#------------------------------------------------------------------------------ #$Date: 2009-11-18 16:56:34 +0200 (Wed, 18 Nov 2009) $ #$Revision: 858 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9000126.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_9000126 _space_group_IT_number 130 _symmetry_space_group_name_Hall '-P 4a 2ac' _symmetry_space_group_name_H-M 'P 4/n c c :2' _[local]_cod_cif_authors_sg_H-M 'P 4/n c c' loop_ _publ_author_name 'Ross M' 'Evans H T' _publ_section_title ; Studies of the torbernite minerals (I): The crystal structure of abernathyite and the structurally related compounds NH4(UO2AsO4).3H2O and K(H3O)(UO2AsO4)2.6H2O ; _journal_name_full 'American Mineralogist' _journal_page_first 1578 _journal_page_last 1602 _journal_volume 49 _journal_year 1964 _chemical_formula_sum 'As H4 K O9 U' _[local]_cod_chemical_formula_sum_orig 'As U O9 K H4' _chemical_name_mineral Abernathyite _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 7.176 _cell_length_b 7.176 _cell_length_c 18.126 _cell_volume 933.398 loop_ _symmetry_equiv_pos_as_xyz x,y,z 1/2-y,1/2-x,1/2+z 1/2+y,1/2+x,1/2-z 1/2+y,-x,-z 1/2-y,x,z x,1/2-y,1/2+z -x,1/2+y,1/2-z 1/2+x,1/2+y,-z 1/2-x,1/2-y,z y,x,1/2+z -y,-x,1/2-z -y,1/2+x,-z y,1/2-x,z 1/2-x,y,1/2+z 1/2+x,-y,1/2-z -x,-y,-z loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv As 0.75000 0.25000 0.00000 1.00000 0.02330 U 0.25000 0.25000 0.05140 1.00000 0.02406 Oa 0.25000 0.25000 0.15150 1.00000 0.03787 Ob 0.25000 0.25000 0.95750 1.00000 0.03141 Oc 0.69630 0.07290 0.44330 1.00000 0.03483 O-Hd 0.16500 0.98760 0.31540 0.75000 0.04699 K 0.16500 0.98760 0.31540 0.25000 0.04699