#------------------------------------------------------------------------------ #$Date: 2016-02-14 14:26:36 +0000 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: svn://www.crystallography.net/cod/cif/2/00/08/2000806.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_2000806 loop_ _publ_author_name 'Kang, H. Y.' 'Wang, S. L.' 'Lii, K. H.' _publ_section_title ; Hydrothermal synthesis and structures of two layered dioxovanadium(V) phosphates A(VO~2~)PO~4~ (A = Ba, Sr) ; _journal_issue 6 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 975 _journal_page_last 978 _journal_paper_doi 10.1107/S0108270191014038 _journal_volume 48 _journal_year 1992 _chemical_formula_moiety 'Ba1,O6 P1 V1' _chemical_formula_sum 'Ba O6 P V' _chemical_formula_weight 315.256 _symmetry_cell_setting monoclinic _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _cell_angle_alpha 90 _cell_angle_beta 90.90(2) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 5.616(2) _cell_length_b 10.0620(10) _cell_length_c 8.7270(10) _cell_volume 493.09(19) _diffrn_radiation_type Mo _diffrn_radiation_wavelength 0.70930 _exptl_absorpt_coefficient_mu 10.049 _exptl_crystal_density_diffrn 4.247 _exptl_crystal_F_000 568 _cod_data_source_file br0009.cif _cod_data_source_block br0009a _cod_original_cell_volume 493.1(2) _cod_original_formula_sum 'Ba O6 P1 V1' _cod_database_code 2000806 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Ba .16140(3) .81336(2) .08426(2) V -.34080(9) -.41324(5) -.08608(6) P .34450(10) .11900(8) .22207(8) O(1) -.2820(5) -.3287(2) .1149(3) O(2) -.4950(4) .2270(2) .1510(3) O(3) -.5146(4) -.0144(2) .2332(3) O(4) -.0894(4) -.3748(3) -.1623(3) O(5) -.3045(4) -.5671(2) -.0154(3) O(6) -.8764(5) .0897(3) .1278(3)