data_9004887 _chemical_name 'Kirchheimerite' loop_ _publ_author_name 'Locock A J' 'Burns P C' 'Flynn M' _journal_name_full "The Canadian Mineralogist" _journal_volume 42 _journal_year 2004 _journal_page_first 1699 _journal_page_last 1718 _publ_section_title ; Divalent transition metals and magnesium in structures that contain the autunite-type sheet Sample: CoUAs12 ; _chemical_formula_sum 'Co U2 As2 O24 H24' _cell_length_a 7.1552 _cell_length_b 7.1586 _cell_length_c 11.2912 _cell_angle_alpha 81.487 _cell_angle_beta 81.410 _cell_angle_gamma 88.891 _cell_volume 565.558 _symmetry_space_group_name_H-M 'P -1' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_Uiso_or_equiv Co 0.00000 0.00000 0.50000 0.02700 U 0.23030 0.73250 0.08000 0.01300 As 0.74620 0.75110 -0.00180 0.01400 O1 0.54390 0.77360 0.09180 0.02000 O2 0.91380 0.69210 0.08540 0.02100 O3 0.80820 0.95350 -0.09610 0.02000 O4 0.72330 0.58490 -0.08910 0.02200 O5 0.27180 0.77670 -0.08040 0.01700 O6 0.18660 0.68780 0.24120 0.02300 Wat1 -0.19420 0.79260 0.47440 0.03500 Wat2 0.21790 0.81240 0.45480 0.03800 Wat3 0.55920 0.92410 0.31340 0.03800 Wat4 0.56060 -0.30200 0.68250 0.04200 Wat5 0.79300 0.46560 0.30680 0.04100 Wat6 0.00220 0.13100 0.32180 0.03800