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Vladimirite |
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Yang H, Evans S H, Downs R T, Jenkins R A |
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The Canadian Mineralogist 49 (2011) 1055-1064 |
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The crystal structure of vladimirite, with a revised chemical formula, |
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Ca4(AsO4)2(AsO3OH)*4H2O |
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Note: Sample R080001 |
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Locality: Corbriza mine, Copiapo, Chile |
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_database_code_amcsd 0018559 |
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5.8220 10.1750 22.8816 90 96.902 90 P2_1/c |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca1 .67088 .72608 .00248 .00893 .00654 .01062 .00963 -.00001 .00103 -.00118 |
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Ca2 .00529 .85202 .14095 .00889 .00690 .00970 .01001 .00056 .00078 .00104 |
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Ca3 .88886 .32106 .10693 .01121 .00979 .01398 .01017 .00279 .00253 .00264 |
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Ca4 .43349 .36413 .24541 .01008 .00709 .01097 .01175 .00064 -.00073 -.00002 |
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As1 .86863 .54832 .21400 .00729 .00611 .00729 .00828 .00042 .00008 .00038 |
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As2 .54073 .00136 .09702 .00745 .00565 .00761 .00909 .00072 .00094 .00070 |
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As3 .23069 .58485 .04961 .00716 .00516 .00790 .00833 .00013 .00049 .00003 |
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O1 .85658 .71403 .21263 .01023 .00959 .00764 .01368 .00062 .00233 .00126 |
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O2 .13252 .49711 .20182 .01385 .00705 .01508 .02015 .00536 .00464 .00379 |
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O3 .67395 .48099 .16103 .01427 .01296 .01092 .01658 .00070 -.00784 -.00169 |
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O4 .79234 .49182 .27806 .01141 .01077 .01298 .01130 -.00102 .00463 .00240 |
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O5 .54373 .16439 .08186 .00971 .00751 .00777 .01376 .00060 .00085 .00192 |
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O6 .26566 .95039 .08639 .01264 .00269 .01639 .01848 -.00205 -.00026 .00322 |
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O7 .66445 .97783 .16753 .01163 .00952 .01435 .01044 .00136 -.00116 .00165 |
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O8 .71454 .91481 .05847 .01198 .00825 .01385 .01412 .00369 .00252 -.00391 |
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O9 .69988 .38575 .01794 .01269 .00996 .02010 .00800 -.00017 .00108 .00210 |
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O10 .01310 .67449 .06963 .01182 .00829 .01333 .01399 .00317 .00198 -.00315 |
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O11 .19683 .42550 .06268 .01205 .01387 .00649 .01675 -.00123 .00574 .00016 |
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O12H .48805 .63941 .08875 .00922 .00244 .01249 .01181 -.00189 -.00294 .00081 |
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OW1 .02292 .15298 .04195 .01346 .00923 .01358 .01709 .00045 -.00041 .00017 |
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OW2 .25242 .22770 .16284 .01312 .01416 .01275 .01323 .00049 .00490 -.00044 |
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OW3 .76927 .22847 .19861 .01419 .01526 .01218 .01393 -.00035 -.00315 .00083 |
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OW4 .65734 .22946 .31531 .01232 .01160 .01349 .01234 .00084 .00337 .00171 |
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H1 -.06777 .14716 .01838 .03 |
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H2 .07965 .07778 .05729 .03 |
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H3 .22120 .15586 .17657 .03 |
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H4 .32656 .22304 .14200 .03 |
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H5 .74762 .15182 .19028 .03 |
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H6 .87710 .23515 .22272 .03 |
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H7 .71229 .17020 .30609 .03 |
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H8 .59319 .21274 .34230 .03 |
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H9 .56958 .55717 .12278 .03 |
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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 (permalink) |
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Vladimirite |
|
Yang H, Evans S H, Downs R T, Jenkins R A |
| |
The Canadian Mineralogist 49 (2011) 1055-1064 |
|
The crystal structure of vladimirite, with a revised chemical formula, |
|
Ca4(AsO4)2(AsO3OH)*4H2O |
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Note: Sample R100075 |
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Locality: Ait Ahmane vein No. 53, Bou Azzer district, Morroco |
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_database_code_amcsd 0018560 |
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5.8279 10.1802 22.8944 90 96.943 90 P2_1/c |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca1 .67087 .72601 .00250 .00903 .00882 .00966 .00864 .00006 .00125 -.00106 |
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Ca2 .00525 .85202 .14094 .00875 .00836 .00887 .00906 .00049 .00118 .00124 |
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Ca3 .88901 .32115 .10694 .01124 .01197 .01279 .00938 .00266 .00304 .00243 |
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Ca4 .43361 .36411 .24537 .01010 .00955 .00960 .01072 .00046 -.00053 -.00027 |
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As1 .86851 .54829 .21401 .00704 .00763 .00608 .00729 .00056 .00047 .00042 |
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As2 .54070 .00128 .09702 .00733 .00710 .00670 .00827 .00058 .00131 .00061 |
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As3 .23074 .58486 .04956 .00718 .00697 .00703 .00756 .00015 .00098 .00005 |
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O1 .85631 .71384 .21273 .00963 .01140 .00654 .01124 .00033 .00247 .00046 |
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O2 .13205 .49715 .20166 .01402 .01181 .01405 .01715 .00569 .00558 .00367 |
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O3 .67374 .48109 .16106 .01463 .01797 .00999 .01391 .00017 -.00629 -.00084 |
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O4 .79173 .49184 .27804 .01209 .01493 .01168 .01037 -.00084 .00439 .00206 |
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O5 .54435 .16434 .08188 .01032 .01235 .00710 .01132 .00060 .00063 .00165 |
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O6 .26501 .95021 .08624 .01336 .00791 .01457 .01750 -.00265 .00110 .00411 |
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O7 .66427 .97778 .16747 .01169 .01365 .01214 .00898 .00176 .00012 .00309 |
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O8 .71472 .91483 .05839 .01199 .01243 .01104 .01297 .00236 .00340 -.00388 |
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O9 .69994 .38580 .01805 .01284 .01128 .02017 .00711 .00027 .00132 .00239 |
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O10 .01321 .67453 .06959 .01142 .00852 .01221 .01314 .00288 -.00028 -.00260 |
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O11 .19637 .42536 .06268 .01108 .01422 .00575 .01404 -.00124 .00486 -.00080 |
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O12H .48847 .63978 .08884 .01012 .00829 .01136 .00999 -.00007 -.00179 .00156 |
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OW1 .02305 .15367 .04187 .01396 .01170 .01021 .01975 .00151 .00102 .00149 |
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OW2 .25261 .22762 .16275 .01270 .01489 .01237 .01157 .00121 .00455 .00025 |
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OW3 .76957 .22834 .19865 .01400 .01582 .01297 .01210 -.00143 -.00282 .00021 |
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OW4 .65792 .22953 .31522 .01189 .01217 .01176 .01221 .00085 .00339 .00146 |
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H1 -.07100 .13772 .01910 .03 |
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H2 .08161 .08131 .05382 .03 |
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H3 .23135 .15423 .17793 .03 |
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H4 .34081 .21940 .13845 .03 |
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H5 .74002 .14615 .19077 .03 |
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H6 .86932 .23422 .22131 .03 |
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H7 .70746 .15775 .30747 .03 |
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H8 .60468 .21025 .34196 .03 |
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H9 .56736 .57309 .11828 .03 |
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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 (permalink) |
| |
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