#------------------------------------------------------------------------------ #$Date: 2016-02-14 14:26:36 +0000 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: svn://www.crystallography.net/cod/cif/2/00/03/2000341.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_2000341 loop_ _publ_author_name 'Effenberger, H.' _publ_section_title ; Structure refinement of Co~3~(OH)~2~(PO~3~OH)~2~ and Co[PO~2~(OH)~2~]~2~.2H~2~O ; _journal_issue 12 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 2104 _journal_page_last 2107 _journal_paper_doi 10.1107/S0108270192002920 _journal_volume 48 _journal_year 1992 _chemical_formula_sum 'Co3 H4 O10 P2' _chemical_formula_weight 402.77 _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 117.88(2) _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 7.524(2) _cell_length_b 7.512(2) _cell_length_c 7.395(2) _cell_volume 369.45(18) _diffrn_radiation_type Mo _diffrn_radiation_wavelength 0.71073 _exptl_absorpt_coefficient_mu 6.9 _exptl_crystal_density_diffrn 3.621 _exptl_crystal_F_000 390 _cod_data_source_file bx0567.cif _cod_data_source_block bx0567a _cod_original_cell_volume 369.45 _cod_original_formula_sum 'H4 Co3 O10 P2' _cod_database_code 2000341 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Co(1) .0 .0 .0 .00970(10) Co(2) .74331(3) .27465(3) .01793(3) .01030(10) P .23456(6) .38207(5) .23612(5) .00860(10) O(1) .1830(2) .5145(2) .3587(2) .0136(5) O(2) .3262(2) .4715(2) .1138(2) .0118(5) O(3) .0563(2) .2651(2) .1061(2) .0135(5) O(h4) .4096(2) .2545(2) .3912(2) .0139(5) O(h5) .7456(2) .3694(2) .2756(2) .0112(5) H(h1) .382(5) .196(4) .459(5) .051(9) H(h2) .664(4) .427(3) .253(3) .010(5)