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Manganhumite |
 |
Francis C A, Ribbe P H |
 |
American Mineralogist 63 (1978) 874-877 |
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Crystal structures of the humite minerals: V. Magnesian manganhumite |
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_database_code_amcsd 0000686 |
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4.815 10.580 21.448 90 90 90 Pbnm |
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atom x y z occ Biso |
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Mn1 .0015 .3797 .1758 .70 .90 |
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Mg1 .0015 .3797 .1758 .30 .90 |
|
Mn26 .5141 .1583 .25 .63 |
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Mn25 .0085 .0974 .1090 .93 |
|
Mg3 .4907 .8657 .0270 .75 .84 |
|
Mn3 .4907 .8657 .0270 .25 .84 |
|
Si1 .0750 .9699 .25 .63 |
|
Si2 .5753 .2844 .1043 .57 |
|
O23 .7150 .2178 .1659 .97 |
|
O13 .2168 .0381 .1896 .80 |
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O24 .7197 .2130 .0447 .86 |
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O21 .2432 .2850 .1029 .89 |
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O12 .2785 .3293 .25 .72 |
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O11 .7421 .9680 .25 .84 |
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O22 .7778 .9252 .1031 .75 |
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OH .2631 .0306 .0333 .87 |
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Forsterite |
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Francis C A, Ribbe P H |
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American Mineralogist 65 (1980) 1263-1269 |
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The forsterite-tephroite series: I. Crystal structure refinements |
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Sample: Fo51 olivine |
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Locality: Langban, Sweden |
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_database_code_amcsd 0000801 |
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4.794 10.491 6.123 90 90 90 Pbnm |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Mg1 0 0 0 0.0031 0.00135 0.00250 -.00010 -.0005 -.00034 |
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Mn2 .9870 .2790 .25 .97 0.0061 0.00116 0.00366 0.00024 0 0 |
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Mg2 .9870 .2790 .25 .03 0.0061 0.00116 0.00366 0.00024 0 0 |
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Si .4226 .0910 .25 0.0031 0.00096 0.00250 0 0 0 |
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O1 .7585 .0867 .25 0.0022 0.00170 0.00370 -.00020 0 0 |
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O2 .2301 .4489 .25 0.0040 0.00110 0.00380 -.00050 0 0 |
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O3 .2782 .1590 .0374 0.0039 0.00130 0.00360 0.00000 0.0000 0.00040 |
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Tephroite |
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Francis C A, Ribbe P H |
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American Mineralogist 65 (1980) 1263-1269 |
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The forsterite-tephroite series: I. Crystal structure refinements |
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Sample: Te 91 olivine |
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Locality: Madagascar |
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_database_code_amcsd 0000802 |
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4.879 10.589 6.234 90 90 90 Pbnm |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Mn1 0 0 0 .83 0.0058 0.00220 0.0048 0 -.0007 -.0007 |
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Mg1 0 0 0 .17 0.0058 0.00220 0.0048 0 -.0007 -.0007 |
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Mn2 .9877 .2801 .25 0.0067 0.00137 0.0045 0.0001 0 0 |
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Si .4265 .0951 .25 0.0054 0.00140 0.0045 0.0001 0 0 |
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O1 .7574 .0914 .25 0.0029 0.00250 0.0067 0.0001 0 0 |
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O2 .2162 .4525 .25 0.0057 0.00140 0.0056 -.0002 0 0 |
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O3 .2875 .1625 .0401 0.0075 0.00190 0.0049 0.0002 0.0000 0.0004 |
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Alleghanyite |
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Francis C A |
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American Mineralogist 70 (1985) 182-185 |
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Crystal structure refinement of magnesian alleghanyite |
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Locality: Sterling mine, Ogdensburg, New Jersey, USA |
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_database_code_amcsd 0000968 |
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4.815 10.574 8.083 108.74 90 90 P2_1/b |
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atom x y z occ Biso |
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MgM1 .5 0 .5 .135 .39 |
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MnM1 .5 0 .5 .865 .39 |
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MgM2 .0107 .1718 .3073 .098 .33 |
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MnM2 .0107 .1718 .3073 .902 .33 |
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MgM3 .4897 .8841 .0760 .808 .34 |
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MnM3 .4897 .8841 .0760 .100 .34 |
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ZnM3 .4897 .8841 .0760 .092 .34 |
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Si .0757 .1445 .7090 .27 |
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O1 .7822 .9946 .2906 .50 |
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O2 .7186 .2446 .1245 .55 |
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O3 .2135 .1698 .5374 .57 |
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O4 .2632 .8550 .2890 .55 |
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OH .2614 .0527 .0919 .53 .61 |
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F .2614 .0527 .0919 .47 .61 |
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Fettelite |
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Bindi L, Keutsch F N, Francis C A, Menchetti S |
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American Mineralogist 94 (2009) 609-615 |
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Fettelite, [Ag6As2S7][Ag10HgAs2S8] from Chanarcillo, Chile: |
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Crystal structure, pseudosymmetry, twinning, and revised chemical formula |
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Locality: Chanarcillo, Chile |
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_database_code_amcsd 0004906 |
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26.0388 15.0651 15.5361 90 90.48 90 C2 |
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atom x y z occ Uiso |
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Hg1 .12320 .10984 .50147 .0360 |
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Hg2 .13062 .61547 .50052 .0360 |
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Ag1 .27953 .8412 .9149 .0307 |
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Ag2 .0779 .4708 .0866 .0353 |
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Ag3 .04809 .6250 -.0958 .0314 |
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Ag4 -.02875 .3891 .0898 .0285 |
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Ag5 -.03269 -.1126 .0903 .0336 |
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Ag6 .0774 -.0199 .0867 .0355 |
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Ag7 .04708 .1234 .9050 .0328 |
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Ag8 .1669 .2503 .9109 .0339 |
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Ag9 .20505 .1017 .0980 .0290 |
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Ag10 .28171 .3295 .9117 .0344 |
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Ag11 .1785 .7510 .9124 .0365 |
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Ag12 .20053 .6158 .0937 .0330 |
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Ag13 .12915 -.1234 .7115 .0332 |
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Ag14 .11721 .6314 .3025 .0315 |
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Ag15 .01754 .7331 .3082 .0316 |
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Ag16 .01463 .2324 .2960 .0316 |
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Ag17 .13128 .3792 .7070 .0338 |
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Ag18 .2356 .4881 .6979 .0345 |
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Ag19 .11999 .1351 .3084 .0335 |
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Ag20 0 .7553 .5 .0358 |
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Ag21 .13653 .0792 .6901 .0253 |
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Ag22 .18308 .2989 .5006 .0275 |
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Ag23 .1381 .5810 .6946 .0375 |
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Ag24 .11439 .3315 .2991 .0345 |
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Ag25 .17871 .8062 .4976 .0353 |
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Ag26 .2345 -.0113 .6951 .0355 |
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Ag27 .06948 -.0801 .5021 .0323 |
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Ag28 .11638 .8386 .2938 .0288 |
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Ag29 .24814 .1456 .5009 .0335 |
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Ag30 0 .2931 .5 .0364 |
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Ag31 .24920 .4541 .5018 .0331 |
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Ag32 0 .1002 .5 .0378 |
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Ag33 .07288 .4245 .5011 .0336 |
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Ag34 0 .5604 .5 .0313 |
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As1 .0851 .2307 .0728 .0217 |
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As2 .0806 .7307 .0738 .0253 |
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As3 .1669 .4913 .9289 .725 .0246 |
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Sb3 .1669 .4913 .9289 .275 .0246 |
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As4 .1692 -.0067 .9268 .841 .0225 |
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Sb4 .1692 -.0067 .9268 .159 .0225 |
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As5 .2487 .7381 .2850 .0209 |
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As6 .0002 .4774 .2858 .789 .0218 |
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Sb6 .0002 .4774 .2858 .211 .0218 |
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As7 .0012 -.0188 .7148 .838 .0223 |
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Sb7 .0012 -.0188 .7148 .162 .0223 |
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As8 .2506 .2385 .2848 .0250 |
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S1 .0064 .7478 .1519 .028 |
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S2 .1173 .1155 .1525 .024 |
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S3 .2429 .4715 .8579 .025 |
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S4 .1350 .6087 .8548 .018 |
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S5 .0105 .2481 .1396 .023 |
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S6 .1258 -.1116 .8735 .023 |
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S7 .1204 .3828 .8622 .024 |
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S8 .1227 .8454 .1289 .022 |
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S9 .1128 .6157 .1467 .028 |
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S10 .1259 .3399 .1334 .027 |
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S11 .2412 -.0222 .8569 .025 |
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S12 .2541 .7060 -.0035 .026 |
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S13 .1316 .1011 .8502 .023 |
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S14 0 .5194 0 .026 |
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S15 0 .0196 0 .023 |
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S16 .2131 .8538 .3592 .023 |
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S17 .0753 -.0205 .3542 .025 |
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S18 .0858 .7411 .4348 .020 |
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S19 .0829 .2334 .4367 .018 |
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S20 .1663 -.0215 .5604 .022 |
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S21 .2127 .6207 .3506 .019 |
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S22 .0740 .4778 .3518 .024 |
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S23 .0439 -.1278 .6517 .027 |
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S24 -.0379 .3667 .3497 .022 |
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S25 -.0366 .5928 .3545 .025 |
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S26 .1744 .2443 .6456 .022 |
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S27 .2113 .3538 .3564 .024 |
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S28 .2859 .6229 .6494 .020 |
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S29 -.0341 .0945 .3608 .029 |
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S30 .1696 .7348 .6456 .018 |
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S31 .1612 .4833 .5619 .023 |
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|
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Stichtite |
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Mills S J, Whitfield P S, Wilson S A, Woodhouse J N, Dipple G M, |
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Raudsepp M, Francis C A |
| |
American Mineralogist 96 (2011) 179-187 |
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The crystal structure of stichtite, re-examination of barbertonite, and the |
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nature of polytypism in MgCr hydrotalcites |
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Note: 3R1 polytype of stichtite |
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Locality: Tasmania, Australia |
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_database_code_amcsd 0018330 |
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3.09552 3.09552 23.5042 90 90 120 R-3m |
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atom x y z occ Biso |
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Mg 0 0 0 .77 .16 |
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Cr 0 0 0 .23 .16 |
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O1 1/3 2/3 .37268 .04 |
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H1 1/3 2/3 .41108 .04 |
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Wat2 .1242 -.1242 .5 .102 .02 |
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CO3 1/3 2/3 .5 .059 .02 |
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O3 1/3 2/3 .5 .177 .02 |
|
|
| Download AMC data (View Text File)
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|
| |
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Stichtite |
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Mills S J, Whitfield P S, Wilson S A, Woodhouse J N, Dipple G M, |
|
Raudsepp M, Francis C A |
| |
American Mineralogist 96 (2011) 179-187 |
|
The crystal structure of stichtite, re-examination of barbertonite, and the |
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nature of polytypism in MgCr hydrotalcites |
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Note: Sample 84588, 2H1 polytype of stichtite = barbertonite |
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Locality: Barberton, South Africa |
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_database_code_amcsd 0018331 |
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3.09689 3.09689 15.6193 90 90 120 P6_3/mmc |
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atom x y z occ Biso |
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Mg 0 0 0 .75 .8 |
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Cr 0 0 0 .25 .8 |
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O1 1/3 2/3 .0650 .64 |
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H1 1/3 2/3 .131 .64 |
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Wat2 .23 -.23 .25 .204 .64 |
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CO3 1/3 2/3 .25 .124 .64 |
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O3 1/3 2/3 .25 .372 .64 |
|
|
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|
| |
|
Stichtite |
|
Mills S J, Whitfield P S, Wilson S A, Woodhouse J N, Dipple G M, |
|
Raudsepp M, Francis C A |
| |
American Mineralogist 96 (2011) 179-187 |
|
The crystal structure of stichtite, re-examination of barbertonite, and the |
|
nature of polytypism in MgCr hydrotalcites |
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Note: Sample 92459, 2H1 polytype of stichtite = barbertonite |
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Locality: Barberton, South Africa |
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_database_code_amcsd 0018332 |
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3.09646 3.09646 15.627 90 90 120 P6_3/mmc |
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atom x y z occ Biso |
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Mg 0 0 0 .81 1.62 |
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Cr 0 0 0 .19 1.62 |
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O1 1/3 2/3 .0589 1.7 |
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H1 1/3 2/3 -.007 1.7 |
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Wat2 .23 -.23 .25 .204 1.7 |
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CO3 1/3 2/3 .25 .097 1.7 |
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O3 1/3 2/3 .25 .291 1.7 |
|
|
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|
| |
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Barbertonite |
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Mills S J, Whitfield P S, Wilson S A, Woodhouse J N, Dipple G M, |
|
Raudsepp M, Francis C A |
| |
American Mineralogist 96 (2011) 179-187 |
|
The crystal structure of stichtite, re-examination of barbertonite, and the |
|
nature of polytypism in MgCr hydrotalcites |
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Note: Sample 84588, 2H1 polytype of stichtite |
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Locality: Barberton, South Africa |
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_database_code_amcsd 0018333 |
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3.09689 3.09689 15.6193 90 90 120 P6_3/mmc |
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atom x y z occ Biso |
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Mg 0 0 0 .75 .8 |
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Cr 0 0 0 .25 .8 |
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O1 1/3 2/3 .0650 .64 |
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H1 1/3 2/3 .131 .64 |
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Wat2 .23 -.23 .25 .204 .64 |
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CO3 1/3 2/3 .25 .124 .64 |
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O3 1/3 2/3 .25 .372 .64 |
|
|
| Download AMC data (View Text File)
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|
| |
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Barbertonite |
|
Mills S J, Whitfield P S, Wilson S A, Woodhouse J N, Dipple G M, |
|
Raudsepp M, Francis C A |
| |
American Mineralogist 96 (2011) 179-187 |
|
The crystal structure of stichtite, re-examination of barbertonite, and the |
|
nature of polytypism in MgCr hydrotalcites |
|
Note: Sample 92459, 2H1 polytype of stichtite |
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Locality: Barberton, South Africa |
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_database_code_amcsd 0018334 |
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3.09646 3.09646 15.627 90 90 120 P6_3/mmc |
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atom x y z occ Biso |
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Mg 0 0 0 .81 1.62 |
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Cr 0 0 0 .19 1.62 |
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O1 1/3 2/3 .0589 1.7 |
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H1 1/3 2/3 -.007 1.7 |
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Wat2 .23 -.23 .25 .204 1.7 |
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CO3 1/3 2/3 .25 .097 1.7 |
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O3 1/3 2/3 .25 .291 1.7 |
|
|
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Foitite |
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Francis C A, Dyar M D, Williams M L, Hughes J M |
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The Canadian Mineralogist 37 (1999) 1431-1438 |
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The occurrence and crystal structure of foitite from a tungsten-bearing vein |
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at Copper Mountain, Taos County, New Mexico |
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Note: y-coordinate of H3 changed to x/2 |
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Locality: Copper Mountain, Taos County, New Mexico |
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_database_code_amcsd 0005633 |
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15.973 15.973 7.137 90 90 120 R3m |
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atom x y z occ Biso |
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NaX 0 0 .25 .414 2.25 |
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CaX 0 0 .25 .002 2.25 |
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KX 0 0 .25 .002 2.25 |
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FeY .27106 .54212 .31604 .55 .667 |
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AlY .27106 .54212 .31604 .41 .667 |
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MgY .27106 .54212 .31604 .04 .667 |
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AlZ .29835 .26163 .63370 .96 .524 |
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FeZ .29835 .26163 .63370 .01 .524 |
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MgZ .29835 .26163 .63370 .03 .524 |
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SiT .19193 .18989 .02340 .486 |
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B .1103 .2206 .4778 .96 .78 |
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O1 0 0 .8037 .35 2.57 |
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OH1 0 0 .8037 .54 2.57 |
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F1 0 0 .8037 .11 2.57 |
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O2 .06205 .12410 .5116 1.28 |
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O3 .2676 .1338 .5318 1.03 |
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H3 .272 .136 .408 1.42 |
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O4 .09349 .18698 .0906 .88 |
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O5 .1883 .09415 .1143 .84 |
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O6 .19808 .18743 .7984 .78 |
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O7 .28509 .28589 .1023 .72 |
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O8 .21005 .27082 .4635 .81 |
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|
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Lithiophilite |
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Losey A, Rakovan J F, Hughes J M, Francis C A, Dyar M D |
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The Canadian Mineralogist 42 (2004) 1105-1115 |
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Structural variation in the lithiophilite-triphylite series |
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and other olivine-group structures |
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Note: sample Trip06 |
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Locality: Bennett Quarry, Buckfield, Maine |
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_database_code_amcsd 0005976 |
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4.7383 10.429 6.0923 90 90 90 Pbnm |
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atom x y z occ Biso |
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Li 0 0 0 1.7 |
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Mn .97154 .28163 .25 .933 .580 |
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Fe .97154 .28163 .25 .062 .580 |
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P .4091 .09238 .25 .52 |
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O1 .7310 .0966 .25 .85 |
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O2 .2115 .4558 .25 .78 |
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O3 .2770 .1617 .0494 .79 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Lithiophilite |
|
Losey A, Rakovan J F, Hughes J M, Francis C A, Dyar M D |
|
The Canadian Mineralogist 42 (2004) 1105-1115 |
|
Structural variation in the lithiophilite-triphylite series |
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and other olivine-group structures |
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Sample: Trip27 |
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Locality: Fillow Quarry, Branchville, Connecticut |
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_database_code_amcsd 0005977 |
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4.7247 10.4084 6.0705 90 90 90 Pbnm |
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atom x y z occ Biso |
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Li 0 0 0 1.59 |
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Mn .97253 .28183 .25 .704 .558 |
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Fe .97253 .28183 .25 .265 .558 |
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P .4113 .09309 .25 .560 |
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O1 .7343 .0968 .25 .85 |
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O2 .2104 .4559 .25 .86 |
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O3 .2787 .1625 .0487 .86 |
|
|
| Download AMC data (View Text File)
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|
| |
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Triphylite |
|
Losey A, Rakovan J F, Hughes J M, Francis C A, Dyar M D |
|
The Canadian Mineralogist 42 (2004) 1105-1115 |
|
Structural variation in the lithiophilite-triphylite series |
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and other olivine-group structures |
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Sample: Trip50 |
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Locality: BB#7 Quarry, Norway, Maine |
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_database_code_amcsd 0005978 |
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4.7138 10.3826 6.0499 90 90 90 Pbnm |
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atom x y z occ Biso |
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Li 0 0 0 1.50 |
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Mn .97362 .28199 .25 .497 .594 |
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Fe .97362 .28199 .25 .503 .594 |
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P .4138 .09364 .25 .65 |
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O1 .7366 .0969 .25 .94 |
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O2 .2089 .4562 .25 .92 |
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O3 .2813 .1635 .0478 .97 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Triphylite |
|
Losey A, Rakovan J F, Hughes J M, Francis C A, Dyar M D |
|
The Canadian Mineralogist 42 (2004) 1105-1115 |
|
Structural variation in the lithiophilite-triphylite series |
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and other olivine-group structures |
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Sample: Trip79 |
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Locality: Palermo #1 Quarry, Groton, New Hampshire |
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_database_code_amcsd 0005979 |
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4.7006 10.341 6.0166 90 90 90 Pbnm |
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atom x y z occ Biso |
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Li 0 0 0 .78 |
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Mn .97463 .28200 .25 .201 .592 |
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Mg .97463 .28200 .25 .056 .592 |
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Fe .97463 .28200 .25 .753 .592 |
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P .4164 .09448 .25 .419 |
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O1 .7402 .0970 .25 .73 |
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O2 .2062 .4570 .25 .65 |
|
O3 .2836 .1649 .0472 .69 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Triphylite |
|
Losey A, Rakovan J F, Hughes J M, Francis C A, Dyar M D |
|
The Canadian Mineralogist 42 (2004) 1105-1115 |
|
Structural variation in the lithiophilite-triphylite series |
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and other olivine-group structures |
|
Sample: Trip89 |
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Locality: G.E. Smith Quarry, Newport, New Hampshire |
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_database_code_amcsd 0005980 |
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4.6904 10.2855 5.9871 90 90 90 Pbnm |
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atom x y z occ Biso |
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Li 0 0 0 1.55 |
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Mn .9746 .28164 .25 .089 .593 |
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Mg .9746 .28164 .25 .234 .593 |
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Fe .9746 .28164 .25 .687 .593 |
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P .4169 .09476 .25 .59 |
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O1 .7412 .0983 .25 .83 |
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O2 .2055 .4560 .25 .81 |
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O3 .2827 .1655 .0465 .84 |
|
|
| Download AMC data (View Text File)
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|
| |
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Pascoite |
|
Hughes J M, Schindler M, Francis C A |
|
The Canadian Mineralogist 43 (2005) 1379-1386 |
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The C2/m disordered structure of pascoite, Ca3[V10O28]*17H2O: |
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Bonding between structural units and interstitial complexes |
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in compounds containing the [V10O28]6- decavanadanate polyanion |
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Locality: Minasragra, Peru |
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_database_code_amcsd 0006048 |
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19.5859 10.1405 10.9110 90 120.815 90 C2/m |
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atom x y z occ Uiso |
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Ca1 0 .5 .5 .0397 |
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Ca2 .76544 .5 .90375 .02429 |
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V1 .5 .33651 0 .01878 |
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V2 .54184 .5 .79952 .01806 |
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V3 .65968 .5 .12557 .01982 |
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V4 .38252 .34975 .67524 .02917 |
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O1 .72992 .5 .0882 .0276 |
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O2 .55118 .5 .14160 .0175 |
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O3 .41518 .37824 .03121 .0185 |
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O4 .44846 .23734 .85724 .0260 |
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O5 .61929 .5 .7822 .0254 |
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O6 .48079 .36781 .68558 .0236 |
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O7 .68615 .63212 .25285 .0271 |
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O8 .34433 .5 .5690 .0324 |
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O9 .34214 .2333 .56159 .0452 |
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O10 .8632 .5 .4389 .0714 |
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O11 .9871 .5 .2723 .0747 |
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O12A .7257 .6418 .7095 .5 .0464 |
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O12B .7143 .6970 .7557 .5 .0356 |
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O13A 0 .7216 .5 .5 .074 |
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O13B .9218 .7063 .3643 .5 .0647 |
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O14 .83935 .67191 .0643 .0468 |
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O15 .8824 .5 .8880 .0752 |
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H10 .8736 .440 .400 .05 |
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H11 .9572 .554 .218 .05 |
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H12A .7503 .712 .739 .05 |
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H12B .6926 .6736 .7140 .05 |
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H13A .9608 .737 .440 .05 |
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H13B .8752 .7400 .3234 .5 .05 |
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H14A .8672 .728 .063 .05 |
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H14B .8330 .689 .124 .05 |
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H15 .9065 .562 .886 .05 |
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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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Hydroniumpharmacosiderite |
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Mills S J, Kampf A R, Williams P A, Leverett P, Poirier G, Raudsepp M, Francis C A |
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Mineralogical Magazine 74 (2010) 863-869 |
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Hydroniumpharmacosiderite, a new member of the pharmacosiderite supergroup |
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from Cornwall, UK: structure and description |
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Locality: Cornwall, UK |
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_database_code_amcsd 0017882 |
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7.9587 7.9587 7.9587 90 90 90 P-43m |
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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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K .5 .0 .5 .13 .046 |
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Fe .14345 .14345 .14345 .0123 .0123 .0123 .0123 -.0016 -.0016 -.0016 |
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As .5 .0 .0 .0208 .0070 .0277 .0277 0 0 0 |
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O1 .1245 .1245 .3837 .0265 .0338 .0338 .0118 -.008 -.0004 -.0004 |
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O2 .8857 .8857 .8857 .0116 .0116 .0116 .0116 -.0023 -.0023 -.0023 |
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Wat3 .5 .106 .5 .25 .050 |
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Wat4 .693 .693 .693 .25 .047 |
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H3O4 .693 .693 .693 .45 .047 |
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O4 .693 .693 .693 .15 .047 |
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H2 .8283 .8283 .8283 .014 |
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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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