data_global _chemical_name_mineral 'Serendibite' loop_ _publ_author_name 'Grice J D' 'Belley P M' 'Fayek M' _journal_name_full 'The Canadian Mineralogist' _journal_volume 52 _journal_year 2014 _journal_page_first 1 _journal_page_last 14 _publ_section_title ; Serendibite, a complex chemical borosilicate mineral from Pontiac, Quebec: Description, chemical composition, and crystallographic data ; _database_code_amcsd 0020622 _chemical_compound_source 'Portage-du-Fort area, Pontiac Regional County Municipality, Quebec, Canada' _chemical_formula_sum '(Ca1.898 Na.102) Al4.842 Mg2.733 Si2.827 B1.598 O20' _cell_length_a 10.022 _cell_length_b 10.406 _cell_length_c 8.643 _cell_angle_alpha 106.41 _cell_angle_beta 95.992 _cell_angle_gamma 124.38 _cell_volume 672.788 _exptl_crystal_density_diffrn 3.417 _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_occupancy _atom_site_U_iso_or_equiv Ca8 0.21478 0.62399 0.39756 0.94570 0.01022 Na8 0.21478 0.62399 0.39756 0.05420 0.01022 Ca9 0.64807 0.60219 0.38291 0.95260 0.01147 Na9 0.64807 0.60219 0.38291 0.04740 0.01147 Al1 0.00000 0.00000 0.50000 0.93500 0.00617 Mg1 0.00000 0.00000 0.50000 0.06500 0.00617 Al2 0.00000 0.50000 0.00000 0.84300 0.00615 Mg2 0.00000 0.50000 0.00000 0.15700 0.00615 Al3 0.31186 0.85618 0.17249 0.71400 0.00729 Mg3 0.31186 0.85618 0.17249 0.28600 0.00729 Al4 0.77825 0.82278 0.14588 0.64300 0.00791 Mg4 0.77825 0.82278 0.14588 0.35700 0.00791 Mg5 0.09510 0.94408 0.06183 1.00000 0.00527 Mg6 0.59376 0.93924 0.05705 0.84900 0.00585 Al6 0.59376 0.93924 0.05705 0.15100 0.00585 Al7 0.99861 0.74106 0.25869 0.87000 0.00635 Mg7 0.99861 0.74106 0.25869 0.13000 0.00635 Si2 0.98328 0.22742 0.34099 0.84000 0.00748 AlSi2 0.98328 0.22742 0.34099 0.16000 0.00748 B1 0.46493 0.23511 0.32967 0.62200 0.00789 Si1 0.46493 0.23511 0.32967 0.37800 0.00789 Al3 0.78548 0.34413 0.23250 0.73800 0.00623 Si3 0.78548 0.34413 0.23250 0.26200 0.00623 B4 0.26955 0.33018 0.21973 0.97600 0.00760 Si4 0.26955 0.33018 0.21973 0.02400 0.00760 Al5 0.64358 0.94376 0.44299 0.50800 0.00949 Si5 0.64358 0.94376 0.44299 0.49200 0.00949 Si6 0.35643 0.55472 0.05380 0.83100 0.00682 Al6 0.35643 0.55472 0.05380 0.16900 0.00682 O1 0.35267 0.06425 0.17242 1.00000 0.01090 O2 0.84330 0.04817 0.16745 1.00000 0.00960 O3 0.54009 0.95434 0.28672 1.00000 0.01510 O4 0.01507 0.93475 0.27690 1.00000 0.00840 O5 0.24008 0.86637 0.38013 1.00000 0.01010 O6 0.76330 0.88112 0.38216 1.00000 0.00950 O7 0.49056 0.21044 0.49464 1.00000 0.01310 O8 0.95735 0.78823 0.48137 1.00000 0.00890 O9 0.90003 0.32666 0.38039 1.00000 0.01100 O10 0.38423 0.32646 0.34502 1.00000 0.01080 O11 0.65067 0.16270 0.04627 1.00000 0.01060 O12 0.16086 0.17655 0.06163 1.00000 0.00930 O13 0.53770 0.71128 0.04842 1.00000 0.01180 O14 0.06852 0.72596 0.06336 1.00000 0.00850 O15 0.24043 0.61578 0.11701 1.00000 0.00920 O16 0.75362 0.61410 0.13551 1.00000 0.01050 O17 0.39002 0.48764 0.19354 1.00000 0.00920 O18 0.95140 0.52591 0.21501 1.00000 0.00990 O19 0.16629 0.35950 0.31304 1.00000 0.01150 O20 0.65566 0.36844 0.33290 1.00000 0.01360 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 Ca8 0.01225 0.01154 0.00972 0.00824 0.00485 0.00551 Na8 0.01225 0.01154 0.00972 0.00824 0.00485 0.00551 Ca9 0.00732 0.01222 0.01256 0.00444 0.00317 0.00626 Na9 0.00732 0.01222 0.01256 0.00444 0.00317 0.00626 Al1 0.00644 0.00646 0.00540 0.00410 0.00160 0.00224 Mg1 0.00644 0.00646 0.00540 0.00410 0.00160 0.00224 Al2 0.00621 0.00596 0.00600 0.00368 0.00233 0.00226 Mg2 0.00621 0.00596 0.00600 0.00368 0.00233 0.00226 Al3 0.00644 0.00921 0.00718 0.00513 0.00278 0.00380 Mg3 0.00644 0.00921 0.00718 0.00513 0.00278 0.00380 Al4 0.00765 0.00875 0.00810 0.00533 0.00306 0.00375 Mg4 0.00765 0.00875 0.00810 0.00533 0.00306 0.00375 Mg5 0.00494 0.00678 0.00627 0.00400 0.00289 0.00414 Mg6 0.00438 0.00672 0.00762 0.00346 0.00243 0.00423 Al6 0.00438 0.00672 0.00762 0.00346 0.00243 0.00423 Al7 0.00683 0.00612 0.00609 0.00411 0.00222 0.00234 Mg7 0.00683 0.00612 0.00609 0.00411 0.00222 0.00234 Si2 0.00743 0.00740 0.00692 0.00432 0.00187 0.00300 AlSi2 0.00743 0.00740 0.00692 0.00432 0.00187 0.00300 B1 0.00920 0.00750 0.00727 0.00551 0.00240 0.00280 Si1 0.00920 0.00750 0.00727 0.00551 0.00240 0.00280 Al3 0.00648 0.00599 0.00577 0.00369 0.00151 0.00254 Si3 0.00648 0.00599 0.00577 0.00369 0.00151 0.00254 B4 0.00780 0.00700 0.00600 0.00340 0.00210 0.00330 Si4 0.00780 0.00700 0.00600 0.00340 0.00210 0.00330 Al5 0.00842 0.00860 0.00942 0.00507 0.00282 0.00189 Si5 0.00842 0.00860 0.00942 0.00507 0.00282 0.00189 Si6 0.00695 0.00678 0.00629 0.00423 0.00227 0.00226 Al6 0.00695 0.00678 0.00629 0.00423 0.00227 0.00226 O1 0.01050 0.01160 0.01070 0.00760 0.00270 0.00340 O2 0.01070 0.01080 0.00790 0.00720 0.00340 0.00360 O3 0.01270 0.01250 0.01480 0.00680 0.00540 0.00150 O4 0.00870 0.00790 0.00750 0.00460 0.00350 0.00280 O5 0.00970 0.00920 0.00960 0.00530 0.00160 0.00330 O6 0.00770 0.00860 0.01100 0.00470 0.00210 0.00410 O7 0.01310 0.01160 0.01380 0.00630 0.00790 0.00620 O8 0.00850 0.00780 0.01030 0.00490 0.00280 0.00410 O9 0.01460 0.01170 0.00890 0.00940 0.00360 0.00430 O10 0.01000 0.01100 0.00920 0.00570 0.00140 0.00440 O11 0.00910 0.01080 0.01170 0.00620 0.00370 0.00410 O12 0.00870 0.00780 0.00820 0.00490 0.00008 0.00102 O13 0.01360 0.01140 0.01120 0.00830 0.00480 0.00400 O14 0.00950 0.00850 0.00780 0.00570 0.00270 0.00350 O15 0.00880 0.01070 0.00830 0.00630 0.00300 0.00370 O16 0.00837 0.01000 0.00810 0.00410 0.00260 0.00180 O17 0.00990 0.00820 0.00970 0.00520 0.00330 0.00480 O18 0.01050 0.01060 0.00900 0.00650 0.00290 0.00450 O19 0.01140 0.00980 0.01210 0.00570 0.00690 0.00400 O20 0.01790 0.01720 0.01040 0.01360 0.00550 0.00480