data_global _chemical_name_mineral 'Sinkankasite' loop_ _publ_author_name 'Burns P C' 'Hawthorne F C' _journal_name_full 'American Mineralogist' _journal_volume 80 _journal_year 1995 _journal_page_first 620 _journal_page_last 627 _publ_section_title ; The crystal structure of sinkankasite, a complex heteropolyhedral sheet mineral ; _database_code_amcsd 0001744 _chemical_compound_source 'Barker pegmatite, near Keystone, Pennington County, South Dakota, USA' _chemical_formula_sum 'Mn P2 Al O15 H15' _cell_length_a 9.590 _cell_length_b 9.818 _cell_length_c 6.860 _cell_angle_alpha 108.04 _cell_angle_beta 99.63 _cell_angle_gamma 98.87 _cell_volume 590.695 _exptl_crystal_density_diffrn 2.243 _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 Mn 0.28870 0.95200 0.68210 ? P1 0.29710 0.65660 0.26060 ? P2 0.29140 0.25660 0.10380 ? Al1 0.50000 0.50000 0.50000 ? Al2 0.50000 0.50000 0.00000 ? O1 0.28990 0.81560 0.36140 ? O2 0.39090 0.64260 0.10030 ? O3 0.34760 0.58730 0.42190 ? O4 0.38570 0.31010 0.32590 ? O5 0.34580 0.34740 -0.02300 ? O6 0.27860 0.09380 0.99370 ? O-h1 0.13630 0.57400 0.14380 ? O-h2 0.57890 0.51650 0.27610 ? O-h3 0.13510 0.28260 0.12250 ? OW1 0.29670 0.76770 0.78870 ? OW2 0.51860 0.00400 0.75960 ? OW3 0.29300 0.14050 0.57980 ? OW4 0.05730 0.88870 0.59720 ? OW5 0.08340 0.91860 0.13650 ? OW6 -0.09070 0.59320 0.41460 ? H1 0.10600 0.47000 0.07300 0.03000 H2 0.67800 0.54700 0.35100 0.03000 H3 0.06300 0.19300 0.05500 0.03000 H4 0.37900 0.73700 0.74000 0.03000 H5 0.29000 0.66700 0.71000 0.03000 H6 0.59100 0.07100 0.73200 0.03000 H7 0.58000 -0.04100 0.83400 0.03000 H8 0.39700 0.16000 0.61300 0.03000 H9 0.28800 0.23300 0.67600 0.03000 H10 0.01500 0.78500 0.54500 0.03000 H11 0.00000 0.94700 0.67500 0.03000 H12 0.13900 0.85800 0.18600 0.03000 H13 0.08100 0.99800 0.25900 0.03000 H14 -0.14800 0.52700 0.46500 0.03000 H15 -0.06700 0.51000 0.31900 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 Mn 0.02400 0.01840 0.00390 0.00510 0.00540 0.00650 P1 0.01860 0.01610 0.00410 0.00590 0.00410 0.00730 P2 0.01870 0.01320 0.00380 0.00190 0.00400 0.00580 Al1 0.01490 0.01230 0.00010 0.00300 0.00260 0.00560 Al2 0.01900 0.01350 0.00010 0.00500 0.00490 0.00650 O1 0.03280 0.01920 0.00720 0.01130 0.00800 0.00790 O2 0.03120 0.02270 0.00230 0.01040 0.00970 0.01050 O3 0.02250 0.02020 0.00220 0.00630 0.00490 0.00980 O4 0.02610 0.01560 0.00410 0.00030 0.00290 0.00720 O5 0.02930 0.01830 0.00480 0.00210 0.00390 0.01020 O6 0.02950 0.01720 0.00760 0.00530 0.00660 0.00770 O-h1 0.02110 0.03030 0.02400 0.00390 -0.00010 0.01250 O-h2 0.01900 0.01760 0.00010 0.00390 0.00360 0.00740 O-h3 0.02500 0.02240 0.01280 -0.00050 0.00520 0.00630 OW1 0.05050 0.02740 0.01170 0.01550 0.01280 0.01210 OW2 0.02550 0.03560 0.03540 0.00580 0.00710 0.02910 OW3 0.03970 0.02320 0.00580 0.00230 0.00510 0.00710 OW4 0.02910 0.03540 0.03080 0.00810 0.01210 0.01150 OW5 0.02560 0.03070 0.01940 0.00530 0.00260 0.01450 OW6 0.06590 0.05420 0.06200 -0.00240 0.02220 0.02120