#------------------------------------------------------------------------------ #$Date: 2009-04-21 15:31:11 +0100 (Tue, 21 Apr 2009) $ #$Revision: 665 $ #$URL: svn://www.crystallography.net/cod/cif/2/2000271.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # 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_2000271 loop_ _publ_author_name 'Wang, S.-L.' 'Lee, W.-C.' _publ_section_title ; Structure of vanadyl(IV) dihydrogenarsenate ; _journal_issue 8 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 1709 _journal_page_last 1711 _journal_volume 47 _journal_year 1991 _chemical_formula_moiety 'O1 V1,2(H2 As1 O4)' _chemical_formula_sum 'H4 As2 O9 V1' _chemical_formula_weight 348.8 _symmetry_cell_setting tetragonal _symmetry_space_group_name_Hall '-P 4a 2ac' _symmetry_space_group_name_H-M 'P 4/n c c' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 9.1310(10) _cell_length_b 9.1310(10) _cell_length_c 8.146(3) _cell_volume 679.1(4) _diffrn_radiation_type Mo _diffrn_radiation_wavelength 0.71073 _exptl_absorpt_coefficient_mu 11.089 _exptl_crystal_density_diffrn 3.412 _exptl_crystal_F_000 660 _[local]_cod_data_source_file cr0308.cif _[local]_cod_data_source_block cr0308a _[local]_cod_cif_authors_sg_H-M 'P 4/n c c {origin @ -1 @ n 1(c,n)}' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv As(1) .46680(10) .53320(10) .2500 .0080(10) V(1) .2500 .2500 .1952(3) .0080(10) O(1) .3886(6) .6123(5) .0793(6) .0180(10) O(2) .4345(4) .3549(5) .2435(6) .0120(10) O(3) .2500 .2500 -.008(9) .015(2) H(1) .4436 .6853 .0463 .05