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Kentbrooksite |
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Rastsvetaeva R K, Khomyakov A P, Nekrasov Y V |
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Crystallography Reports 44 (1999) 765-769 |
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Crystal structure of a novel analog of eudialyte with R3 symmetry |
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Locality: Alluaiv mountain, Lovozero massif, Kola Peninsula, Russia |
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_database_code_amcsd 0012363 |
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14.182 14.182 30.37 90 90 120 R3 |
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atom x y z occ Biso |
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Na1a .190 .615 .1527 .5 7.8 |
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Na1b .182 .569 .1550 .5 5.8 |
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Ca1 .2448 .2447 .0001 .7 1.77 |
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Ce1 .2448 .2447 .0001 .15 1.77 |
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La1 .2448 .2447 .0001 .09 1.77 |
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Nd1 .2448 .2447 .0001 .06 1.77 |
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Mn -.0006 .2718 .0001 1.82 |
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MnM2 .1833 .3551 .3314 .2 1.82 |
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FeM2 .1833 .3551 .3314 .05 1.82 |
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Zr2 .0379 .5259 .0029 .133 2.4 |
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Hf2 .0379 .5259 .0029 .017 2.4 |
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Nb 1/3 2/3 .2904 .4 2.21 |
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Na2a .1175 .2234 .1534 .397 3.5 |
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Ce2a .1175 .2234 .1534 .043 3.5 |
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La2a .1175 .2234 .1534 .024 3.5 |
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Nd2a .1175 .2234 .1534 .016 3.5 |
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Na2b .077 .162 .1700 .52 7.2 |
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Sr .2396 .1126 .2776 .1 3.9 |
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Na3 .1966 .0950 .2890 .9 2.9 |
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Na4 .446 .550 .0036 .6 6.2 |
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Na5a .4388 .2142 .0534 .5 2.9 |
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Na5b .4760 .2355 .0423 .45 2.6 |
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Sr5b .4760 .2355 .0423 .05 2.6 |
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Na6 .5612 .1117 .1804 .967 3.7 |
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K6 .5612 .1117 .1804 .033 3.7 |
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Zr1 .3335 .1589 .1666 .967 1.85 |
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Ti1 .3335 .1589 .1666 .033 1.85 |
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SiT1a 1/3 2/3 .0444 .51 .8 |
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SiT1b 1/3 2/3 .0902 .49 2.2 |
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SiT2 1/3 2/3 .2492 .6 5.4 |
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Si1 -.0107 .6076 .0975 1.56 |
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Si1' -.0065 .3953 .0966 1.52 |
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Si2 .1397 .0588 .0809 1.74 |
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Si3 .0612 .3272 .2372 1.46 |
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Si3' .2753 .3225 .2366 1.42 |
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Si4 .2083 .4156 .0767 1.82 |
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Si5 .5257 .2518 .2532 1.70 |
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Si6 .4574 .5405 .2574 1.78 |
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O1 .1763 .3597 .0302 2.3 |
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O2 .1828 .3533 .2210 2.3 |
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O3 .6261 .5909 .0455 3.2 |
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O3' .6403 .0401 .0461 2.2 |
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O4 .2555 .0231 .2055 2.6 |
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O4' .2594 .2256 .2060 3.3 |
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O5 .4752 .2280 .2042 4.3 |
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O6 .2245 .0964 .0423 3.2 |
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O7 .1935 .0863 .1293 2.8 |
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O8 .1072 .3909 .1079 3.5 |
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O8' .2721 .3706 .1085 2.1 |
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O9 .4412 .2044 .2924 2.8 |
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O10 .6147 .2126 .2562 3.0 |
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O11 .0709 .1237 .0771 3.2 |
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O12 .0554 .4370 .2273 3.1 |
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O12' .3910 .4284 .2269 2.1 |
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O13 .0292 .5111 .3049 2.3 |
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O14 .4075 .2981 .1289 3.2 |
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O14' .4120 .1029 .1285 2.5 |
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O15 .0441 .2991 .2883 2.3 |
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O15' .2642 .2924 .2885 1.9 |
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O16 .0200 .5170 .1119 2.3 |
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O17 .2833 .5474 .0708 5.9 |
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O18a .205 .607 .2471 .45 4.0 |
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O18b .377 .593 .2622 .55 3.4 |
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OH1 0 0 .330 .51 4.3 |
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OH2 1/3 2/3 .1440 .55 2.8 |
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OH3 1/3 2/3 .196 .53 7.7 |
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OH4 .605 .400 -.0058 .44 4.4 |
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OH5 .411 .606 .002 .15 6. |
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F 2/3 1/3 .0424 .5 2.7 |
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Cl 2/3 1/3 .0424 .3 2.7 |
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Wat3a 2/3 1/3 .110 .58 6.1 |
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Wat3b 2/3 1/3 .150 .42 7.9 |
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Wat1a 0 0 .248 .43 8.2 |
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Wat1b 0 0 .289 .32 3.9 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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Na18Mn3Ca3Zr3Si26O76*H2O |
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Rastsvetaeva R K, Khomyakov A P, Nekrasov Y V |
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Crystallography Reports 44 (1999) 824-828 |
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Crystal structure of a novel analog of eudialyte with R3 symmetry |
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Locality: Alluaiv mountain, Lovozero alakaline massif, Kola Peninsula, Russia |
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_database_code_amcsd 0012364 |
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14.182 14.182 30.37 90 90 120 R3 |
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atom x y z occ Biso |
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Na1a .190 .6150 .1527 .5 7.8 |
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Na1b .182 .5690 .1550 .5 5.8 |
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CaM1' .2448 .2447 .0001 .7 1.77 |
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CeM1' .2448 .2447 .0001 .14 1.77 |
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LaM1' .2448 .2447 .0001 .08 1.77 |
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NdM1' .2448 .2447 .0001 .05 1.77 |
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YM1' .2448 .2447 .0001 .03 1.77 |
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Mn1 -.0006 .2718 .0001 1.82 |
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Zr1 .3335 .1589 .1666 .967 1.85 |
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Ti1 .3335 .1589 .1666 .033 1.85 |
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Si1 -.0107 .6076 .0975 1.56 |
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Si1' -.0065 .3953 .0966 1.52 |
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Si2 .1397 .0588 .0809 1.74 |
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Si3 .0612 .3272 .2372 1.46 |
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Si3' .2753 .3225 .2366 1.42 |
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Si4 .2083 .4156 .0767 1.82 |
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Si5 .5257 .2518 .2532 1.70 |
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Si6 .4574 .5405 .2574 1.78 |
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O1 .1763 .3597 .0302 2.3 |
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O2 .1828 .3533 .2210 2.3 |
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O3 .6261 .5909 .0455 3.2 |
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O3' .6403 .0401 .0461 2.2 |
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O4 .2555 .0231 .2055 2.6 |
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O4' .2594 .2256 .2060 3.3 |
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O5 .4752 .2280 .2042 4.3 |
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O6 .2245 .0964 .0423 3.2 |
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O7 .1935 .0863 .1293 2.8 |
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O8 .1072 .3909 .1079 3.5 |
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O8' .2721 .3706 .1085 2.1 |
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O9 .4412 .2044 .2924 2.8 |
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O10 .6147 .2126 .2562 3.0 |
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O11 .0709 .1237 .0771 3.2 |
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O12 .0554 .4370 .2273 3.1 |
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O12' .3910 .4284 .2269 2.1 |
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O13 .0292 .5111 .3049 2.3 |
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O14 .4075 .2981 .1289 3.2 |
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O14' .4120 .1029 .1285 2.5 |
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O15 .0441 .2991 .2883 2.3 |
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O15' .2642 .2924 .2885 1.9 |
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O16 .0200 .5170 .1119 2.3 |
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O17 .2833 .5474 .0708 5.9 |
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O18a .205 .607 .2471 .45 4.0 |
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O18b .377 .593 .2622 .55 3.4 |
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SiT1a 1/3 2/3 .0444 .51 .8 |
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SiT1a 1/3 2/3 .0902 .49 2.2 |
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SiT2 1/3 2/3 .2492 .6 5.4 |
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Nb 1/3 2/3 .2904 .4 2.21 |
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MnM2 .1833 .3551 .3314 .2 1.82 |
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FeM2 .1833 .3551 .3314 .05 1.82 |
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Zr2 .0379 .5259 .0029 .133 2.4 |
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Hf2 .0379 .5259 .0029 .017 2.4 |
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Na2a .1175 .2234 .1534 .397 3.5 |
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Ce2a .1175 .2234 .1534 .04 3.5 |
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La2a .1175 .2234 .1534 .024 3.5 |
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Nd2a .1175 .2234 .1534 .016 3.5 |
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Y2a .1175 .2234 .1534 .003 3.5 |
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Na2b .077 .1620 .1700 .52 7.2 |
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Sr .2396 .1126 .2776 .1 3.9 |
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Na3 .1966 .0950 .2890 .9 2.9 |
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Na4 .4460 .5500 .0036 .6 6.2 |
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Na5a .4388 .2142 .0534 .5 2.9 |
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Na5b .4760 .2355 .0423 .45 2.6 |
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Sr5b .4760 .2355 .0423 .05 2.6 |
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Na6 .5612 .1117 .1804 .967 3.7 |
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K6 .5612 .1117 .1804 .033 3.7 |
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OH1 0 0 .3300 .51 4.3 |
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OH2 1/3 2/3 .1440 .55 2.8 |
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OH3 1/3 2/3 .1960 .53 7.7 |
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OH4 .6050 .4000 -.0058 .44 4.4 |
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OH5 .4110 .6060 .0020 .15 6. |
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Wat1a 0 0 .2480 .43 8.2 |
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Wat1b 0 0 .2890 .32 3.9 |
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F1 2/3 1/3 .0424 .28 2.7 |
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Cl 2/3 1/3 .0424 .17 2.7 |
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Wat3a 2/3 1/3 .1100 .58 6.1 |
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Wat3b 2/3 1/3 .1500 .42 7.9 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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Novgorodovaite |
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Rastsvetaeva R K, Chukanov N V, Nekrasov Y V |
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Doklady Akademii Nauk SSSR 381 (2001) 353-355 |
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Crystal structure of novgorodovaite, Ca2(C2O4)Cl2*2H2O |
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_database_code_amcsd 0012496 |
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6.936 7.382 7.443 90 94.3 90 I2/m |
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atom x y z Biso |
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Ca .2514 0 -.1359 .92 |
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C 0 .1053 .5 .99 |
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O1 .1190 .1811 .6106 1.21 |
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Cl .3585 0 .2350 1.26 |
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Ow2 0 .1891 0 1.36 |
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H .056 .241 .081 1 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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