#------------------------------------------------------------------------------ #$Date: 2023-03-26 11:09:57 +0300 (Sun, 26 Mar 2023) $ #$Revision: 282068 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/01/18/9011824.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided the American Mineralogist Crystal Structure Database, # http://rruff.geo.arizona.edu/AMS/amcsd.php # # 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_9011824 loop_ _publ_author_name 'Locock, A. J.' 'Burns, P. C.' _publ_section_title ;The structure of hugelite, an arsenate of the phosphuranylite group, and its relationship to dumontite Locality: Michael Mine, Weiler, Lahr, Black Forest, Baden-Wurttemburg, Germany Note: x(O11) corrected ; _journal_name_full 'Mineralogical Magazine' _journal_page_first 1109 _journal_page_last 1120 _journal_paper_doi 10.1180/0026461036750146 _journal_volume 67 _journal_year 2003 _chemical_compound_source 'Michael Mine, Weiler, Lahr, Black Forest, Baden-Wurttemburg, Germany' _chemical_formula_sum 'As2 H10 O21 Pb2 U3' _chemical_name_mineral Hugelite _space_group_IT_number 11 _symmetry_space_group_name_Hall '-P 2yb' _symmetry_space_group_name_H-M 'P 1 21/m 1' _cell_angle_alpha 90 _cell_angle_beta 96.492 _cell_angle_gamma 90 _cell_length_a 31.066 _cell_length_b 17.303 _cell_length_c 7.043 _cell_volume 3761.583 _database_code_amcsd 0014569 _exptl_crystal_density_diffrn 5.737 _cod_original_formula_sum 'Pb2 U3 As2 O21 H10' _cod_database_code 9011824 loop_ _space_group_symop_operation_xyz x,y,z x,1/2-y,z -x,1/2+y,-z -x,-y,-z loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Pb1 0.02000 0.02100 0.02700 0.00100 0.00200 -0.00100 Pb2 0.01700 0.02200 0.02900 0.00000 0.00200 -0.00100 Pb3 0.01900 0.02200 0.02700 0.00000 0.00200 -0.00200 Pb4 0.01400 0.02400 0.02900 -0.00100 0.00100 -0.00100 U1 0.01100 0.01800 0.01100 0.00000 0.00000 0.00000 U2 0.01400 0.01600 0.01000 0.00000 0.00000 0.00000 U3 0.01700 0.01300 0.01100 0.00000 0.00200 0.00000 U4 0.01900 0.01100 0.01000 0.00000 -0.00100 0.00000 U5 0.00800 0.01200 0.01100 0.00000 0.00000 0.00000 U6 0.01400 0.00900 0.01100 0.00000 0.00200 -0.00100 U7 0.01400 0.00700 0.01200 -0.00100 0.00200 0.00100 U8 0.01500 0.00800 0.01100 0.00000 0.00200 -0.00100 As1 0.01600 0.00400 0.01500 -0.00200 0.00000 -0.00600 As2 0.01700 0.00900 0.01700 -0.00100 0.00100 0.00100 As3 0.01900 0.00700 0.00900 -0.00100 -0.00300 -0.00200 As4 0.02200 0.01800 0.01000 0.00200 0.00500 0.00200 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Pb1 -0.36240 0.60650 -0.00370 0.02300 Pb2 -0.13770 0.39380 0.50370 0.02300 Pb3 -0.38770 0.39380 0.75410 0.02300 Pb4 -0.11220 0.60620 0.74650 0.02200 U1 0.02400 0.75000 0.27500 0.01300 U2 -0.22610 0.75000 0.52470 0.01400 U3 -0.27410 0.25000 -0.02510 0.01400 U4 -0.47610 0.75000 -0.22470 0.01400 U5 0.02160 0.64460 0.77480 0.01100 U6 -0.22850 0.64460 0.02490 0.01100 U7 -0.27150 0.35530 0.47480 0.01100 U8 -0.47850 0.64450 -0.72570 0.01100 As1 0.02810 0.55240 0.28160 0.01200 As2 -0.22170 0.55150 0.52980 0.01500 As3 -0.27820 0.44780 -0.02990 0.01200 As4 -0.47190 0.55150 -0.22020 0.01600 O1 0.08070 0.75000 0.33200 0.02200 O2 -0.03440 0.75000 0.21700 0.01600 O3 -0.28490 0.75000 0.47400 0.02800 O4 -0.16780 0.75000 0.57900 0.03900 O5 -0.33120 0.25000 -0.07600 0.02000 O6 -0.21710 0.25000 0.02600 0.01900 O7 -0.53200 0.75000 -0.26500 0.03100 O8 -0.41610 0.75000 -0.17200 0.02500 O9 0.07820 0.63640 0.76600 0.03000 O10 -0.03620 0.65090 0.75700 0.01800 O11 -0.28770 0.64880 0.02700 0.01600 O12 -0.16880 0.63420 0.02100 0.00600 O13 -0.32950 0.36450 0.45600 0.03300 O14 -0.21240 0.35260 0.45500 0.01200 O15 -0.53490 0.64890 -0.71500 0.03300 O16 -0.42200 0.63040 -0.74300 0.02000 O17 0.02450 0.75000 0.59300 0.00200 O18 0.02700 0.75000 -0.04500 0.01600 O19 0.02670 0.61960 0.10800 0.00600 O20 0.01840 0.61440 0.45200 0.02600 O21 -0.23120 0.75000 -0.16500 0.02300 O22 -0.21710 0.75000 0.21200 0.01000 O23 -0.23250 0.62160 0.68700 0.00500 O24 -0.21750 0.61310 0.34800 0.02400 O25 -0.27680 0.25000 0.28800 0.00900 O26 -0.27030 0.25000 0.65200 0.00800 O27 -0.26810 0.38690 -0.19900 0.02600 O28 -0.28780 0.38790 0.14500 0.01500 O29 -0.46740 0.75000 -0.54000 0.02100 O30 -0.48710 0.75000 0.08300 0.01500 O31 -0.49290 0.61520 -0.05510 0.01400 O32 -0.46500 0.62040 -0.38700 0.02700 O33 0.07520 0.50790 0.35800 0.01700 O34 -0.01410 0.49020 0.24600 0.01400 O35 -0.17270 0.51230 0.56670 0.01400 O36 -0.26250 0.49090 0.46100 0.01400 O37 -0.23810 0.50720 0.02500 0.02000 O38 -0.32680 0.48810 -0.09800 0.01700 O39 -0.51190 0.49030 -0.28300 0.01400 O40 -0.42600 0.50520 -0.13400 0.03200 Wat41 -0.35230 0.75000 0.18200 0.01300 Wat42 -0.14230 0.25000 0.29200 0.05300 Wat43 -0.39400 0.25000 0.57100 0.03900 Wat44 -0.10440 0.75000 0.93300 0.01700 Wat45 -0.16030 0.44790 0.17300 0.03600 Wat46 -0.33960 0.54920 0.32700 0.03100 Wat47 -0.09250 0.54860 0.08300 0.03200 Wat48 -0.40860 0.44340 0.38600 0.03500 Wat49 -0.40380 0.34310 0.10000 0.04300 Wat50 -0.10200 0.67130 0.40300 0.03500 Wat51 -0.35240 0.64820 -0.36000 0.06400 Wat52 -0.13780 0.34770 0.86500 0.03400 loop_ _cod_related_entry_id _cod_related_entry_database _cod_related_entry_code 1 AMCSD 0014569