data_global _chemical_name_mineral 'Hughesite' loop_ _publ_author_name 'Rakovan J' 'Schmidt G R' 'Gunter M E' 'Nash B' 'Marty J' 'Kampf A R' 'Wise W S' _journal_name_full 'The Canadian Mineralogist' _journal_volume 49 _journal_year 2011 _journal_page_first 1253 _journal_page_last 1265 _publ_section_title ; Hughesite, Na3Al(V10O28)*22H2O, a new member of the pascoite family of minerals from the Sunday mine, San Miguel county, Colorado ; _database_code_amcsd 0018981 _chemical_compound_source 'Sunday mine, San Miguel county, Colorado' _chemical_formula_sum 'Na3 Al V10 O50 H44' _cell_length_a 8.668 _cell_length_b 10.295 _cell_length_c 12.908 _cell_angle_alpha 105.826 _cell_angle_beta 97.899 _cell_angle_gamma 103.385 _cell_volume 1053.064 _exptl_crystal_density_diffrn 2.286 _symmetry_space_group_name_H-M 'P -1' loop_ _space_group_symop_operation_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_U_iso_or_equiv Na1 0.50000 0.00000 0.00000 0.01380 Na2 0.08400 -0.23409 0.91567 0.04500 Al1 0.50000 0.50000 0.50000 0.03080 V1 0.19664 0.07252 0.53427 0.01250 V2 0.00684 -0.01910 0.70657 0.01400 V3 0.05702 -0.24605 0.51040 0.01300 V4 0.13793 0.29976 0.72602 0.01590 V5 0.23092 -0.15303 0.33568 0.01500 O1 0.07770 -0.33800 0.59060 0.02050 O2 0.03060 -0.11140 0.78610 0.02180 O3 0.29350 0.22560 0.63990 0.01520 O4 0.14260 0.15460 0.78720 0.01600 O5 0.06390 -0.30000 0.24260 0.01640 O6 0.33880 0.02670 0.46790 0.01630 O7 0.12050 0.16910 0.43340 0.01160 O8 0.38530 -0.18110 0.28870 0.02390 O9 0.17560 -0.05370 0.61750 0.01190 O10 0.23180 -0.24360 0.44510 0.01550 O11 -0.09370 -0.37130 0.39120 0.01530 O12 -0.17960 0.02510 0.73240 0.01640 O13 0.02360 -0.09720 0.41640 0.01230 O14 0.26030 0.43540 0.81770 0.02730 O15 0.34010 -0.23400 0.86780 0.04700 O16 -0.15770 -0.22840 0.98170 0.03610 O17 0.23940 -0.00980 0.05680 0.03430 O18 0.13350 -0.37680 0.02980 0.04200 O19 0.32400 0.36490 0.39380 0.02190 O20 0.36410 0.55260 0.59670 0.02250 O21 0.46530 0.63480 0.43360 0.02210 O22 -0.09070 -0.42580 0.74430 0.03140 O23 0.44480 0.12950 0.88390 0.05400 O24 0.39100 -0.49460 0.08440 0.09700 O25 0.44480 0.83610 0.68530 0.03390 H15A 0.36500 -0.23400 0.81600 0.09000 H15B 0.39500 -0.27600 0.89100 0.14000 H16A -0.22900 -0.29200 0.95400 0.02000 H16B -0.14700 -0.20900 0.04800 0.02000 H17A 0.22200 -0.00700 0.11900 0.03000 H17B 0.20900 0.05300 0.05400 0.02000 H18A 0.11700 -0.34700 0.08500 0.06000 H18B 0.20900 -0.41100 0.04200 0.11000 H19A 0.26400 0.30800 0.40400 0.04000 H19B 0.26900 0.39400 0.35300 0.01000 H20A 0.28900 0.51400 0.59000 0.01000 H20B 0.38500 0.64600 0.63800 0.05000 H21A 0.53100 0.67200 0.40800 0.02000 H21B 0.38500 0.66700 0.43300 0.02000 H22A -0.09300 -0.48600 0.75400 0.02000 H22B 0.01800 -0.40900 0.69300 0.17000 H23A 0.36900 0.14000 0.85100 0.07000 H23B 0.49200 0.13100 0.84800 0.02000 H24A 0.44300 -0.41300 0.05400 0.06000 H24B 0.41400 -0.55400 0.16000 0.08000 H25A 0.54400 0.87300 0.69000 0.07000 H25B 0.40400 0.87700 0.67500 0.03000 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 Na1 0.01170 0.01100 0.02100 0.00390 0.00630 0.00930 Na2 0.03100 0.06600 0.04200 0.01000 0.00800 0.02400 Al1 0.03600 0.03300 0.02700 0.01000 0.00660 0.01490 V1 0.00990 0.01330 0.01610 0.00300 0.00310 0.00720 V2 0.01850 0.01410 0.01230 0.00590 0.00450 0.00730 V3 0.01480 0.01240 0.01610 0.00610 0.00560 0.00820 V4 0.01740 0.01410 0.01570 0.00450 0.00340 0.00390 V5 0.01510 0.01820 0.01770 0.00770 0.00770 0.00850 O1 0.02300 0.02100 0.02400 0.00900 0.00800 0.01400 O2 0.03000 0.02000 0.02200 0.01000 0.00900 0.01400 O3 0.01100 0.01500 0.01900 0.00200 0.00200 0.00800 O4 0.02000 0.01400 0.01400 0.00500 0.00300 0.00500 O5 0.02100 0.01400 0.01500 0.00800 0.00500 0.00500 O6 0.01000 0.01800 0.02000 0.00400 0.00400 0.00700 O7 0.01200 0.01000 0.01300 0.00300 0.00500 0.00500 O8 0.02500 0.02900 0.02600 0.01500 0.01200 0.01400 O9 0.01300 0.01100 0.01300 0.00300 0.00100 0.00700 O10 0.01700 0.01500 0.01700 0.00800 0.00700 0.00700 O11 0.01400 0.01400 0.01900 0.00500 0.00400 0.00600 O12 0.01700 0.01900 0.01600 0.00600 0.00700 0.01100 O13 0.00900 0.01500 0.01500 0.00300 0.00300 0.00900 O14 0.02700 0.02200 0.02600 0.00100 0.00300 0.00200 O15 0.05400 0.05400 0.04400 0.02300 0.02100 0.01900 O16 0.04500 0.04000 0.02000 0.00900 0.01100 0.00700 O17 0.04400 0.03900 0.02900 0.02100 0.01700 0.01500 O18 0.06100 0.04900 0.02800 0.02900 0.01500 0.01700 O19 0.01600 0.02000 0.02900 -0.00100 0.00100 0.01500 O20 0.01500 0.01800 0.03300 0.00100 0.01200 0.00700 O21 0.01800 0.02000 0.03800 0.00800 0.01200 0.02100 O22 0.04000 0.02400 0.03600 0.01100 0.01100 0.01800 O23 0.03700 0.10200 0.05000 0.03400 0.01900 0.04800 O24 0.05700 0.07700 0.14700 0.00900 -0.00400 0.04100 O25 0.03200 0.02700 0.04100 0.00800 0.00500 0.01100