#------------------------------------------------------------------------------ #$Date: 2011-09-10 04:16:28 +0100 (Sat, 10 Sep 2011) $ #$Revision: 25271 $ #$URL: svn://www.crystallography.net/cod/cif/2/2000580.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_2000580 loop_ _publ_author_name 'Averbuch-Pouchot, M. T.' 'Durif, A.' _publ_section_title ; Structure of an adduct between diammonium dihydrogendiphosphate and telluric acid: 2(NH~4~)~2~H~2~P~2~O~7~.Te(OH)~6~. Erratum ; _journal_issue 10 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 1912 _journal_volume 48 _journal_year 1992 _chemical_formula_sum 'H26 N4 O20 P4 Te' _chemical_formula_weight 653.712 _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'P 1 21/n 1' _cell_angle_alpha 90 _cell_angle_beta 113.85(3) _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 7.651(2) _cell_length_b 21.790(10) _cell_length_c 6.689(2) _cell_volume 1019.9(7) _diffrn_radiation_type Ag _diffrn_radiation_wavelength 0.5608 _exptl_absorpt_coefficient_mu 0.997 _exptl_crystal_density_diffrn 2.128 _exptl_crystal_F_000 652 _[local]_cod_data_source_file pa9258.cif _[local]_cod_data_source_block pa0258_structure_1_of_1 _[local]_cod_cif_authors_sg_H-M 'P 21/n' _[local]_cod_chemical_formula_sum_orig 'H26 N4 O20 P4 Te1' _cod_original_cell_volume 1020.0(10) _cod_database_code 2000580 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Te .0 .0 .0 P(1) .53030(10) .78307(4) .01560(10) P(2) .62690(10) .87860(3) .34550(10) O(1) .2736(3) .00410(10) .1386(4) O(2) .5283(3) .56020(10) .3058(4) O(3) .0070(3) .93490(10) .1943(4) O(E11) .8934(4) .68820(10) .3071(4) O(E21) .4441(3) .74790(10) .1443(4) O(E31) .6798(4) .74450(10) -.0341(4) O(E12) .7366(3) .43150(10) .1111(4) O(E22) .4202(3) .89460(10) .2678(4) O(E32) .6820(3) .83590(10) .5498(4) O(L12) .6626(3) .83710(10) .1664(3) N(1) .5767(4) .68370(10) .5463(5) N(2) .6392(4) .0666(2) .3292(5) H(1N1) .056(7) .792(3) .937(8) H(2N1) .835(3) .060(10) .168(9) H(3N1) .078(8) .792(3) .137(9) H(4N1) .507(9) .339(3) .430(10) H(1N2) .520(10) .042(3) .250(10) H(2N2) .890(10) .577(4) .040(10) H(3N2) .730(10) .050(4) .310(10) H(4N2) .629(9) .102(3) .250(10) H(1) .317(8) .963(3) .177(9) H(2) .062(8) .052(3) .325(9) H(3) .890(10) .938(3) .250(10) H(P1) .777(8) .221(3) .456(9) H(P2) .206(8) .194(3) .423(9) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance N(1) H(1N1) .87(6) N(1) H(2N1) .78(7) N(1) H(3N1) .80(6) N(1) H(4N1) .87(7) N(2) H(1N2) 1.03(6) N(2) H(2N2) .99(9) N(2) H(3N2) .85(9) N(2) H(4N2) .94(7) O(1) H(1) .95(6) O(2) H(2) .89(5) O(3) H(3) 1.06(9) O(E31) H(P1) .71(6) O(E32) H(P2) 1.03(6) P(1) O(E11) 1.501(2) P(1) O(E21) 1.491(3) P(1) O(E31) 1.560(3) O(L12) P(1) 1.613(2) P(2) O(E12) 1.502(2) P(2) O(E22) 1.493(2) P(2) O(E32) 1.563(2) O(L12) P(2) 1.610(3) Te O(1) 1.919(2) Te O(2) 1.919(3) Te O(3) 1.909(2)