data_global _chemical_name_mineral 'Rondorfite' loop_ _publ_author_name 'Rastsvetaeva R K' 'Zadov A E' 'Chukanov N V' _journal_name_full 'Crystallography Reports' _journal_volume 53 _journal_year 2008 _journal_page_first 199 _journal_page_last 205 _publ_section_title ; Crystal structure of low-symmetry rondorfite ; _database_code_amcsd 0012395 _chemical_compound_source 'Kabardino-Balkarian Republic, Northern Caucasus Region, Russia' _chemical_formula_sum 'Ca8 Mg Si4 O16 Cl2' _cell_length_a 15.100 _cell_length_b 15.110 _cell_length_c 15.092 _cell_angle_alpha 90.06 _cell_angle_beta 90.01 _cell_angle_gamma 89.93 _cell_volume 3443.401 _exptl_crystal_density_diffrn 3.025 _symmetry_space_group_name_H-M 'P 1' loop_ _space_group_symop_operation_xyz '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 Ca1 0.24540 0.99480 0.49400 0.00899 Ca2 0.74810 0.99110 -0.00620 0.02318 Ca3 0.23990 0.49540 -0.00290 0.02609 Ca4 0.73800 0.49430 0.49620 0.02419 Ca5 -0.00520 0.74570 -0.00830 0.00671 Ca6 -0.00520 0.49150 0.24410 0.00684 Ca7 0.49840 0.24030 -0.00330 0.02292 Ca8 0.49530 0.73910 0.49690 0.02634 Ca9 -0.00370 0.23900 0.49690 0.02761 Ca10 0.49560 0.49320 0.74060 0.03065 Ca11 0.49650 0.99470 0.24190 0.02723 Ca12 -0.00460 0.99760 0.74000 0.02419 Ca13 0.24390 0.24320 0.74230 0.01165 Ca14 0.74380 0.74330 0.74390 0.02204 Ca15 0.24150 0.74430 0.24510 0.02799 Ca16 0.74330 0.24010 0.24230 0.02723 Ca17 0.90140 0.61710 0.61780 0.02368 Ca18 0.61910 0.61850 0.90380 0.02356 Ca19 0.40370 0.11810 0.61920 0.01786 Ca20 0.40320 0.61790 0.11830 0.01634 Ca21 0.11960 0.11780 0.90230 0.01925 Ca22 0.90250 0.11780 0.11830 0.01621 Ca23 0.11790 0.61830 0.40170 0.01697 Ca24 0.61800 0.11650 0.40210 0.01570 Ca25 0.11850 0.40340 0.61900 0.02812 Ca26 0.11900 0.90210 0.11870 0.01798 Ca27 0.61740 0.90180 0.61730 0.01494 Ca28 0.61930 0.40200 0.11830 0.01570 Ca29 0.11970 0.33420 0.11850 0.01305 Ca30 0.61860 0.33340 0.61770 0.02394 Ca31 0.11620 0.83290 0.61870 0.02343 Ca32 0.61830 0.83220 0.11860 0.02216 Ca33 0.33350 0.11820 0.11930 0.01355 Ca34 0.83330 0.61720 0.11750 0.02305 Ca35 0.83360 0.11730 0.61800 0.02432 Ca36 0.33550 0.61710 0.61740 0.02533 Ca37 0.11790 0.11910 0.33430 0.01039 Ca38 0.11800 0.61600 0.83350 0.02394 Ca39 0.61910 0.11860 0.83330 0.02444 Ca40 0.61830 0.61530 0.33320 0.02356 Ca41 0.36850 0.36760 0.15360 0.02634 Ca42 0.86790 0.36770 0.65310 0.02596 Ca43 0.86890 0.86670 0.15100 0.02520 Ca44 0.36750 0.86770 0.65200 0.02495 Ca45 0.36930 0.65270 0.86840 0.02166 Ca46 0.86770 0.15280 0.87110 0.02647 Ca47 0.65270 0.36790 0.86830 0.02710 Ca48 0.15170 0.86850 0.86860 0.02318 Ca49 0.15270 0.36680 0.36820 0.02520 Ca50 0.36760 0.15170 0.36770 0.02685 Ca51 0.86830 0.65060 0.36640 0.02419 Ca52 0.65350 0.86680 0.36720 0.02280 Ca53 0.36810 0.08430 0.87050 0.02216 Ca54 0.86960 0.08280 0.36790 0.02672 Ca55 0.86860 0.58340 0.86640 0.02976 Ca56 0.36810 0.58390 0.36780 0.02748 Ca57 0.37070 0.36760 0.58420 0.02305 Ca58 0.87000 0.36770 0.08280 0.03179 Ca59 0.58470 0.36790 0.36920 0.02470 Ca60 0.08300 0.86810 0.36820 0.02774 Ca61 0.08370 0.36680 0.86810 0.02862 Ca62 0.36760 0.86720 0.08400 0.02748 Ca63 0.86670 0.86850 0.58370 0.02495 Ca64 0.58460 0.86800 0.86840 0.02799 Mg1 0.87240 0.36780 0.87000 0.01368 Mg2 0.86690 0.86790 0.36920 0.02571 Mg3 0.36480 0.36690 0.36850 0.02406 Mg4 0.36690 0.86820 0.86780 0.02786 Mg5 0.12090 0.61840 0.62050 0.00646 Mg6 0.11990 0.11850 0.11600 0.01330 Mg7 0.61490 0.11590 0.62070 0.02153 Mg8 0.61500 0.61700 0.11870 0.02786 Si1 0.00410 0.50140 -0.00390 0.01089 Si2 0.00450 0.00290 0.50380 0.01583 Si3 0.50530 0.50310 0.50890 0.02634 Si4 0.50440 0.00440 0.00340 0.01178 Si5 0.25890 0.97830 0.25780 0.03306 Si6 0.75480 0.48400 0.25050 0.00861 Si7 0.25400 0.48380 0.75290 0.01254 Si8 0.75090 0.98760 0.75260 0.01279 Si9 0.98010 0.25710 0.25590 0.01456 Si10 0.48630 0.25200 0.75320 0.00456 Sil1 0.75420 0.75570 0.98440 0.01456 Si12 0.98410 0.75100 0.75420 0.02698 Si13 0.25540 0.25400 0.98190 0.00912 Si14 0.75260 0.25210 0.48490 0.02508 Si15 0.25360 0.74630 0.48990 0.02913 Si16 0.48940 0.75100 0.25030 0.02622 Si17 0.50870 0.23030 0.23210 0.01418 Si18 0.00130 0.73280 0.23320 0.02153 Si19 0.00080 0.23750 0.73710 0.02204 Si20 0.50330 0.73690 0.73660 0.02267 Si21 0.22900 0.72970 0.00570 0.00671 Si22 0.73820 0.73680 0.50290 0.02191 Si23 0.73640 0.23580 0.00280 0.02140 Si24 0.24160 0.23460 0.50170 0.02609 Si25 0.23080 0.00640 0.72830 0.00760 Si26 0.23590 0.50250 0.23500 0.02280 Si27 0.73960 0.50020 0.73760 0.02850 Si28 0.73890 0.00010 0.23910 0.02660 Si29 0.48030 0.47900 -0.02010 0.00887 Si30 -0.01280 0.48250 0.48110 0.01963 Si31 0.48540 -0.01540 0.48440 0.03724 Si32 -0.00910 0.99130 -0.00880 0.01241 O1 0.26300 0.04020 0.34930 0.02153 O2 0.93750 0.44540 0.94650 0.02280 O3 0.84480 0.26120 0.54230 0.01520 O4 0.84860 0.76310 0.03420 0.01773 O5 0.93840 0.93680 0.44150 0.02406 O6 0.44110 0.93850 0.94360 0.02660 O7 0.76190 0.53880 0.34480 0.02280 O8 0.34310 0.76580 0.54220 0.02660 O9 0.76470 0.03790 0.84680 0.01900 O10 0.09470 0.72760 0.29100 0.02153 O11 0.64290 0.01140 0.29110 0.02280 O12 0.26140 0.53900 0.84600 0.02660 O13 0.34830 0.26100 0.03830 0.01773 O14 0.59460 0.51310 0.44600 0.02153 O15 0.04000 0.34750 0.26510 0.01013 O16 0.43810 0.43930 0.43860 0.02406 O17 0.54270 0.83820 0.25950 0.02026 O18 0.03400 0.84510 0.76190 0.02913 O19 0.54140 0.34690 0.76160 0.03040 O20 0.29100 0.64060 0.01070 0.02153 O21 0.78900 0.14080 0.01290 0.02406 O22 0.22350 0.28940 0.59590 0.01773 O23 0.09400 0.22150 0.79090 0.01900 O24 0.14330 0.51610 0.29050 0.02786 O25 0.64330 0.51120 0.79010 0.02026 O26 0.59870 0.21910 0.28930 0.02280 O27 0.00900 0.28780 0.64230 0.02280 O28 0.78910 0.64330 0.51470 0.02280 O29 0.59310 0.72290 0.78400 0.03040 O30 0.51600 0.78710 0.64090 0.02660 O31 0.14280 0.01360 0.78480 0.01900 O32 0.51720 0.28800 0.14560 0.02153 O33 0.21990 0.78950 0.09470 0.02533 O34 0.09710 0.51080 0.94630 0.01140 O35 0.51210 0.94680 0.09160 0.02660 O36 0.01740 0.78590 0.13930 0.02026 O37 0.28740 0.14130 0.51420 0.02026 O38 0.72380 0.78990 0.59130 0.02660 O39 0.14320 0.21970 0.45340 0.02660 O40 0.72390 0.28970 0.09380 0.02153 O41 0.51210 0.44640 0.59480 0.01520 O42 0.89340 0.97260 0.04160 0.01900 O43 0.39470 0.76180 0.19690 0.02533 O44 0.79220 0.09260 0.22550 0.02153 O45 0.94960 0.59180 0.01030 0.02786 O46 0.97800 0.04320 0.89030 0.02026 O47 0.29340 0.08890 0.72120 0.02406 O48 0.89260 0.76410 0.69640 0.01773 O49 0.69040 0.04660 0.68880 0.03040 O50 0.76470 0.19700 0.38990 0.01900 O51 0.26670 0.19810 0.89270 0.02533 O52 0.63960 0.22020 0.94350 0.02153 O53 0.97380 0.53820 0.39330 0.02533 O54 0.01810 0.44720 0.09320 0.02153 O55 0.59460 0.01530 0.94600 0.03546 O56 0.18860 0.54290 0.68700 0.02026 O57 0.94690 0.64280 0.22260 0.02406 O58 0.19820 0.88920 0.26550 0.02153 O59 0.53850 0.39010 0.97400 0.02153 O60 0.44690 0.59330 0.51890 0.02026 O61 0.14680 0.72330 0.94300 0.02533 O62 0.78670 0.59360 0.72060 0.01900 O63 0.47070 0.03680 0.38720 0.02913 O64 0.04170 0.89040 0.97260 0.02533 O65 0.39220 0.47250 0.03600 0.02786 O66 0.68890 0.54660 0.19250 0.02660 O67 0.09210 0.01750 0.44600 0.02786 O68 0.69550 0.89300 0.76180 0.02153 O69 0.44750 0.14090 0.22210 0.02153 O70 0.19570 0.04350 0.18940 0.02533 O71 0.89200 0.47360 0.53900 0.02913 O72 0.44640 0.64050 0.72120 0.03040 O73 0.38760 0.26040 0.69740 0.02280 O74 0.76000 0.69870 0.88990 0.02913 O75 0.03890 0.39160 0.47160 0.01267 O76 0.39030 0.97470 0.53710 0.02026 O77 0.47070 0.53710 0.89120 0.02533 O78 0.19870 0.39100 0.76310 0.02280 O79 0.64320 0.72480 0.44650 0.02913 O80 0.01230 0.94500 0.59490 0.02660 O81 0.44440 0.29580 0.29620 0.02913 O82 0.89410 0.26480 0.19510 0.02913 O83 0.79780 0.43980 0.79720 0.02660 O84 0.72300 0.94370 0.14130 0.02406 O85 0.94910 0.14100 0.72080 0.02280 O86 0.44560 0.09540 0.01210 0.03420 O87 0.79580 0.93830 0.29430 0.02406 O88 0.29920 0.29490 0.44170 0.02406 O89 0.29830 0.93490 0.79820 0.02533 O90 0.94630 0.09230 0.51190 0.02533 O91 0.84890 0.97060 0.69820 0.02533 O92 0.34570 0.97140 0.19240 0.01393 O93 0.18880 0.68730 0.54310 0.02533 O94 0.70150 0.38550 0.26230 0.02913 O95 0.84510 0.47340 0.19850 0.02406 O96 0.29320 0.59780 0.22500 0.02280 O97 0.20010 0.34350 0.97030 0.02913 O98 0.79970 0.29700 0.94290 0.03040 O99 0.79430 0.79930 0.43730 0.02406 O100 0.19820 0.84430 0.48020 0.02026 O101 0.68940 0.19140 0.54790 0.03293 O102 0.29700 0.44020 0.29360 0.03293 O103 0.54150 0.88750 0.47620 0.02786 O104 0.94070 0.29400 0.78990 0.02533 O105 0.19000 0.18750 0.04570 0.02280 O106 0.29360 0.79300 0.93860 0.03166 O107 0.69390 0.84380 0.96960 0.02280 O108 0.72300 0.44830 0.64260 0.02786 O109 0.47450 0.19550 0.84530 0.02026 O110 0.21950 0.94500 0.64850 0.02280 O111 0.47160 0.69400 0.34600 0.02026 O112 0.93870 0.79420 0.29730 0.03040 O113 0.34530 0.47490 0.69840 0.03420 O114 0.97590 0.19640 0.34160 0.02660 O115 0.26050 0.69570 0.39020 0.02280 O116 0.43810 0.79470 0.80060 0.02026 O117 0.54660 0.18720 0.69270 0.02026 O118 0.22460 0.44830 0.14210 0.02533 O119 0.04760 0.18700 0.18450 0.02406 O120 0.69490 0.34700 0.47020 0.02280 O121 0.69290 0.69240 0.04910 0.02026 O122 0.97670 0.69320 0.84750 0.02786 O123 0.04550 0.54690 0.55160 0.02660 O124 0.53950 0.68870 0.18600 0.03293 O125 0.04850 0.04490 0.04720 0.02280 O126 0.54100 0.05390 0.54700 0.02786 O127 0.05130 0.68990 0.69260 0.02026 O128 0.54490 0.54180 0.04950 0.02153 Cl1 0.74050 0.74220 0.23890 0.02280 Cl2 0.74460 0.24290 0.74410 0.02748 Cl3 0.24660 0.74160 0.74560 0.02698 Cl4 0.24670 0.24650 0.24880 0.02432 Cl5 0.74090 0.49450 0.99240 0.02153 Cl6 0.74310 0.99070 0.49430 0.02533 Cl7 0.98900 0.49080 0.74100 0.02457 Cl8 0.24680 0.99180 0.99390 0.02976 Cl9 0.49040 0.49280 0.24500 0.02482 Cl10 0.24770 0.48960 0.49170 0.02951 Cl11 -0.00580 0.24270 0.99650 0.02546 Cl12 -0.00210 0.98920 0.24470 0.02558 Cl13 -0.00710 0.74420 0.49140 0.02837 Cl14 0.49400 0.99070 0.74540 0.02761 Cl15 0.49410 0.74230 0.99410 0.02318 Cl16 0.48960 0.24510 0.48820 0.02799