#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/00/64/2006468.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_2006468 loop_ _publ_author_name 'Dahaoui, Slimane' 'Hansen, Niels K.' 'Menaert, Bertrand' _publ_section_title ; NaTiOPO~4~ and KTiOPO~4~ at 110 K ; _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 1173 _journal_page_last 1176 _journal_volume 53 _journal_year 1997 _chemical_formula_moiety 'K Ti O P O4' _chemical_formula_sum 'K O5 P Ti' _chemical_formula_weight 197.97 _chemical_name_common ; Potassium titanyl phosphate ; _space_group_IT_number 33 _symmetry_cell_setting orthorhombic _symmetry_space_group_name_Hall 'P 2c -2n' _symmetry_space_group_name_H-M 'P n a 21' _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_formula_units_Z 8 _cell_length_a 12.7982(9) _cell_length_b 6.3937(7) _cell_length_c 10.5853(9) _cell_measurement_temperature 110(3) _cell_volume 866.20(10) _diffrn_ambient_temperature 110(3) _exptl_crystal_density_diffrn 3.037 _refine_ls_R_factor_obs .0123 _refine_ls_wR_factor_obs .0119 _[local]_cod_chemical_formula_sum_orig 'K Ti O P O4' _cod_depositor_comments ; Ti1 z-coordinate 'o' (small latin letter O) changed to 0, assuming it was a typo. The original IUCr CIF file, du1171.cif, contains 0 as the Ti1 z-coordinate value. (see http://scripts.iucr.org/cgi-bin/sendcif?du1171sup1) Saulius Gra\