#------------------------------------------------------------------------------ #$Date: 2011-09-28 15:24:46 +0100 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: svn://www.crystallography.net/cod/cif/2/10/13/2101309.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_2101309 loop_ _publ_author_name 'Marsh, R. E.' 'Bernal, I.' _publ_section_title ; More space-group changes ; _journal_issue 3 _journal_name_full 'Acta Crystallographica Section B' _journal_page_first 300 _journal_page_last 307 _journal_volume 51 _journal_year 1995 _chemical_formula_sum 'H9.5 K2.5 O26 Pt W6' _[local]_cod_chemical_formula_sum_orig 'H9.5 K2.5 O26 Pt1 W6' _symmetry_cell_setting monoclinic _symmetry_space_group_name_Hall '-C 2y' _symmetry_space_group_name_H-M 'C 1 2/m 1' _cell_angle_alpha 89.99 _cell_angle_beta 101.36 _cell_angle_gamma 89.99 _cell_formula_units_Z 4 _cell_length_a 11.427 _cell_length_b 19.832 _cell_length_c 13.674 _diffrn_radiation_type Mo _diffrn_radiation_wavelength 0.71073 _[local]_cod_data_source_file cr0484.cif loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Pt 0.2121(2) 0.0 0.1502(2) W(1) 0.2328(2) 0.16740(10) 0.1521(2) W(6) 0.2328(2) 0.16740(10) 0.1521(2) W(2) 0.2142(2) 0.08590(10) -0.0562(2) W(4) 0.2142(2) 0.08590(10) -0.0562(2) W(3) 0.2455(2) 0.8080(10) 0.3670(2) W(5) 0.2455(2) 0.8080(10) 0.3670(2) K(1) -0.435(3) 0.0 0.363(2) K(2) -0.046(2) 0.2120(10) 0.295(2) K(4) -0.046(2) 0.2120(10) 0.295(2) K(3) 0.5 0.2320(10) 0.0 O(1) 0.133(3) 0.078(2) 0.203(2) O(4) 0.133(3) 0.078(2) 0.203(2) O(2) 0.120(5) 0.0 0.013(5) O(3) 0.301(3) 0.074(2) 0.101(2) O(6) 0.301(3) 0.074(2) 0.101(2) O(5) 0.312(4) 0.0 0.287(3) O(7) 0.292(4) 0.0 -0.077(3) O(8) 0.140(3) 0.149(2) 0.021(3) O(10) 0.140(3) 0.149(2) 0.021(3) O(9) 0.140(3) 0.149(2) 0.021(3) O(9) 0.165(5) 0.0 0.393(4) O(11) 0.316(3) 0.135(2) 0.282(3) O(12) 0.316(3) 0.135(2) 0.282(3) O(13) 0.332(4) 0.128(3) -0.091(3) O(15) 0.332(4) 0.128(3) -0.091(3) O(14) 0.346(5) 0.216(3) 0.127(4) O(20) 0.346(5) 0.216(3) 0.127(4) O(16) 0.099(4) 0.086(2) -0.166(3) O(18) 0.099(4) 0.086(2) -0.166(3) O(17) 0.136(5) 0.223(3) 0.193(4) O(23) 0.136(5) 0.223(3) 0.193(4) O(19) 0.142(6) 0.136(3) 0.400(4) O(22) 0.142(6) 0.136(3) 0.400(4) O(21) 0.366(4) 0.079(2) 0.469(3) O(24) 0.366(4) 0.079(2) 0.469(3) O(Aq1) 0.491(6) 0.0 0.144(5) O(Aq2) 0.0 0.046(6) 0.5 _cod_database_code 2101309