800 0.87600 0.02280 loop_ _cod_related_entry_id _cod_related_entry_database _cod_related_entry_code 1 AMCSD 0015770