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Weddellite |
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Tazzoli V, Domeneghetti M C |
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American Mineralogist 65 (1980) 327-334 |
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The crystal structures of whewellite and weddellite: re-examination and |
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comparison |
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_database_code_amcsd 0000777 |
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12.371 12.371 7.357 90 90 90 I4/m |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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C .4464 .2415 .1053 1.23 .00182 .00263 .00440 .00018 .00006 -.00019 |
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Ca .1993 .3011 0 0.97 .00175 .00159 .00395 .00011 0 0 |
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O1 .3564 .2458 .1829 1.46 .00184 .00367 .00477 .00041 .00048 .00020 |
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O2 .2355 .4634 .1799 2.79 .00981 .00187 .00564 -.00035 -.00133 .00067 |
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OW1 .1490 .1145 0 2.75 .00780 .00270 .00843 -.00059 0 0 |
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OW2 .0192 .3841 0 2.97 .00378 .00633 .01221 .00159 0 0 |
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Wat3 0 0 .683 .58 7.20 .01062 .01062 .03972 0 0 0 |
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Wat30 0 0 .240 .17 7.00 |
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H1 .166 .071 .105 5 |
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H2 .350 .018 .115 5 |
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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 (permalink) |
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Weddellite |
|
Izatulina A, Gurzhiy V, Frank-Kamenetskaya O |
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American Mineralogist 99 (2014) 2-7 |
|
Weddellite from renal stones: Structure refinement and dependence of |
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crystal chemical features on H2O content. |
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Note: Sample 1 |
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Locality: oxalic renal stones of St. Petersburg citizens aged 24-65 years |
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_database_code_amcsd 0020071 |
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12.3363 12.3363 7.3448 90 90 90 I4/m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca1 .69940 .19936 .5 .01288 .0144 .0131 .0111 -.0014 .000 .000 |
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C1 .74239 -.05333 .3945 .0157 .0210 .0141 .0121 .0008 .0020 .0003 |
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O1 .74513 -.14369 .3173 .0192 .0308 .0144 .0124 .0034 -.0017 -.0025 |
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O2 .73769 .03708 .3201 .0352 .0762 .0146 .0147 .0042 .0073 .0022 |
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OW1 .6449 .3854 .5 .0326 .0472 .0214 .0292 .0004 .000 .000 |
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OW2 .5186 .1175 .5 .0366 .0306 .0452 .0339 -.0139 .000 .000 |
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Wat3 .5 .5 .14 .09 .09 |
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Wat31 .5 .5 .219 .18 .08 |
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H1 .668 .424 .403 .106 |
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H2 .5 .113 .396 .24 |
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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 (permalink) |
| |
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Weddellite |
|
Izatulina A, Gurzhiy V, Frank-Kamenetskaya O |
| |
American Mineralogist 99 (2014) 2-7 |
|
Weddellite from renal stones: Structure refinement and dependence of |
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crystal chemical features on H2O content. |
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Note: Sample 2 |
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Locality: oxalic renal stones of St. Petersburg citizens aged 24-65 years |
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_database_code_amcsd 0020072 |
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12.3543 12.3543 7.3547 90 90 90 I4/m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca1 .30058 .19919 .5 .01372 .0152 .0143 .0116 .0018 .000 .000 |
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C1 .25786 -.05338 .3948 .0166 .0218 .0161 .0119 -.0014 -.0013 .0004 |
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O1 .25476 -.14355 .3173 .0197 .0303 .0152 .0137 -.0033 .0011 -.0030 |
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O2 .2631 .03702 .3200 .0362 .0765 .0157 .0165 -.0045 -.0072 .0027 |
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OW1 .3539 .3852 .5 .0349 .0524 .0223 .0300 -.0029 .000 .000 |
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OW2 .4816 .1173 .5 .0383 .0316 .0488 .0345 .0146 .000 .000 |
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Wat3 .5 .5 .133 .11 .06 |
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Wat31 .5 .5 .218 .29 .085 |
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H1 .336 .421 .599 .10 |
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H2 .501 .125 .391 .22 |
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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 (permalink) |
| |
|
Weddellite |
|
Izatulina A, Gurzhiy V, Frank-Kamenetskaya O |
| |
American Mineralogist 99 (2014) 2-7 |
|
Weddellite from renal stones: Structure refinement and dependence of |
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crystal chemical features on H2O content. |
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Note: Sample 3 |
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Locality: oxalic renal stones of St. Petersburg citizens aged 24-65 years |
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_database_code_amcsd 0020073 |
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12.3462 12.3462 7.3535 90 90 90 I4/m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca1 .30075 .19937 .5 .01424 .0149 .0162 .0117 .00152 .000 .000 |
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C1 .55341 .24226 .6053 .0172 .0163 .0230 .0122 -.0014 .0007 -.0016 |
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O1 .64356 .24534 .68282 .0200 .0156 .0315 .0128 -.0032 -.0027 .0012 |
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O2 .46302 .23717 .6798 .0368 .0150 .0791 .0164 -.0041 .0023 -.0070 |
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OW1 .1146 .1458 .5 .0351 .0218 .0535 .0300 -.0020 .000 .000 |
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OW2 .3824 .0186 .5 .0384 .0479 .0324 .0348 .0147 .000 .000 |
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Wat3 0 0 .15 .14 .10 |
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Wat31 0 0 .224 .24 .092 |
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H1 .075 .167 .594 .110 |
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H2 .395 .010 .600 .23 |
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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) |
| |
|
Weddellite |
|
Izatulina A, Gurzhiy V, Frank-Kamenetskaya O |
| |
American Mineralogist 99 (2014) 2-7 |
|
Weddellite from renal stones: Structure refinement and dependence of |
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crystal chemical features on H2O content. |
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Note: Sample 4 |
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Locality: oxalic renal stones of St. Petersburg citizens aged 24-65 years |
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_database_code_amcsd 0020074 |
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12.3530 12.3530 7.3594 90 90 90 I4/m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca1 .30069 .19937 0 .01599 .01651 .01755 .0139 .00147 .000 .000 |
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C1 .55331 .24264 -.10552 .0182 .0176 .0232 .0139 -.0014 -.0003 .0012 |
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O1 .64339 .24550 -.18258 .0220 .0172 .0330 .0156 -.0032 .0022 -.0014 |
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O2 .46294 .23755 -.18011 .0380 .0177 .0793 .0170 -.0057 -.0034 .0077 |
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OW1 .11452 .14548 0 .0372 .0231 .0575 .0312 -.0040 .000 .000 |
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OW2 .38230 .01879 0 .0404 .0501 .0329 .0383 .0153 .000 .000 |
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Wat3 0 0 -.351 .19 .097 |
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Wat31 0 0 -.268 .20 .091 |
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H1 .076 .154 -.106 .112 |
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H2 .392 -.004 .119 .158 |
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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) |
| |
|
Weddellite |
|
Izatulina A, Gurzhiy V, Frank-Kamenetskaya O |
| |
American Mineralogist 99 (2014) 2-7 |
|
Weddellite from renal stones: Structure refinement and dependence of |
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crystal chemical features on H2O content. |
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Note: Sample 5 |
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Locality: oxalic renal stones of St. Petersburg citizens aged 24-65 years |
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_database_code_amcsd 0020075 |
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12.3528 12.3528 7.3569 90 90 90 I4/m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca1 .30071 .19929 .5 .01487 .01636 .01520 .01306 .00135 .000 .000 |
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C1 .25754 -.05330 .39455 .0174 .0230 .0160 .0133 -.0012 -.0012 .0001 |
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O1 .25452 -.14353 .31711 .02048 .0309 .0157 .0148 -.0030 .0014 -.0023 |
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O2 .26274 .03718 .31977 .0367 .0771 .0162 .0167 -.0052 -.0072 .0030 |
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OW1 .35414 .38555 .5 .0353 .0549 .0207 .0301 -.0037 .000 .000 |
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OW2 .48141 .11757 .5 .0378 .0308 .0470 .0356 .0145 .000 .000 |
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Wat3 .5 .5 .158 .21 .090 |
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Wat31 .5 .5 .234 .19 .071 |
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H1 .342 .426 .396 .103 |
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H2 .505 .111 .380 .165 |
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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) |
| |
|
Weddellite |
|
Izatulina A, Gurzhiy V, Frank-Kamenetskaya O |
| |
American Mineralogist 99 (2014) 2-7 |
|
Weddellite from renal stones: Structure refinement and dependence of |
|
crystal chemical features on H2O content. |
|
Note: Sample 6 |
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Locality: oxalic renal stones of St. Petersburg citizens aged 24-65 years |
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_database_code_amcsd 0020076 |
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12.3542 12.3542 7.3604 90 90 90 I4/m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca1 .30069 .19934 0 .01606 .01679 .01794 .01344 .00150 .000 .000 |
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C1 .55340 .24262 -.10546 .0186 .0176 .0240 .0141 -.0013 -.0005 .0017 |
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O1 .64342 .24543 -.18270 .0219 .0172 .0333 .0152 -.0031 .0024 -.0011 |
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O2 .46289 .23760 -.18008 .0382 .0183 .0794 .0167 -.0051 -.0032 .0076 |
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OW1 .11447 .14546 0 .0372 .0228 .0570 .0317 -.0048 .000 .000 |
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OW2 .38228 .01872 0 .0402 .0491 .0336 .0379 .0149 .000 .000 |
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Wat3 0 0 -.347 .21 .102 |
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Wat31 0 0 -.266 .18 .082 |
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H1 .075 .154 -.105 .122 |
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H2 .392 -.005 .119 .155 |
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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) |
| |
|
Weddellite |
|
Izatulina A, Gurzhiy V, Frank-Kamenetskaya O |
| |
American Mineralogist 99 (2014) 2-7 |
|
Weddellite from renal stones: Structure refinement and dependence of |
|
crystal chemical features on H2O content. |
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Note: Sample 7 |
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Locality: oxalic renal stones of St. Petersburg citizens aged 24-65 years |
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_database_code_amcsd 0020077 |
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12.3565 12.3565 7.3592 90 90 90 I4/m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca1 .30078 .19934 0 .01578 .0163 .0174 .0137 .00131 .000 .000 |
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C1 .55350 .24262 -.10543 .0181 .0169 .0237 .0139 -.0009 -.0005 .0013 |
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O1 .64335 .24568 -.18276 .0214 .0168 .0320 .0153 -.0034 .0024 -.0009 |
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O2 .46306 .23712 -.18010 .0373 .0174 .0779 .0166 -.0047 -.0033 .0071 |
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OW1 .11452 .14623 0 .0371 .0228 .0590 .0294 -.0052 .000 .000 |
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OW2 .38269 .01887 0 .0395 .0489 .0321 .0375 .0149 .000 .000 |
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Wat3 0 0 -.360 .18 .100 |
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Wat31 0 0 -.277 .29 .089 |
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H1 .077 .155 -.107 .108 |
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H2 .385 -.010 .118 .151 |
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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) |
| |
|
Weddellite |
|
Izatulina A, Gurzhiy V, Frank-Kamenetskaya O |
| |
American Mineralogist 99 (2014) 2-7 |
|
Weddellite from renal stones: Structure refinement and dependence of |
|
crystal chemical features on H2O content. |
|
Note: Sample 8 |
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Locality: oxalic renal stones of St. Petersburg citizens aged 24-65 years |
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_database_code_amcsd 0020078 |
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12.3443 12.3443 7.3599 90 90 90 I4/m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca1 .30065 .19921 .5 .01349 .0153 .0137 .0115 .0012 .000 .000 |
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C1 .25761 -.05342 .3943 .0163 .0201 .0151 .0137 -.0014 -.0019 .0005 |
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O1 .25465 -.14352 .31736 .0197 .0307 .0148 .0135 -.0029 .0014 -.0033 |
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O2 .26291 .03685 .3203 .0365 .0782 .0156 .0157 -.0045 -.0068 .0022 |
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OW1 .3542 .38529 .5 .0348 .0547 .0221 .0274 -.0022 .000 .000 |
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OW2 .4811 .1173 .5 .0387 .0317 .0476 .0368 .0156 .000 .000 |
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Wat3 .5 .5 .14 .14 .11 |
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Wat31 .5 .5 .217 .29 .091 |
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H1 .338 .420 .595 .086 |
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H2 .494 .107 .407 .21 |
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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) |
| |
|
Weddellite |
|
Izatulina A, Gurzhiy V, Frank-Kamenetskaya O |
| |
American Mineralogist 99 (2014) 2-7 |
|
Weddellite from renal stones: Structure refinement and dependence of |
|
crystal chemical features on H2O content. |
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Note: Sample 9 |
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Locality: oxalic renal stones of St. Petersburg citizens aged 24-65 years |
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_database_code_amcsd 0020079 |
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12.3573 12.3573 7.3587 90 90 90 I4/m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca1 .30067 .19921 .5 .01577 .01734 .01641 .01355 .00144 .000 .000 |
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C1 .25748 -.05343 .39468 .0182 .0236 .0172 .0137 -.0011 -.0013 .0003 |
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O1 .25443 -.14338 .31720 .0214 .0323 .0162 .0157 -.0031 .0014 -.0027 |
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O2 .26286 .03700 .32007 .0374 .0783 .0171 .0167 -.0047 -.0070 .0030 |
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OW1 .35372 .38548 .5 .0372 .0594 .0222 .0301 -.0048 .000 .000 |
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OW2 .48124 .11745 .5 .0403 .0330 .0497 .0381 .0147 .000 .000 |
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Wat3 .5 .5 .146 .21 .100 |
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Wat31 .5 .5 .230 .25 .084 |
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H1 .344 .4238 .396 .105 |
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H2 .509 .117 .384 .162 |
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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) |
| |
|
Weddellite |
|
Izatulina A, Gurzhiy V, Frank-Kamenetskaya O |
| |
American Mineralogist 99 (2014) 2-7 |
|
Weddellite from renal stones: Structure refinement and dependence of |
|
crystal chemical features on H2O content. |
|
Note: Sample 10 |
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Locality: oxalic renal stones of St. Petersburg citizens aged 24-65 years |
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_database_code_amcsd 0020080 |
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12.3558 12.3558 7.3601 90 90 90 I4/m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca1 .30072 .19935 0 .01560 .01612 .01716 .01351 .00145 .000 .000 |
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C1 .55334 .24250 -.10556 .0183 .0172 .0236 .0140 -.0013 -.0004 .0016 |
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O1 .64344 .24545 -.18275 .0215 .0167 .0325 .0153 -.0034 .0023 -.0012 |
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O2 .46287 .23739 -.18010 .0378 .0169 .0793 .0171 -.0051 -.0028 .0073 |
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OW1 .11452 .14576 0 .0369 .0219 .0573 .0315 -.0037 .000 .000 |
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OW2 .38231 .01870 0 .0395 .0492 .0322 .0370 .0147 .000 .000 |
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Wat3 0 0 -.349 .19 .097 |
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Wat31 0 0 -.269 .20 .085 |
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H1 .076 .159 -.105 .106 |
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H2 .389 -.007 .119 .164 |
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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) |
| |
|
Weddellite |
|
Izatulina A, Gurzhiy V, Frank-Kamenetskaya O |
| |
American Mineralogist 99 (2014) 2-7 |
|
Weddellite from renal stones: Structure refinement and dependence of |
|
crystal chemical features on H2O content. |
|
Note: Sample 11 |
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Locality: oxalic renal stones of St. Petersburg citizens aged 24-65 years |
|
_database_code_amcsd 0020081 |
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12.3576 12.3576 7.3578 90 90 90 I4/m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca1 .69934 .19918 .5 .01549 .01697 .01599 .01351 -.00141 .000 .000 |
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C1 .74242 -.05351 .39473 .0181 .0227 .0175 .0143 .0012 .0015 .0002 |
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O1 .74562 -.14334 .31713 .0210 .0310 .0165 .0154 .0032 -.0011 -.0025 |
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O2 .73706 .03699 .32006 .0370 .0771 .0169 .0170 .0046 .0068 .0029 |
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OW1 .64663 .38552 .5 .0370 .0587 .0223 .0299 .0052 .000 .000 |
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OW2 .51882 .11730 .5 .0397 .0322 .0493 .0374 -.0147 .000 .000 |
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Wat3 .5 .5 .151 .25 .101 |
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Wat31 .5 .5 .233 .27 .082 |
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H1 .658 .423 .396 .115 |
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H2 .495 .116 .619 .170 |
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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) |
| |
|
Weddellite |
|
Izatulina A, Gurzhiy V, Frank-Kamenetskaya O |
| |
American Mineralogist 99 (2014) 2-7 |
|
Weddellite from renal stones: Structure refinement and dependence of |
|
crystal chemical features on H2O content. |
|
Note: Sample 12 |
|
Locality: oxalic renal stones of St. Petersburg citizens aged 24-65 years |
|
_database_code_amcsd 0020082 |
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12.3567 12.3567 7.3573 90 90 90 I4/m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca1 .30066 .19917 .5 .01543 .01705 .01593 .01330 .00138 .000 .000 |
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C1 .25768 -.05337 .39460 .0181 .0233 .0172 .0138 -.0012 -.0013 .0004 |
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O1 .25440 -.14347 .31715 .0211 .0315 .0167 .0152 -.0033 .0014 -.0020 |
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O2 .26314 .03704 .31979 .0372 .0779 .0171 .0166 -.0051 -.0069 .0025 |
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OW1 .35334 .38540 .5 .0368 .0583 .0223 .0298 -.0048 .000 .000 |
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OW2 .48137 .11747 .5 .0394 .0322 .0488 .0371 .0145 .000 .000 |
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Wat3 .5 .5 .147 .22 .094 |
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Wat31 .5 .5 .228 .29 .084 |
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H1 .340 .424 .396 .109 |
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H2 .506 .112 .381 .168 |
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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) |
| |
|
Weddellite |
|
Izatulina A, Gurzhiy V, Frank-Kamenetskaya O |
| |
American Mineralogist 99 (2014) 2-7 |
|
Weddellite from renal stones: Structure refinement and dependence of |
|
crystal chemical features on H2O content. |
|
Note: Sample 13 |
|
Locality: oxalic renal stones of St. Petersburg citizens aged 24-65 years |
|
_database_code_amcsd 0020083 |
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12.3622 12.3622 7.3603 90 90 90 I4/m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca1 .30065 .19917 .5 .01527 .01689 .01595 .01298 .00139 .000 .000 |
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C1 .25769 -.05337 .39469 .0179 .0239 .0166 .0131 -.0009 -.0015 .0006 |
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O1 .25436 -.14343 .31719 .02099 .0315 .0165 .0150 -.0032 .0010 -.0025 |
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O2 .26318 .03699 .31989 .0370 .0781 .0164 .0166 -.0047 -.0067 .0031 |
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OW1 .35309 .38568 .5 .0366 .0589 .0217 .0292 -.0050 .000 .000 |
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OW2 .48147 .11761 .5 .0393 .0325 .0492 .0363 .0150 .000 .000 |
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Wat3 .5 .5 .154 .26 .095 |
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Wat31 .5 .5 .234 .26 .081 |
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H1 .339 .424 .394 .125 |
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H2 .503 .105 .380 .175 |
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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) |
| |
|
Weddellite |
|
Izatulina A, Gurzhiy V, Frank-Kamenetskaya O |
| |
American Mineralogist 99 (2014) 2-7 |
|
Weddellite from renal stones: Structure refinement and dependence of |
|
crystal chemical features on H2O content. |
|
Note: Sample 14 |
|
Locality: oxalic renal stones of St. Petersburg citizens aged 24-65 years |
|
_database_code_amcsd 0020084 |
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12.363 12.363 7.3460 90 90 90 I4/m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca1 .30064 .19912 .5 .01381 .0158 .0147 .0110 .0012 .000 .000 |
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C1 .25781 -.05340 .3943 .0167 .0215 .0170 .0116 -.0006 -.0008 -.0001 |
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O1 .25444 -.14367 .31724 .0200 .0318 .0157 .0124 -.0031 .0006 -.0027 |
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O2 .26328 .03689 .3203 .0361 .0776 .0147 .0158 -.0033 -.0069 .0022 |
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OW1 .3534 .3854 .5 .0352 .0541 .0239 .0276 -.0029 .000 .000 |
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OW2 .4811 .1169 .5 .0387 .0325 .0504 .0333 .0134 .000 .000 |
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Wat3 .5 .5 .131 .20 .11 |
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Wat31 .5 .5 .221 .34 .080 |
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H1 .332 .418 .595 .089 |
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H2 .507 .129 .397 .14 |
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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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Weddellite |
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Izatulina A, Gurzhiy V, Frank-Kamenetskaya O |
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American Mineralogist 99 (2014) 2-7 |
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Weddellite from renal stones: Structure refinement and dependence of |
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crystal chemical features on H2O content. |
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Note: Sample 15 |
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Locality: oxalic renal stones of St. Petersburg citizens aged 24-65 years |
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_database_code_amcsd 0020085 |
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12.3620 12.3620 7.3574 90 90 90 I4/m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca1 .30085 .19934 0 .01576 .0160 .0172 .01401 .00145 .000 .000 |
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C1 .55341 .24233 -.10548 .0183 .0176 .0228 .0144 -.0011 -.0002 .0012 |
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O1 .64339 .24571 -.18292 .0214 .0166 .0319 .0158 -.0032 .0022 -.0014 |
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O2 .46305 .23672 -.17996 .0370 .0172 .0768 .0170 -.0047 -.0026 .0066 |
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OW1 .11443 .14709 0 .0374 .0224 .0595 .0302 -.0046 .000 .000 |
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OW2 .38256 .01869 0 .0404 .0498 .0326 .0387 .0151 .000 .000 |
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Wat3 0 0 -.344 .28 .097 |
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Wat31 0 0 -.264 .27 .082 |
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H1 .075 .166 -.104 .127 |
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H2 .390 -.004 -.122 .19 |
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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) |
| |
|
Weddellite |
|
Izatulina A, Gurzhiy V, Frank-Kamenetskaya O |
| |
American Mineralogist 99 (2014) 2-7 |
|
Weddellite from renal stones: Structure refinement and dependence of |
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crystal chemical features on H2O content. |
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Note: Sample 16 |
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Locality: oxalic renal stones of St. Petersburg citizens aged 24-65 years |
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_database_code_amcsd 0020086 |
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12.3627 12.3627 7.3574 90 90 90 I4/m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca1 .30084 .19934 .5 .01550 .01594 .01702 .0135 .00140 .000 .000 |
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C1 .55350 .24224 .60549 .0180 .0177 .0221 .0143 -.0011 .0007 -.0019 |
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O1 .64336 .24576 .68271 .0210 .0167 .0311 .0151 -.0032 -.0026 .0010 |
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O2 .46301 .23670 .67995 .0369 .0173 .0765 .0169 -.0049 .0029 -.0068 |
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OW1 .11453 .14716 .5 .0370 .0220 .0602 .0288 -.0058 .000 .000 |
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OW2 .38270 .01878 .5 .0394 .0497 .0318 .0367 .0150 .000 .000 |
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Wat3 0 0 .148 .26 .103 |
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Wat31 0 0 .229 .32 .084 |
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H1 .076 .160 .395 .118 |
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H2 .385 -.006 .381 .161 |
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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) |
| |
|
Weddellite |
|
Izatulina A, Gurzhiy V, Frank-Kamenetskaya O |
| |
American Mineralogist 99 (2014) 2-7 |
|
Weddellite from renal stones: Structure refinement and dependence of |
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crystal chemical features on H2O content. |
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Note: Sample 17 |
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Locality: oxalic renal stones of St. Petersburg citizens aged 24-65 years |
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_database_code_amcsd 0020087 |
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12.3783 12.3783 7.3659 90 90 90 I4/m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca1 .30101 .19933 0 .01540 .01604 .01712 .0131 .00131 .000 .000 |
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C1 .55357 .24199 -.10522 .0179 .0172 .0223 .0143 -.0008 -.0006 .0013 |
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O1 .64335 .24591 -.18276 .0209 .0169 .0312 .0147 -.0031 .0025 -.0009 |
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O2 .46321 .23601 -.17976 .0372 .0171 .0787 .0159 -.0053 -.0030 .0066 |
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OW1 .11438 .14833 0 .0373 .0218 .0628 .0273 -.0064 .000 .000 |
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OW2 .38290 .01879 0 .0402 .0498 .0321 .0385 .0153 .000 .000 |
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Wat3 0 0 -.355 .29 .097 |
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Wat31 0 0 -.273 .40 .077 |
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H1 .0789 .157 -.107 .094 |
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H2 .379 -.006 .119 .154 |
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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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