#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/46/1524665.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_1524665 loop_ _publ_author_name 'Keller, P.' 'Hess, H.' 'Dunn, P.J.' _publ_section_title ; Die Ladungsbilanz fuer eine verfeinerte Kristallstruktur von Stranskiit, Zn2 Cu (As O4)2 ; _journal_name_full ; TMPM. Tschermaks Mineralogische und Petrographische Mitteilungen (1979-) ; _journal_page_first 167 _journal_page_last 174 _journal_volume 26 _journal_year 1979 _chemical_formula_sum 'As2 Cu O8 Zn2' _chemical_name_systematic 'Zn2 Cu (As O4)2' _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 110.16 _cell_angle_beta 112.09 _cell_angle_gamma 86.74 _cell_formula_units_Z 1 _cell_length_a 5.092 _cell_length_b 6.695 _cell_length_c 5.304 _cell_volume 156.729 _citation_journal_id_ASTM TTMMDZ _cod_data_source_file Keller_TTMMDZ_1979_251.cif _cod_data_source_block As2Cu1O8Zn2 _cod_original_cell_volume 156.7295 _cod_original_formula_sum 'As2 Cu1 O8 Zn2' _cod_database_code 1524665 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,-z loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv As1 As+5 0.8647 0.2761 0.138 1 0.0 Zn1 Zn+2 0.2303 0.1857 0.7357 1 0.0 Cu1 Cu+2 0.5 0.5 0.5 1 0.0 O3 O-2 0.6336 0.1554 0.7986 1 0.0 O1 O-2 0.1838 0.3332 0.129 1 0.0 O4 O-2 0.733 0.5045 0.2921 1 0.0 O2 O-2 0.9082 0.1212 0.3429 1 0.0