data_global _chemical_name_mineral 'Brandholzite' loop_ _publ_author_name 'Friedrich A' 'Wildner M' 'Tillmanns E' 'Merz P L' _journal_name_full 'American Mineralogist' _journal_volume 85 _journal_year 2000 _journal_page_first 593 _journal_page_last 599 _publ_section_title ; Crystal chemistry of the new mineral brandholzite, Mg(H2O)6[Sb(OH)6]2, and of the synthetic analogues M(H2O)6[Sb(OH)6]2 (Me=Mg,Co) ; _database_code_amcsd 0002426 _chemical_formula_sum 'Sb2 Mg H24 O18' _cell_length_a 16.119 _cell_length_b 16.119 _cell_length_c 9.868 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 2220.424 _exptl_crystal_density_diffrn 2.602 _symmetry_space_group_name_H-M 'P 3' loop_ _space_group_symop_operation_xyz 'x,y,z' '-y,x-y,z' '-x+y,-x,z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Sb1 0.00000 0.00000 0.00000 0.01090 Sb2 0.66667 0.33333 -0.08211 0.01070 Sb3 0.33333 0.66667 0.00883 0.01040 Sb4 0.00000 0.00000 0.49757 0.01030 Sb5 0.66667 0.33333 0.42305 0.01010 Sb6 0.33333 0.66667 0.50490 0.01000 Sb7 0.32739 -0.00737 0.47077 0.01130 Sb8 0.66781 0.00662 0.45371 0.01080 Mg1 0.33825 0.00882 -0.03108 0.01420 Mg2 0.66274 -0.00884 -0.04466 0.01490 H21 0.52800 0.29700 0.55500 0.03700 H22 0.57500 0.18500 0.32800 0.03700 H23 0.27100 0.51300 0.60700 0.03700 H24 0.36000 0.80600 0.37500 0.03700 H25 0.28600 0.09600 0.35600 0.03700 H26 0.42900 0.14900 0.55800 0.03700 H27 0.47400 0.02500 0.34900 0.03700 H28 0.36300 -0.11000 0.59700 0.03700 H29 0.22100 -0.14500 0.35800 0.03700 H30 0.19800 -0.04600 0.59500 0.03700 H31 0.56800 0.05000 0.57300 0.03700 H32 0.70400 0.14500 0.30800 0.03700 H33 0.81200 0.11600 0.57200 0.03700 H34 0.76900 -0.04200 0.35600 0.03700 H35 0.64300 -0.13400 0.58100 0.03700 H36 0.51400 -0.09600 0.36600 0.03700 H01 0.01700 0.09900 -0.18700 0.03700 H02 0.10100 0.10000 0.18100 0.03700 H03 0.57300 0.23900 -0.26300 0.03700 H04 0.67200 0.23900 0.08500 0.03700 H05 0.32900 0.57100 0.19600 0.03700 H06 0.33700 0.77100 -0.18200 0.03700 H071 0.33000 0.15000 -0.12200 0.03700 H072 0.33900 0.11800 -0.22200 0.03700 H081 0.46400 0.16900 0.07400 0.03700 H082 0.43300 0.10400 0.17800 0.03700 H091 0.44700 0.01000 -0.22800 0.03700 H092 0.49500 0.09000 -0.15300 0.03700 H101 0.34900 -0.08900 0.16900 0.03700 H102 0.36300 -0.12600 0.04000 0.03700 H111 0.23300 -0.10100 -0.25000 0.03700 H112 0.20500 -0.14600 -0.13100 0.03700 H121 0.17800 -0.02300 0.05100 0.03700 H122 0.22800 -0.00300 0.17000 0.03700 H131 0.52900 0.01200 0.04200 0.03700 H132 0.56800 0.00900 0.15300 0.03700 H141 0.67100 0.10600 -0.22900 0.03700 H142 0.68700 0.15400 -0.11400 0.03700 H151 0.81800 0.06000 0.08900 0.03700 H152 0.76500 0.08700 0.15600 0.03700 H161 0.77500 0.00900 -0.24400 0.03700 H162 0.79500 -0.04500 -0.15500 0.03700 H171 0.57600 -0.16200 0.08600 0.03700 H172 0.65400 -0.10900 0.16500 0.03700 H181 0.50000 -0.13600 -0.15800 0.03700 H182 0.55200 -0.10700 -0.25000 0.03700 H19 0.03300 0.13200 0.37200 0.03700 H20 0.15600 0.09600 0.59900 0.03700 O1 0.03350 0.11440 -0.11070 0.01760 O2 0.11320 0.08350 0.11230 0.01860 O3 0.58220 0.22040 -0.19390 0.01720 O4 0.69620 0.24940 0.02830 0.01700 O5 0.30490 0.55430 0.12050 0.01750 O6 0.36350 0.78050 -0.10210 0.01760 O7 0.31470 0.09830 -0.15310 0.02410 O8 0.43110 0.11570 0.09420 0.02770 O9 0.45320 0.03330 -0.15050 0.02040 O10 0.36260 -0.08450 0.08610 0.02080 O11 0.25170 -0.10620 -0.15340 0.02260 O12 0.22270 -0.02060 0.08690 0.02230 O13 0.57620 0.01900 0.07840 0.02330 O14 0.69140 0.11070 -0.15700 0.02070 O15 0.77820 0.07750 0.07510 0.01950 O16 0.75470 -0.02770 -0.17090 0.02180 O17 0.63280 -0.12660 0.07060 0.02310 O18 0.55240 -0.09820 -0.16730 0.02810 O19 0.06480 0.11410 0.37700 0.01570 O20 0.11350 0.04110 0.61270 0.01660 O21 0.55220 0.26930 0.54240 0.01540 O22 0.62180 0.21890 0.30760 0.01730 O23 0.26480 0.55220 0.61890 0.01740 O24 0.39460 0.78090 0.38440 0.01600 O25 0.26070 0.04070 0.35240 0.01930 O26 0.37400 0.11000 0.58070 0.01660 O27 0.44350 0.05640 0.35560 0.01630 O28 0.39650 -0.05100 0.59010 0.01820 O29 0.28030 -0.12360 0.35750 0.01830 O30 0.21170 -0.07340 0.58600 0.01730 O31 0.62150 0.07470 0.57320 0.01770 O32 0.73430 0.11900 0.33350 0.01640 O33 0.78420 0.05950 0.56790 0.01650 O34 0.71000 -0.06520 0.33900 0.01690 O35 0.60740 -0.10730 0.57510 0.01670 O36 0.55000 -0.04130 0.34560 0.01530