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Scholzite |
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Taxer K J |
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American Mineralogist 60 (1975) 1019-1022 |
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Structural investigations on scholzite |
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_database_code_amcsd 0000476 |
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17.149 22.236 6.667 90 90 90 *Pbc2_1 |
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.25 -.083333333333 0 |
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atom x y z Biso |
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Ca1 .0157 .1265 .2540 .69 |
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Ca2 -.0067 .2065 .7480 1.04 |
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Ca3 -.0075 .8730 .7580 2.25 |
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Zn1 .2111 .0030 .1955 .46 |
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Zn2 -.2299 -.0029 .3211 .35 |
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Zn3 .2822 .1686 .1941 .81 |
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Zn4 -.2756 .1661 .3195 .72 |
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Zn5 .2674 .8284 .1853 .68 |
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Zn6 -.2108 .3302 -.1884 .71 |
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P1 .1525 .1108 .9300 .34 |
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P2 .8523 .1034 -.4440 .16 |
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P3 .1571 .2284 .4420 .17 |
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P4 .8567 .2254 .0700 .13 |
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P5 .1421 .8939 .4350 .67 |
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P6 -.1577 .8916 .0560 .13 |
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O1 .1551 .0784 .1380 .20 |
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O2 .1568 .0653 .7570 1.03 |
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O3 .2279 .1519 .9520 1.06 |
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O4 .0782 .1483 .9420 .21 |
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O5 -.1546 .0644 -.2460 2.30 |
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O6 -.1584 .0586 .3810 1.02 |
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O7 .7787 .1491 -.4140 .46 |
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O8 .9297 .1356 -.4370 .95 |
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O9 .1642 .2661 .6310 .48 |
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O10 .1586 .2644 .2570 .76 |
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O11 .2283 .1854 .4680 .14 |
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O12 .0814 .1918 .4750 .14 |
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O13 -.1532 .2600 .2570 1.37 |
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O14 -.1462 .2649 -.1180 .49 |
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O15 -.2169 .1811 .0760 .17 |
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O16 -.0650 .1925 .0720 1.03 |
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O17 .1532 .9237 .6370 .49 |
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O18 .1447 .9351 .2600 .19 |
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O19 .2109 .8489 .4380 .59 |
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O20 .0684 .8558 .4540 .35 |
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O21 -.1581 .9361 -.1150 1.69 |
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O22 -.1658 .9253 .2620 .14 |
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O23 -.0841 .8543 -.9240 1.36 |
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O24 -.2341 .8485 -.9250 .14 |
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Wat25 .0497 .0459 .4710 1.35 |
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Wat26 .9453 .0533 .0920 .95 |
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Wat27 .0580 .2857 .9640 2.37 |
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Wat28 .9593 .2906 -.4560 1.98 |
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Wat29 .0355 .9524 .9650 1.66 |
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Wat30 -.0550 .9508 -.4240 1.02 |
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Londonite |
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Taxer K J, Buerger M J |
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Zeitschrift fur Kristallographie 125 (1967) 423-436 |
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The crystal struture of rhodizite |
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Note: name of mineral altered according to IMA decision in 1999 |
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to name the Cs dominant phase: londonite |
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Locality: Manjaka, Madagascar |
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_database_code_amcsd 0010650 |
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7.319 7.319 7.319 90 90 90 P-43m |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Cs 0 0 0 1.02 .0048 .0048 .0048 0 0 0 |
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B .2469 .5 0 .8 |
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Be .749 .749 .749 1.4 .0068 .0068 .0068 .0003 .0003 .0003 |
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Al .3603 .3603 .3603 .55 .0026 .0026 .0026 .0002 .0002 .0002 |
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O1 .6203 .6203 .6203 .51 .0015 .0015 .0015 .0017 .0017 .0017 |
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O2 .3643 .3643 .1001 .32 .0013 .0013 .0020 .0011 -.0003 .0011 |
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O3 .1342 .1342 .5996 .75 .0029 .0029 .0048 .0024 .0001 .0024 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Scholzite |
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Taxer K J |
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Zeitschrift fur Kristallographie 198 (1992) 239-253 |
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Order-disorder and polymorphism of the compound |
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with the composition of scholzite, CaZn2[PO4]2*2H2O |
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Note: hypothetical idealized structure |
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Note: x(O2) corrected |
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_database_code_amcsd 0011011 |
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17.149 7.412 6.667 90 90 90 Pbcn |
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atom x y z |
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Ca 0 .375 .25 |
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Zn .2727 .5 .1875 |
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P .35 .1875 .4375 |
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O1 .4375 .05 .4375 |
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O2 .2727 .05 .4375 |
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O3 .15 .2 .125 |
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Wat4 .05 .15 .4375 |
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O5 .35 .3 .25 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Parascholzite |
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Taxer K J |
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Zeitschrift fur Kristallographie 198 (1992) 239-253 |
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Order-disorder and polymorphism of the compound |
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with the composition of scholzite, CaZn2[PO4]2*2H2O |
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Note: hypothetical idealized structure |
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Note: x(O2) corrected |
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_database_code_amcsd 0011012 |
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17.863 7.412 6.667 90 106.25 90 C2/c |
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atom x y z |
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Ca 0 .375 .75 |
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Zn .2727 .5 .017 |
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P .35 .1875 .825 |
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O1 .4375 .05 .891 |
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O2 .2727 .05 .763 |
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O3 .15 .2 .389 |
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Wat4 .05 .15 .6 |
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O5 .35 .3 .0125 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Strengite |
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Taxer K, Bartl H |
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Crystal Research and Technology 39 (2004) 1080-1088 |
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On the dimorphy between the variscite and clinovariscite group: refined |
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finestructural relationship of strengite and clinostrengite, Fe(PO4)*2H2O |
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Locality: Kreuzberg, Pleystein, Barvaria |
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Note: x(O3) corrected to match reported bond lengths |
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_database_code_amcsd 0012324 |
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8.722 9.878 10.1187 90 90 90 Pbca |
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atom x y z Uiso |
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Fe .15163 .32927 .13285 .006 |
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P .03169 .64545 .14834 .0052 |
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O1 .0069 .2051 .2155 .0099 |
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O2 .0158 .4908 .1488 .0088 |
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O3 .3020 .1797 .1109 .0105 |
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O4 .0809 .2938 -.0470 .0107 |
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O5 .2652 .8891 .3126 .0116 |
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O6 .3347 .4470 .0600 .0147 |
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H1 .169 .907 .320 .04 |
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H2 .357 .433 -.022 .04 |
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H3 .285 .828 .370 .02 |
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H4 .312 .532 .062 .04 |
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|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
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| |
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Strengite |
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Taxer K, Bartl H |
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Crystal Research and Technology 39 (2004) 1080-1088 |
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On the dimorphy between the variscite and clinovariscite group: refined |
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finestructural relationship of strengite and clinostrengite, Fe(PO4)*2H2O |
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Locality: Kreuzberg, Pleystein, Barvaria |
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_database_code_amcsd 0012325 |
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5.335 9.808 8.720 90 90.54 90 P2_1/n |
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atom x y z Uiso |
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Fe .09162 .82617 .19174 .0053 |
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P -.0868 .14919 .18397 .0054 |
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O1 -.2010 .7058 .2169 .0108 |
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O2 -.1163 -.0066 .1698 .0089 |
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O3 .3344 .6776 .2354 .0123 |
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O4 .0943 .7813 -.0267 .0133 |
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O5 .4122 .3655 .0724 .027 |
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O6 .3913 .9513 .1827 .027 |
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H1 -.051 .453 .3302 .02 |
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H2 .285 .335 .0219 .02 |
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H3 .146 .533 .2925 .02 |
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H4 .537 .348 .0136 .02 |
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|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
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Rhodizite |
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Buerger M J, Taxer K |
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Science 152 (1966) 500-502 |
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Rhodizite. Structure and composition |
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Locality: Manjaka, Madagascar |
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_database_code_amcsd 0015418 |
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7.319 7.319 7.319 90 90 90 P-43m |
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atom x y z Biso |
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Cs 0 0 0 1.02 |
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Al .3575 .3575 .3575 .55 |
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Be .755 .755 .755 1.4 |
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B .245 .5 0 .8 |
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O1 .6195 .6195 .6195 .51 |
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O2 .3635 .3635 .1017 .32 |
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O3 .1339 .1339 .6019 .75 |
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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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