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data_100446-ICSD _database_code_ICSD 100446 _audit_creation_date '1984-10-29 00:00:00' _chemical_name_systematic 'Cobalt hydroxide arsenate' _chemical_formula_structural 'Co2 (O H) As O4' _chemical_formula_sum 'H1 As1 Co2 O5' _publ_section_title 'H1 As1 Co2 O5' loop_ _citation_id _citation_journal_abbrev _citation_year _citation_journal_volume _citation_page_first _citation_page_last _citation_journal_id_ASTM primary 'Neues Jahrbuch fuer Mineralogie. Abhandlungen (Band-Nr) (1950-)' 1979 134 147 156 NJMIAK loop_ _publ_author_name 'Keller, P.;Hess, H.;Zettler, F.' _cell_length_a 8.286(2) _cell_length_b 8.594(2) _cell_length_c 6.051(1) _cell_angle_alpha 90. _cell_angle_beta 90. _cell_angle_gamma 90. _cell_volume 430.89 _cell_formula_units_Z 4 _symmetry_space_group_name_H-M 'P n n m' _symmetry_Int_Tables_number 58 _refine_ls_R_factor_all 0.046000 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x+1/2, -y+1/2, z+1/2' 2 '-x+1/2, y+1/2, z+1/2' 3 'x, y, -z' 4 '-x, -y, -z' 5 '-x+1/2, y+1/2, -z+1/2' 6 'x+1/2, -y+1/2, -z+1/2' 7 '-x, -y, z' 8 'x, y, z' loop_ _atom_type_symbol _atom_type_oxidation_number Co2+ 2 As5+ 5 O2- -2 H1+ 1 loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_Wyckoff_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_B_iso_or_equiv _atom_site_occupancy Co1 Co2+ 4 e 0 0 0.2466(5) 0.57 1. Co2 Co2+ 4 g 0.3644(3) 0.1346(3) 0.5 0.57 1. As1 As5+ 4 g 0.2475(3) 0.2551(3) 0 0.54 1. O1 O2- 4 g 0.3910(15) 0.3720(16) 0.5 0.73 1. O2 O2- 4 g 0.4520(13) 0.3518(15) 0 0.75 1. O3 O2- 4 g 0.1012(14) 0.3932(14) 0 0.89 1. O4 O2- 8 h 0.2299(9) 0.1392(10) 0.2243(12) 0.77 1. H1 H1+ 4 g 0. 1. #End of data_100446-ICSD |
2Â¥2007-12-05 18:52:02
zx53376876
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3Â¥2007-12-05 22:03:20














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