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Chondrodite |
 |
Gibbs G V, Ribbe P H, Anderson C P |
 |
American Mineralogist 55 (1970) 1182-1194 |
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The crystal structures of the humite minerals. II. Chondrodite |
|
_database_code_amcsd 0000208 |
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4.7284 10.2539 7.8404 109.059 90 90 P2_1/b |
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atom x y z occ Biso |
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Mg1 .5 0 .5 .95 .49 |
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Fe1 .5 0 .5 .05 .49 |
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Mg2 .0091 .1731 .3055 .45 |
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Mg3 .4915 .8867 .0791 .43 |
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Si .0768 .1441 .7038 .20 |
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O1 .7787 .0009 .2937 .36 |
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O2 .7280 .2404 .1252 .40 |
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O3 .2255 .1682 .5275 .35 |
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O4 .2649 .8546 .2943 .42 |
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OH .2656 .0582 .1018 .35 .50 |
|
F .2656 .0582 .1018 .65 .50 |
|
|
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| |
|
Chondrodite |
|
Fujino K, Takeuchi Y |
|
American Mineralogist 63 (1978) 535-543 |
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Crystal chemistry of titanian chondrodite and titanian clinohumite of |
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high-pressure origin |
|
_database_code_amcsd 0000667 |
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4.727 10.318 7.9053 109.333 90 90 P2_1/b |
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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 .5 0 .5 .91 .00462 .00121 .00173 -.00004 .00044 .00004 |
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Fe1 .5 0 .5 .09 .00462 .00121 .00173 -.00004 .00044 .00004 |
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Mg2 .01538 .17316 .30648 .87 .00623 .00119 .00238 .00015 -.00005 .00052 |
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Fe2 .01538 .17316 .30648 .12 .00623 .00119 .00238 .00015 -.00005 .00052 |
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Ti2 .01538 .17316 .30648 .01 .00623 .00119 .00238 .00015 -.00005 .00052 |
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Mg3 .49525 .89343 .07466 .66 .00600 .00241 .00243 .00081 -.00091 -.00026 |
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Fe3 .49525 .89343 .07466 .13 .00600 .00241 .00243 .00081 -.00091 -.00026 |
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Ti3 .49525 .89343 .07466 .21 .00600 .00241 .00243 .00081 -.00091 -.00026 |
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Si .07499 .14380 .70431 .00351 .00109 .00179 -.00014 -.00016 .00033 |
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O1 .77728 .00071 .29554 .00493 .00103 .00247 -.00031 .00037 .00047 |
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O2 .72461 .24271 .12284 .00567 .00125 .00244 .00010 .00008 -.00013 |
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O3 .22378 .16998 .53152 .00504 .00158 .00200 .00023 .00059 .00076 |
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O4 .26619 .85625 .29560 .00339 .00156 .00256 -.00015 .00006 .00074 |
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OH .25658 .05534 .09607 .00991 .00210 .00316 .00000 .00158 .00009 |
|
|
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| |
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Chondrodite |
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Ottolini L, Camara F, Bigi S |
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American Mineralogist 85 (2000) 89-102 |
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An investigation of matrix effects in the analysis of fluorine in humite-group |
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minerals by EMPA, SIMS, and SREF |
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Sample: Chum HV-41 n.2 |
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_database_code_amcsd 0002337 |
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4.7405 10.2377 13.6496 100.843 90 90 P2_1/b |
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atom x y z occ Biso |
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Si1 .07329 .06623 .38930 .31 |
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Si2 .07641 .17670 .83511 .31 |
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Mg1A .5 0 .5 .46 |
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Mg1B .49743 .94627 .27421 .48 |
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Mg25 .00928 .14038 .17026 .49 |
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Mg26 .50876 .25023 .38825 .45 |
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Mg3 .49277 .87792 .04299 .52 |
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O11 .73294 .06451 .38811 .41 |
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O12 .27787 .41947 .38776 .40 |
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O13 .22308 .11240 .29312 .43 |
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O14 .22238 .15881 .48636 .43 |
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O21 .23624 .32276 .16287 .40 |
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O22 .77897 .96885 .16257 .44 |
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O23 .72430 .27994 .26273 .45 |
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O24 .72808 .22680 .07021 .45 |
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F5 .26152 .04630 .05566 .64 .68 |
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O5 .26152 .04630 .05566 .36 .68 |
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H .067 -.021 .013 .33 4.51 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Chondrodite |
|
Ottolini L, Camara F, Bigi S |
|
American Mineralogist 85 (2000) 89-102 |
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An investigation of matrix effects in the analysis of fluorine in humite-group |
|
minerals by EMPA, SIMS, and SREF |
|
Sample: Chond HV-43 n.3 |
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_database_code_amcsd 0002339 |
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4.7230 10.2584 7.8504 109.076 90 90 P2_1/b |
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atom x y z occ Biso |
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Si .07656 .14403 .70374 .35 |
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Mg1 .5 0 .5 .52 |
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Mg2 .00943 .17358 .30654 .49 |
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Mg3 .49214 .88645 .07927 .49 |
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O1 .77761 .00156 .29407 .46 |
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O2 .72731 .24074 .12567 .42 |
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O3 .22439 .16824 .52798 .41 |
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O4 .26401 .85487 .29478 .39 |
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F5 .26227 .05742 .10053 .62 .68 |
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O5 .26227 .05742 .10053 .38 .68 |
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H .143 .024 .021 .38 3.79 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Chondrodite |
|
Ottolini L, Camara F, Bigi S |
|
American Mineralogist 85 (2000) 89-102 |
|
An investigation of matrix effects in the analysis of fluorine in humite-group |
|
minerals by EMPA, SIMS, and SREF |
|
Sample: Chond HV-43 n.4 |
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_database_code_amcsd 0002340 |
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4.7226 10.2564 7.8490 109.076 90 90 P2_1/b |
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atom x y z occ Biso |
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Si .07642 .14413 .70375 .37 |
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Mg1 .5 0 .5 .51 |
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Mg2 .00936 .17352 .30652 .5 |
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Mg3 .49218 .88645 .07939 .5 |
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O1 .77749 .00158 .29381 .48 |
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O2 .72730 .24078 .12569 .45 |
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O3 .22456 .16834 .52795 .45 |
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O4 .26413 .85492 .29496 .42 |
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F .26252 .05756 .10064 .62 .73 |
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O5 .26252 .05756 .10064 .38 .73 |
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H .100 .016 .023 .38 .41 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Chondrodite |
|
Friedrich A, Lager G A, Kunz M, Chakoumakos B C, Smyth J R, Schultz A J |
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American Mineralogist 86 (2001) 981-989 |
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Temperature-dependent single-crystal neutron diffraction study of natural |
|
chondrodite and clinohumite |
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Sample from Tilley Foster Mine, Brewster, NY at T = 295 K |
|
_database_code_amcsd 0002666 |
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4.7401 10.2843 7.8831 109.097 90 90 P2_1/b |
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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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Mg(1) .5 0 .5 .880 .0089 .00643 .00867 .01003 .00046 .00028 .00184 |
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Fe(1) .5 0 .5 .120 .0089 .00643 .00867 .01003 .00046 .00028 .00184 |
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Mg(2) .0104 .17356 .3072 .0078 .00628 .00694 .01029 .00027 .00016 .00299 |
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Mg(3) .4921 .88631 .0792 .0088 .00784 .00850 .00961 .00005 .00039 .00289 |
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Si1 .0760 .1442 .7040 .0067 .0034 .0073 .0089 .00003 .00029 .00250 |
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O1 .7792 .00099 .2941 .0086 .00734 .00758 .01077 .00008 .00016 .00323 |
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O2 .7268 .24079 .1251 .0087 .00645 .00786 .00997 .00016 .00067 .00112 |
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O3 .2238 .16899 .5286 .0090 .00687 .01006 .00995 .00029 .00020 .00414 |
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O4 .2646 .85471 .2946 .0086 .00505 .00926 .01092 .00008 .00002 .00306 |
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O(H) .2593 .05668 .0988 .430 .0114 .01050 .00973 .01374 .00166 .00327 .00402 |
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H .0895 .0138 .0190 .430 .0269 .0145 .0304 .0280 .0045 .0067 .0029 |
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F .2593 .05668 .0988 .570 .0114 .01050 .00973 .01374 .00166 .00327 .00402 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Chondrodite |
|
Friedrich A, Lager G A, Kunz M, Chakoumakos B C, Smyth J R, Schultz A J |
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American Mineralogist 86 (2001) 981-989 |
|
Temperature-dependent single-crystal neutron diffraction study of natural |
|
chondrodite and clinohumite |
|
Sample: from Tilley Foster Mine, Brewster, NY at T = 100 K |
|
_database_code_amcsd 0002667 |
|
4.7345 10.2674 7.8716 109.060 90 90 P2_1/b |
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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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Mg(1) .5 0 .5 .89 .0060 .00568 .00538 .00548 .00019 .00001 .00048 |
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Fe(1) .5 0 .5 .11 .0060 .00568 .00538 .00548 .00019 .00001 .00048 |
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Mg(2) .0102 .17377 .3069 .0054 .00476 .00497 .00568 .00002 .00031 .00114 |
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Mg(3) .4924 .88658 .0794 .0066 .00622 .00624 .00638 .00012 .00012 .00154 |
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Si1 .0758 .1442 .7041 .0054 .0039 .0055 .0055 .00010 .00007 .00091 |
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O1 .7788 .00120 .2940 .0066 .00635 .00599 .00680 .00004 .00018 .00169 |
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O2 .7272 .24065 .1252 .0066 .00572 .00582 .00642 .00004 .00060 .00024 |
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O3 .2239 .16886 .5284 .0069 .00614 .00737 .00642 .00020 .00008 .00218 |
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O4 .2649 .85492 .2948 .0066 .00475 .00695 .00683 .00023 .00004 .00147 |
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O(H) .2590 .05679 .0987 .432 .0086 .00875 .00748 .00862 .00091 .00240 .00207 |
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H .0885 .0135 .0194 .432 .0218 .0118 .0258 .0215 .0035 .0052 .0027 |
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F .2590 .05679 .0987 .568 .0086 .00875 .00748 .00862 .00091 .00240 .00207 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Chondrodite |
|
Friedrich A, Lager G A, Kunz M, Chakoumakos B C, Smyth J R, Schultz A J |
|
American Mineralogist 86 (2001) 981-989 |
|
Temperature-dependent single-crystal neutron diffraction study of natural |
|
chondrodite and clinohumite |
|
Sample from Tilley Foster Mine, Brewster, NY at T = 10 K |
|
_database_code_amcsd 0002668 |
|
4.7321 10.2641 7.8673 109.052 90 90 P2_1/b |
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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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Mg(1) .5 0 .5 .89 .0055 .00398 .00584 .00492 .00006 .00005 .00021 |
|
Fe(1) .5 0 .5 .11 .0055 .00398 .00584 .00492 .00006 .00005 .00021 |
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Mg(2) .0102 .17382 .3069 .0050 .00345 .00476 .00582 .00036 .00030 .00095 |
|
Mg(3) .4925 .88651 .0795 .0060 .00501 .00612 .00599 .00044 .00038 .00127 |
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Si1 .0761 .1443 .7041 .0048 .0034 .0050 .0052 .00021 .00025 .00094 |
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O1 .7789 .00113 .2939 .0061 .00528 .00586 .00650 .00000 .00001 .00153 |
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O2 .7273 .24056 .1251 .0061 .00456 .00592 .00612 .00040 .00068 .00024 |
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O3 .2241 .16887 .5284 .0063 .00483 .00708 .00617 .00011 .00018 .00195 |
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O4 .2651 .85480 .2947 .0063 .00425 .00684 .00668 .00023 .00027 .00143 |
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O(H) .2590 .05677 .0987 .422 .0080 .00788 .00694 .00832 .00094 .00235 .00185 |
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H .0896 .0139 .0192 .422 .0201 .0100 .0232 .0200 .0029 .0034 .0003 |
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F .2590 .05677 .0987 .578 .0080 .00788 .00694 .0083 .00094 .00235 .00185 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Chondrodite |
|
Friedrich A, Lager G A, Ulmer P, Kunz M, Marshall W G |
|
American Mineralogist 87 (2002) 931-939 |
|
High-pressure single-crystal X-ray and powder neutron study of |
|
F,OH/OD-chondrodite: Compressibility, structure, and hydrogen bonding |
|
Sample: P = 0.0001 GPa, X-ray |
|
_database_code_amcsd 0002860 |
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4.7328 10.2765 7.8760 109.081 90 90 P2_1/b |
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atom x y z occ Uiso |
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MgM1 1/2 0 1/2 .90 .009 |
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FeM1 1/2 0 1/2 .10 .009 |
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MgM2 .0115 .1731 .3076 .008 |
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MgM3 .4922 .8868 .0783 .010 |
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Si .0773 .1432 .7051 .0085 |
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O1 .782 -.001 .295 .013 |
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O2 .727 .243 .125 .011 |
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O3 .223 .165 .532 .013 |
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O4 .266 .852 .296 .013 |
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OH5 .261 .056 .100 .42 .014 |
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F5 .261 .056 .100 .58 .014 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Chondrodite |
|
Friedrich A, Lager G A, Ulmer P, Kunz M, Marshall W G |
|
American Mineralogist 87 (2002) 931-939 |
|
High-pressure single-crystal X-ray and powder neutron study of |
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F,OH/OD-chondrodite: Compressibility, structure, and hydrogen bonding |
|
Sample: P = 4.952 GPa, X-ray |
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_database_code_amcsd 0002861 |
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4.6881 10.1222 7.7660 108.989 90 90 P2_1/b |
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atom x y z occ Uiso |
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MgM1 1/2 0 1/2 .90 .010 |
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FeM1 1/2 0 1/2 .10 .010 |
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MgM2 .0097 .1746 .3054 .008 |
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MgM3 .4917 .8871 .0791 .009 |
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Si .0760 .1441 .7045 .008 |
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O1 .780 .000 .2936 .014 |
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O2 .729 .241 .125 .011 |
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O3 .225 .167 .5286 .014 |
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O4 .2678 .854 .293 .013 |
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OH5 .2581 .057 .0985 .42 .014 |
|
F5 .2581 .057 .0985 .58 .014 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Chondrodite |
|
Friedrich A, Lager G A, Ulmer P, Kunz M, Marshall W G |
|
American Mineralogist 87 (2002) 931-939 |
|
High-pressure single-crystal X-ray and powder neutron study of |
|
F,OH/OD-chondrodite: Compressibility, structure, and hydrogen bonding |
|
Sample: P = 9.550 GPa, X-ray |
|
_database_code_amcsd 0002862 |
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4.65459 10.0033 7.6828 108.939 90 90 P2_1/b |
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atom x y z occ Uiso |
|
MgM1 1/2 0 1/2 .90 .010 |
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FeM1 1/2 0 1/2 .10 .010 |
|
MgM2 .0106 .1748 .3054 .009 |
|
MgM3 .4924 .8885 .0800 .010 |
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Si .0754 .1444 .7038 .010 |
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O1 .778 .001 .296 .014 |
|
O2 .7306 .239 .123 .010 |
|
O3 .228 .169 .526 .013 |
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O4 .2694 .853 .295 .013 |
|
OH5 .2581 .056 .0983 .42 .015 |
|
F5 .2581 .056 .0983 .58 .015 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Chondrodite |
|
Friedrich A, Lager G A, Ulmer P, Kunz M, Marshall W G |
|
American Mineralogist 87 (2002) 931-939 |
|
High-pressure single-crystal X-ray and powder neutron study of |
|
F,OH/OD-chondrodite: Compressibility, structure, and hydrogen bonding |
|
Sample: P = 1.26 GPa, Neutron |
|
_database_code_amcsd 0002863 |
|
4.7179 10.2247 7.8290 109.01 90 90 P2_1/b |
|
atom x y z occ Uiso |
|
MgM1 1/2 0 1/2 .0025 |
|
MgM2 .013 .1748 .306 .0025 |
|
MgM3 .495 .8870 .0796 .0025 |
|
Si .0772 .1417 .703 .006 |
|
O1 .775 .0017 .297 .0049 |
|
O2 .732 .2419 .124 .0049 |
|
O3 .225 .1681 .528 .0049 |
|
O4 .267 .8570 .296 .0049 |
|
O5 .263 .058 .103 .45 .008 |
|
F5 .263 .058 .103 .55 .008 |
|
D .108 .022 .019 .45 .040 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Chondrodite |
|
Friedrich A, Lager G A, Ulmer P, Kunz M, Marshall W G |
|
American Mineralogist 87 (2002) 931-939 |
|
High-pressure single-crystal X-ray and powder neutron study of |
|
F,OH/OD-chondrodite: Compressibility, structure, and hydrogen bonding |
|
Sample: P = 2.89 GPa, Neutron |
|
_database_code_amcsd 0002864 |
|
4.7024 10.1742 7.7938 109.00 90 90 P2_1/b |
|
atom x y z occ Uiso |
|
MgM1 1/2 0 1/2 .0034 |
|
MgM2 .010 .1748 .305 .0034 |
|
MgM3 .501 .8860 .079 .0034 |
|
Si .0767 .1410 .706 .004 |
|
O1 .774 .0034 .299 .0063 |
|
O2 .729 .2394 .124 .0063 |
|
O3 .223 .1695 .530 .0063 |
|
O4 .266 .8578 .300 .0063 |
|
O5 .263 .059 .106 .45 .002 |
|
F5 .263 .059 .106 .55 .002 |
|
D .103 .022 .020 .45 .030 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Chondrodite |
|
Friedrich A, Lager G A, Ulmer P, Kunz M, Marshall W G |
|
American Mineralogist 87 (2002) 931-939 |
|
High-pressure single-crystal X-ray and powder neutron study of |
|
F,OH/OD-chondrodite: Compressibility, structure, and hydrogen bonding |
|
Sample: P = 3.87 GPa, Neutron |
|
_database_code_amcsd 0002865 |
|
4.6939 10.1458 7.7722 108.98 90 90 P2_1/b |
|
atom x y z occ Uiso |
|
MgM1 1/2 0 1/2 .0013 |
|
MgM2 .011 .1746 .3050 .0013 |
|
MgM3 .493 .8858 .0786 .0013 |
|
Si .0769 .1407 .704 .003 |
|
O1 .771 .0022 .295 .0052 |
|
O2 .731 .2413 .124 .0052 |
|
O3 .227 .1685 .5278 .0052 |
|
O4 .2676 .8565 .297 .0052 |
|
O5 .262 .059 .103 .45 .006 |
|
F5 .262 .059 .103 .55 .006 |
|
D .099 .021 .024 .45 .031 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Chondrodite |
|
Friedrich A, Lager G A, Ulmer P, Kunz M, Marshall W G |
|
American Mineralogist 87 (2002) 931-939 |
|
High-pressure single-crystal X-ray and powder neutron study of |
|
F,OH/OD-chondrodite: Compressibility, structure, and hydrogen bonding |
|
Sample: P = 5.27 GPa, Neutron |
|
_database_code_amcsd 0002866 |
|
4.6827 10.1055 7.7449 108.98 90 90 P2_1/b |
|
atom x y z occ Uiso |
|
MgM1 1/2 0 1/2 .0022 |
|
MgM2 .011 .1750 .303 .0022 |
|
MgM3 .494 .8864 .0781 .0022 |
|
Si .0775 .1409 .702 .001 |
|
O1 .773 .0022 .296 .0052 |
|
O2 .729 .2411 .123 .0052 |
|
O3 .227 .1692 .525 .0052 |
|
O4 .268 .8565 .296 .0052 |
|
O5 .264 .0572 .101 .45 .002 |
|
F5 .264 .0572 .101 .55 .002 |
|
D .105 .015 .024 .45 .038 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Chondrodite |
|
Friedrich A, Lager G A, Ulmer P, Kunz M, Marshall W G |
|
American Mineralogist 87 (2002) 931-939 |
|
High-pressure single-crystal X-ray and powder neutron study of |
|
F,OH/OD-chondrodite: Compressibility, structure, and hydrogen bonding |
|
Sample: P = 7.04 GPa, Neutron |
|
_database_code_amcsd 0002867 |
|
4.6688 10.0589 7.7127 108.98 90 90 P2_1/b |
|
atom x y z occ Uiso |
|
Mg1 1/2 0 1/2 .0007 |
|
Mg2 .012 .1746 .304 .0007 |
|
Mg3 .497 .8878 .0787 .0007 |
|
Si .0770 .1419 .705 .001 |
|
O1 .774 .0028 .294 .0030 |
|
O2 .735 .2391 .123 .0030 |
|
O3 .225 .1696 .525 .0030 |
|
O4 .268 .8565 .295 .0030 |
|
O5 .261 .057 .100 .45 .006 |
|
F5 .261 .057 .100 .55 .006 |
|
D .102 .021 .027 .45 .037 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Chondrodite |
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Kunz M, Lager G A, Burgi H B, Fernandez-Diaz M T |
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Physics and Chemistry of Minerals 33 (2006) 17-27 |
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High-temperature single-crystal neutron diffraction |
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study of natural chondrodite |
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Locality: Tilly Foster Mine, Brewster, New York |
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Sample: T = 500 K |
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_database_code_amcsd 0009017 |
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4.7375 10.2920 7.8897 109.071 90 90 P2_1/b |
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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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Mg1 .5 0 .5 .88 .0081 .0064 .0086 .0078 .0010 .0013 .0006 |
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Fe1 .5 0 .5 .12 .0081 .0064 .0086 .0078 .0010 .0013 .0006 |
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Mg2 .0104 .17338 .30720 .00747 .0074 .0069 .0085 .0003 -.0001 .0031 |
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Mg3 .4917 .88608 .07902 .00810 .0083 .0085 .0078 -.0001 -.0007 .0031 |
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Si .0764 .14428 .70407 .0053 .0037 .0062 .0060 -.0001 -.0001 .0019 |
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O1 .7794 .00060 .29406 .00778 .0074 .0064 .0101 .0002 .0003 .0035 |
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O2 .7267 .24097 .12552 .00803 .0072 .0075 .0075 -.0002 .0006 -.0002 |
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O3 .2235 .16901 .52906 .00783 .0070 .0103 .0072 -.0003 .0001 .0043 |
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O4 .26390 .85468 .29459 .00763 .0043 .0094 .0091 -.0001 .0001 .0028 |
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Oh5 .247 .0532 .0922 .43 .0100 .0097 .0094 .0104 .0005 .0017 .0027 |
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H .0899 .0139 .0197 .43 .0272 .018 .030 .028 -.0038 -.0057 .0025 |
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F .2686 .0592 .1038 .57 .0100 .0097 .0094 .0104 .0005 .0017 .0027 |
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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) |
| |
|
Chondrodite |
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Kunz M, Lager G A, Burgi H B, Fernandez-Diaz M T |
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Physics and Chemistry of Minerals 33 (2006) 17-27 |
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High-temperature single-crystal neutron diffraction |
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study of natural chondrodite |
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Locality: Tilly Foster Mine, Brewster, New York |
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Sample: T = 700 K |
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_database_code_amcsd 0009018 |
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4.7426 10.3082 7.9010 109.072 90 90 P2_1/b |
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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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Mg1 .5 0 .5 .88 .0112 .0089 .0122 .0105 .0017 .0019 .0010 |
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Fe1 .5 0 .5 .12 .0112 .0089 .0122 .0105 .0017 .0019 .0010 |
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Mg2 .0106 .17317 .30750 .01029 .0101 .0096 .0117 .0005 -.0002 .0043 |
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Mg3 .4913 .88585 .07874 .01097 .0111 .0114 .0107 -.0001 -.0012 .0040 |
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Si .0764 .14429 .70404 .00703 .0047 .0082 .0079 -.0002 -.0000 .0022 |
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O1 .77955 .00036 .29422 .01037 .0097 .0085 .0137 .0002 .0004 .0047 |
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O2 .72627 .24116 .12571 .01072 .0094 .0102 .0100 -.0003 .0008 -.0001 |
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O3 .22333 .16910 .52937 .01046 .0089 .0142 .0097 -.0003 .0003 .0058 |
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O4 .26330 .85451 .29455 .01019 .0054 .0128 .0122 -.0001 .0002 .0039 |
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Oh5 .247 .0531 .0923 .43 .0135 .0129 .0130 .0144 .0010 .0026 .0041 |
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H .0907 .0141 .0201 .43 .0344 .023 .039 .035 -.0055 -.0075 .004 |
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F .2685 .0589 .1038 .57 .0135 .0129 .0130 .0144 .0010 .0026 .0041 |
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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) |
| |
|
Chondrodite |
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Kunz M, Lager G A, Burgi H B, Fernandez-Diaz M T |
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Physics and Chemistry of Minerals 33 (2006) 17-27 |
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High-temperature single-crystal neutron diffraction |
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study of natural chondrodite |
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Locality: Tilly Foster Mine, Brewster, New York |
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Sample: T = 900 K |
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_database_code_amcsd 0009019 |
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4.7501 10.3297 7.91912 109.048 90 90 P2_1/b |
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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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Mg1 .5 0 .5 .88 .0144 .0105 .0161 .0141 .0020 .0023 .0016 |
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Fe1 .5 0 .5 .12 .0144 .0105 .0161 .0141 .0020 .0023 .0016 |
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Mg2 .0106 .17278 .3077 .0128 .0122 .0127 .0144 .0007 -.0004 .0055 |
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Mg3 .4910 .88556 .0785 .0137 .0130 .0151 .0134 -.0003 -.0015 .0052 |
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Si .0766 .14445 .7039 .0087 .0050 .0104 .0105 -.0002 -.0002 .0031 |
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O1 .7800 .00004 .29439 .0128 .0115 .0109 .0169 .0006 .0007 .0057 |
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O2 .7259 .24156 .12591 .0135 .0111 .0133 .0127 -.0004 .0010 -.0006 |
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O3 .2233 .16916 .52968 .0130 .0106 .0183 .0118 -.0005 .0005 .0074 |
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O4 .2626 .85449 .29471 .0128 .0059 .0170 .0154 -.0001 .0004 .0050 |
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Oh5 .247 .0529 .0921 .43 .0172 .0155 .0172 .0188 .0010 .0031 .0056 |
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H .0924 .0146 .0215 .43 .0410 .029 .044 .042 -.006 -.007 .004 |
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F .2693 .0589 .1043 .57 .0172 .0155 .0172 .0188 .0010 .0031 .0056 |
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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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Chondrodite |
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Berry A J, James M |
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Mineralogical Magazine 66 (2002) 441-449 |
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Refinement of hydrogen positions in natural chondrodite by powder neutron |
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diffraction: implications for the stability of humite minerals |
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Locality: Orange county, New York, USA |
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_database_code_amcsd 0019536 |
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4.7204 10.2360 7.8252 109.11 90 90 P2_1/b |
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atom x y z occ Biso |
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Mg1 .5 0 .5 .93 .7 |
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Fe1 .5 0 .5 .07 .7 |
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Mg2 .0125 .1711 .3052 .7 |
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Mg3 .4979 .8845 .0781 .6 |
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Si .0784 .1459 .7027 1.0 |
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O1 .7805 -.0001 .2926 1.1 |
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O2 .7254 .2417 .1263 .7 |
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O3 .2286 .1692 .5263 1.2 |
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O4 .2657 .8527 .2920 .8 |
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F5 .2726 .0561 .1007 .77 .9 |
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O5 .2726 .0561 .1007 .23 .9 |
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H1 .082 .023 .028 .23 3.0 |
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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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