data_9004755 _chemical_name 'Zippeite' loop_ _publ_author_name 'Burns P C' 'Deely K M' 'Hayden L A' _journal_name_full "The Canadian Mineralogist" _journal_volume 41 _journal_year 2003 _journal_page_first 687 _journal_page_last 706 _publ_section_title ; The crystal chemistry of the zippeite group Sample : Sodium-zippeite ; _chemical_formula_sum 'U8 S4 Na5 O52 H27' _cell_length_a 17.6425 _cell_length_b 14.6272 _cell_length_c 17.6922 _cell_angle_alpha 90 _cell_angle_beta 104.461 _cell_angle_gamma 90 _cell_volume 4421.006 _symmetry_space_group_name_H-M 'P 1 21/n 1' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '1/2+x,1/2-y,1/2+z' '1/2-x,1/2+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_Uiso_or_equiv U(1) 0.33840 0.23230 0.83770 0.01000 U(2) 0.26030 0.22500 0.00960 0.01100 U(3) 0.58450 0.25630 0.83470 0.01000 U(4) 0.49910 0.26490 0.00900 0.01200 U(5) 0.82570 0.21860 0.83260 0.01300 U(6) 0.75690 0.21680 0.00780 0.01100 U(7) 0.99650 0.24620 0.00910 0.01100 U(8) 0.09420 0.25160 0.83290 0.01100 S(1) 0.92130 0.24500 0.17100 0.00800 S(2) 0.66680 0.24870 0.67130 0.01500 S(3) 0.17140 0.24580 0.67280 0.01300 S(4) 0.42350 0.26040 0.17480 0.01800 Na(1) 0.17950 0.02280 0.67340 0.03600 Na(2) 0.91920 0.03010 0.19160 0.03200 Na(3) 0.67050 0.01450 0.67450 0.04800 Na(4) 0.23600 0.50040 0.99070 0.04600 Na(5) 0.56680 -0.02910 0.81330 0.04300 O(1) 0.71850 0.23770 0.87680 0.01300 O(2) 0.22140 0.24140 0.87790 0.01500 O(3) 0.59540 0.37470 0.86920 0.01800 O(4) 0.86860 0.23770 0.96430 0.02200 O(5) 0.88470 0.31170 0.21540 0.02000 O(6) 0.23090 0.18710 0.72020 0.01900 O(7) 0.20800 0.31490 0.62780 0.01800 O(8) 0.13370 0.30370 0.72130 0.01800 O(9) 0.86240 0.18480 0.12550 0.01800 O(10) 0.47290 0.24500 0.87990 0.01300 O(11) 0.36960 0.26230 0.96830 0.01700 O(12) 0.70850 0.31470 0.62800 0.01900 O(13) 0.33220 0.34960 0.81210 0.02100 O(14) 0.72160 0.18510 0.71400 0.01800 O(15) 0.09300 0.36900 0.86670 0.01900 O(16) 0.38180 0.32550 0.21600 0.01800 O(17) 0.49920 0.15240 0.04070 0.02000 O(18) 0.63580 0.30830 0.72520 0.02100 O(19) 0.47990 0.20560 0.23200 0.02200 O(20) 0.95390 0.30390 0.12010 0.01800 O(21) 0.98040 0.19080 0.22490 0.02000 O(22) 0.36610 0.20080 0.12880 0.02000 O(23) 0.11480 0.19290 0.61480 0.01900 O(24) 0.75460 0.09750 0.99660 0.01900 O(25) 0.45890 0.31690 0.12540 0.02700 O(26) 0.99560 0.36540 0.97670 0.02200 O(27) 0.50490 0.38700 0.99160 0.01500 O(28) 0.24280 0.34110 0.02650 0.01700 O(29) 0.60540 0.20190 0.61210 0.02400 O(30) 0.26830 0.10610 0.99930 0.02000 O(31) 0.00300 0.13250 0.04270 0.02700 O(32) 0.83520 0.33630 0.81480 0.02400 O(33) 0.34370 0.11290 0.85280 0.02300 O(34) 0.57230 0.14370 0.79540 0.02400 O(35) 0.82500 0.09890 0.84450 0.02100 O(36) 0.75280 0.33280 0.02710 0.03000 O(37) 0.08870 0.13920 0.79690 0.01600 O-H(1) 0.61620 0.20710 0.96810 0.01200 O-H(2) 0.11730 0.20520 0.96750 0.01000 O-H(3) 0.97110 0.20250 0.87420 0.01500 Wat(1) 0.78410 0.01220 0.18880 0.03100 Wat(2) 0.04140 0.00530 0.67020 0.02700 Wat(3) 0.69720 -0.02290 0.80790 0.03600 Wat(4) 0.53050 0.00630 0.66830 0.03100 Wat(5) 0.04800 0.00220 0.17880 0.05100 Wat(6) 0.14120 -0.01290 0.53550 0.03800 Wat(7) 0.12040 0.50200 0.03090 0.03400 Wat(8) 0.59900 0.01730 0.95230 0.04200 Wat(9) 0.30890 0.02270 0.65120 0.03300 Wat(10) 0.88850 -0.01890 0.04710 0.03300 Wat(11) 0.79430 0.00690 0.64570 0.04100 Wat(12) 0.43530 -0.02150 0.80360 0.04300