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Wohlerite |
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Bellezza M, Merlino S, Perchiazzi N |
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The Canadian Mineralogist 50 (2012) 531-548 |
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Distinct domains in "guarinite" from Monte Somma, Italy: |
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Crystal structures and crystal chemistry |
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Note: "Guarinite" Domain II |
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Locality: Monte Somma syenite, Italy |
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_database_code_amcsd 0019217 |
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10.836 10.270 7.296 90 109.13 90 P2_1 |
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atom x y z occ Uiso |
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Ca(1) .3469 .2965 .5526 .019 |
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Nb .1299 .0521 .1897 .57 .014 |
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ZrNb .1299 .0521 .1897 .43 .014 |
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Zr .3427 .2868 .0535 .012 |
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Ca(2) .1460 .6817 .1986 .82 .012 |
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Fe(2) .1460 .6817 .1986 .18 .012 |
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Ca(3) .3693 .9104 .0554 .017 |
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Ca(4) .1531 .6803 .6995 .014 |
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Na(1) .1216 .0675 .6909 .77 .021 |
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Ca(1) .1216 .0675 .6909 .23 .021 |
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Na(2) .3681 .9142 .5514 .80 .020 |
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Ca(2) .3681 .9142 .5514 .20 .020 |
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Si(1) .0808 .3713 .1980 .012 |
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Si(2) .0724 .3632 .6358 .012 |
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Si(3) .4374 .6112 .5625 .012 |
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Si(4) .4319 .6107 .1231 .012 |
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O(1) .0065 .2360 .1164 .019 |
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O(2) -.0181 .2386 .6213 .016 |
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O(3) .0078 .4998 .0912 .024 |
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O(4) .0169 .4969 .6944 .022 |
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O(5) .2324 .3699 .2070 .020 |
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O(6) .2211 .3323 .7754 .017 |
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O(7) .4871 .4690 .6486 .019 |
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O(8) .4607 .4603 .0772 .019 |
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O(9) .4744 .2341 .3201 .016 |
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O(10) .4664 .2148 .9148 .018 |
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O(11) .2852 .6371 .5156 .023 |
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O(12) .2855 .6669 .0197 .019 |
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O(13) .2461 .1132 .0365 .023 |
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O(14) .2283 .1135 .4503 .025 |
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F(15) .2382 .8866 .7445 .018 |
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O(16) .2178 .8880 .2273 .018 |
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O(17) .0865 .3886 .4241 .028 |
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O(18) .5268 .1214 .6404 .022 |
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Wohlerite |
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Biagioni C, Merlino S, Parodi G C, Perchiazzi N |
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The Canadian Mineralogist 50 (2012) 593-609 |
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Crystal chemistry of minerals of the wohlerite group from the Los Archipelago, Guinea |
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Locality: the nepheline syenites of the Los Archipelago, Guinea |
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_database_code_amcsd 0019479 |
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10.80498 10.25458 7.28606 90 109.1168 90 P2_1 |
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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 .34587 .29856 .55109 .991 .01293 .0127 .0129 .0130 -.00341 .00387 -.00152 |
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Nb .12664 .05439 .18665 .461 .01356 .01936 .01017 .01389 -.00359 .00918 -.00142 |
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Ti .12664 .05439 .18665 .539 .01356 .01936 .01017 .01389 -.00359 .00918 -.00142 |
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Zr .34331 .28845 .05357 .884 .00842 .00740 .01101 .00665 .00177 .00204 .00046 |
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Mn .34331 .28845 .05357 .116 .00842 .00740 .01101 .00665 .00177 .00204 .00046 |
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Ca2 .14530 .68454 .19921 .629 .01093 .01065 .01309 .00965 -.00213 .00411 -.00085 |
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Fe2 .14530 .68454 .19921 .371 .01093 .01065 .01309 .00965 -.00213 .00411 -.00085 |
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Ca3 .36868 .91202 .05497 .985 .01136 .0106 .0134 .0095 -.00036 .00263 -.00066 |
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Ca4 .15256 .68285 .69964 .969 .01144 .0114 .0118 .01091 -.00142 .00326 -.00037 |
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Fe4 .15256 .68285 .69964 .031 .01144 .0114 .0118 .01091 -.00142 .00326 -.00037 |
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Na1 .12071 .06860 .68802 .822 .0185 .0177 .0146 .0239 .0056 .0080 .0048 |
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Ca1B .12071 .06860 .68802 .178 .0185 .0177 .0146 .0239 .0056 .0080 .0048 |
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Na2 .36610 .91639 .55095 .911 .0161 .0153 .0186 .0158 .0023 .0068 .0010 |
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Ca2B .36610 .91639 .55095 .089 .0161 .0153 .0186 .0158 .0023 .0068 .0010 |
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Si1 .08083 .37295 .19737 .00813 .0086 .0075 .0081 .00118 .00249 .0008 |
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Si2 .07316 .36510 .63719 .00815 .0082 .0081 .0079 .00031 .00217 -.0001 |
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Si3 .43726 .61300 .56187 .00839 .0085 .0090 .0074 .0002 .00224 -.00014 |
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Si4 .43164 .61251 .12396 .00783 .0086 .0076 .0073 .00013 .00262 .00025 |
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O1 .00622 .23828 .1161 .0141 .0144 .0111 .0152 -.0041 .0028 -.0018 |
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O2 -.01991 .24162 .6198 .0131 .0127 .0116 .0151 -.0022 .0044 -.0009 |
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O3 .00954 .50333 .0921 .0177 .0188 .0114 .0204 .0064 .0030 .0041 |
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O4 .01860 .50030 .6918 .0186 .0153 .0104 .0322 -.0009 .0107 -.0051 |
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O5 .23359 .37046 .2074 .0157 .0104 .0180 .0202 .0004 .0072 -.0013 |
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O6 .22203 .33521 .7763 .0170 .0097 .0232 .0149 .0020 -.0001 .0045 |
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O7 .48720 .47122 .6491 .0146 .0158 .0086 .0143 -.0017 -.0021 .0028 |
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O8 .45854 .46462 .0736 .0146 .0160 .0093 .0222 -.0014 .0113 -.0024 |
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O9 .47547 .23540 .3190 .0134 .0146 .0110 .0121 .0006 .0009 .0035 |
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O10 .46701 .21858 .9125 .0165 .0186 .0158 .0179 .0049 .0097 -.0024 |
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O11 .28510 .64045 .5127 .0199 .0093 .0300 .0202 .0035 .0045 -.0017 |
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O12 .28695 .66807 .0247 .0163 .0107 .0172 .0179 .0023 .0005 .0011 |
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O13 .24870 .11496 .0376 .50 .0236 .0244 .0148 .0259 -.0031 .0007 .0017 |
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F13 .24870 .11496 .0376 .50 .0236 .0244 .0148 .0259 -.0031 .0007 .0017 |
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O14 .22732 .11474 .4465 .50 .0214 .0198 .0147 .0320 -.0056 .0119 -.0062 |
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F14 .22732 .11474 .4465 .50 .0214 .0198 .0147 .0320 -.0056 .0119 -.0062 |
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F15 .23863 .88857 .74341 .0141 .0149 .0121 .0136 .0003 .0021 .0011 |
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O16 .21728 .89070 .2255 .50 .0177 .0257 .0116 .0184 -.0047 .0106 -.0012 |
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F16 .21728 .89070 .2255 .50 .0177 .0257 .0116 .0184 -.0047 .0106 -.0012 |
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O17 .08994 .38911 .4246 .0256 .0395 .0294 .0099 -.0090 .0110 -.0015 |
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O18 .52382 .12368 .6391 .0175 .0196 .0247 .0086 .0036 .0051 .0015 |
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View JMOL 3-D Structure (permalink) |
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Wohlerite |
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Shibaeva R I, Belov N V |
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Doklady Akademii Nauk SSSR 146 (1963) 897-900 |
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Crystal structure of wohlerite, Ca2Na(Zr,Nb)[Si2O7](OH)2 |
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_database_code_amcsd 0012441 |
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10.80 10.26 7.26 90 108.95 90 P2_1 |
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atom x y z occ Biso |
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Na1 .128 .065 .682 .91 |
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Na2 .369 .925 .055 .91 |
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Ca1 .345 .306 .031 .91 |
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Ca2 .152 .696 .200 .91 |
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Ca3 .369 .931 .563 .91 |
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Ca4 .152 .696 .690 .91 |
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Zr1 .345 .306 .548 .5 .91 |
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Nb1 .345 .306 .548 .5 .91 |
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Zr2 .128 .065 .193 .5 .91 |
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Nb2 .128 .065 .193 .5 .91 |
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Si1 .063 .384 .185 .91 |
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Si2 .083 .375 .630 .91 |
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Si3 .433 .618 .615 .91 |
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Si4 .433 .639 .059 .91 |
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O1 .033 .377 .386 .91 |
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O2 .433 .624 .848 .91 |
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O3 .005 .252 .089 .91 |
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O4 .001 .257 .645 .91 |
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O5 .005 .512 .086 .91 |
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O6 .000 .512 .650 .91 |
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O7 .233 .385 .250 .91 |
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O8 .227 .383 .696 .91 |
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O9 .461 .480 .625 .91 |
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O10 .460 .480 .117 .91 |
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O11 .469 .244 .392 .91 |
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O12 .457 .240 .796 .91 |
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O13 .290 .667 .500 .91 |
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O14 .290 .667 .043 .91 |
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OH1 .225 .150 .975 .91 |
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OH2 .250 .100 .467 .91 |
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OH3 .223 .894 .721 .91 |
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F .229 .894 .241 .91 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Wohlerite |
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Mellini M, Merlino S |
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Tschermaks Mineralogische und Petrographische Mitteilungen 26 (1979) 109-123 |
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Refinement of the crystal structure of wohlerite |
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Locality: Brevig, Norway |
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_database_code_amcsd 0015674 |
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10.823 10.244 7.290 90 109.00 90 P2_1 |
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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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Na1 .12210 .06891 .68654 1.25 .00323 .00187 .00911 .00121 .00232 .00137 |
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Na2 .36673 .91655 .55120 1.06 .00251 .00303 .00496 .00038 .00160 .00040 |
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Ca1 .34605 .30037 .55184 .78 .00187 .00184 .00406 -.00059 .00087 -.00048 |
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Zr .34201 .28972 .05379 .42 .00098 .00122 .00185 .00016 .00046 .00000 |
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Nb .13104 .05243 .19173 .74 .00231 .00138 .00426 -.00023 .00165 -.00003 |
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Ca2 .14570 .6815 .19979 .56 .00128 .00169 .00259 -.00046 .00089 -.00026 |
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Ca3 .36750 .91284 .05383 .73 .00155 .00213 .00316 -.00009 .00052 -.00034 |
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Ca4 .15345 .6836 .69983 .62 .00153 .00153 .00304 -.00031 .00076 -.00015 |
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Si1 .07971 .37343 .19749 .42 .00103 .00099 .00206 .00015 .00034 .00017 |
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Si2 .07238 .36493 .63666 .44 .00121 .00097 .00223 .00006 .00059 .00012 |
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Si3 .43941 .61333 .56312 .49 .00124 .00125 .00242 -.00005 .00074 .00001 |
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Si4 .43303 .6126 .12460 .44 .00120 .00101 .00200 -.00009 .00044 -.00009 |
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O1 .0095 .2364 .1200 .82 .00216 .00159 .00408 .0000 .00047 .00000 |
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O2 -.0197 .2413 .6175 .82 .00177 .00178 .00518 -.00029 .00108 -.00008 |
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O3 .0056 .5017 .0851 .95 .00272 .00162 .00440 .00067 .00030 .00088 |
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O4 .0185 .4994 .6984 .93 .00218 .00149 .00741 .00002 .00230 -.00113 |
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O5 .2322 .3754 .2078 .95 .00184 .00280 .00586 .00010 .00206 -.00033 |
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O6 .2209 .3363 .7744 .99 .00161 .00335 .00456 .00030 .00030 .00084 |
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O7 .4892 .4720 .6505 1.02 .00198 .00185 .00492 -.00019 -.00050 .00061 |
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O8 .4573 .4644 .0718 .91 .00225 .00146 .00722 -.00007 .00244 -.00042 |
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O9 .4746 .2359 .3195 .87 .00190 .00197 .00387 .00018 -.00033 .00080 |
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O10 .4630 .2165 .9120 1.12 .00285 .00259 .00652 .00072 .00234 -.00070 |
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O11 .2865 .6398 .5154 1.24 .00187 .00438 .00592 .00061 .00127 -.00042 |
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O12 .2888 .6700 .0234 1.01 .00155 .00297 .00556 .00075 .00057 .00070 |
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O13 .2449 .1173 .0435 .92 .00250 .00139 .00616 -.00025 .00156 -.00007 |
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O14 .2236 .1183 .4363 .77 .00160 .00164 .00459 -.00063 .00048 -.00091 |
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F15 .2393 .8891 .7435 .91 .00223 .00216 .00400 .00019 .00046 .00030 |
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O16 .2136 .8927 .2241 .77 .00248 .00108 .00503 -.00024 .00192 .00000 |
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O17 .0867 .3950 .4228 1.39 .00505 .00375 .00342 -.00061 .00239 -.00013 |
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O18 .5230 .1240 .6400 1.10 .00284 .00362 .00323 .00024 .00117 .00007 |
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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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