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Veszelyite |
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Ghose S, Leo S R, Wan C |
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American Mineralogist 59 (1974) 573-581 |
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Structural chemistry of copper and zinc minerals. Part I. Veszelyite, |
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(Cu,Zn)2ZnPO4(OH)3*2H2O: A novel type of sheet structure and crystal |
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chemistry of copper-zinc substitution |
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Locality: Arakawa mine, Japan |
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_database_code_amcsd 0000408 |
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9.8275 10.2244 7.5322 90 103.18 90 P2_1/a |
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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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Cu1 .12991 .07328 .49115 .885 .00318 .00172 .00583 -.00070 .00224 -.00078 |
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Zn1 .12991 .07328 .49115 .115 .00318 .00172 .00583 -.00070 .00224 -.00078 |
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Cu2 .35837 .25318 .45957 .885 .00321 .00165 .00527 -.00062 .00211 -.00039 |
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Zn2 .35837 .25318 .45957 .115 .00321 .00165 .00527 -.00062 .00211 -.00039 |
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Zn .21036 .07612 .06936 .00308 .00184 .00534 -.00020 .00149 -.00040 |
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P .41433 .29884 .06551 .00273 .00155 .00451 .00002 .00166 .00021 |
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O1 .03230 .15904 .97475 .00324 .00322 .00553 .00120 .00168 .00017 |
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O2 .35754 .16623 .98344 .00466 .00152 .00712 -.00088 .00253 -.00069 |
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O3 .46803 .28632 .27424 .00434 .00237 .00352 -.00056 .00176 -.00021 |
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O4 .29531 .39994 .02472 .00365 .00190 .00904 .00091 .00231 .00179 |
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OH1 .26853 .08673 .33723 .00424 .00189 .00450 -.00014 .00270 -.00013 |
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OH2 .23522 .21782 .62330 .00332 .00220 .00487 -.00075 .00211 -.00041 |
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OH3 .46392 .40724 .60096 .00210 .00161 .00563 -.00027 .00149 -.00026 |
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Wat1 .03710 .38414 .65793 .00395 .00373 .01254 .00004 .00107 -.00019 |
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Wat2 .19138 .40815 .31930 .00569 .00450 .00780 .00034 .00301 .00001 |
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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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Veszelyite |
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Danisi R M, Armbruster T, Lazic B, Vulic P, Kaindl R, Dimitrijevic R, Kahlenberg V |
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American Mineralogist 98 (2013) 1261-1269 |
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In situ dehydration behavior of veszelyite (Cu,Zn)2Zn(PO4)(OH)3*2H2O: |
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A single-crystal X-ray study |
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Note: T = 173 K |
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Locality: Zdravo Vrelo, near Kresevo (Bosnia and Herzegovina) |
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_database_code_amcsd 0019906 |
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7.4863 10.1933 9.7895 90 103.180 90 P2_1/c |
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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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Cu1 .49198 .07238 .13093 .875 .01181 .01297 .01154 .01180 -.00167 .00469 -.00213 |
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Zn1 .49198 .07238 .13093 .125 .01181 .01297 .01154 .01180 -.00167 .00469 -.00213 |
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Cu2 .46096 .25245 .35993 .875 .01138 .01200 .01090 .01196 -.00092 .00420 -.00158 |
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Zn2 .46096 .25245 .35993 .125 .01138 .01200 .01090 .01196 -.00092 .00420 -.00158 |
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Zn3 .06992 .07500 .21193 .01153 .01203 .01120 .01152 -.00074 .00300 -.00063 |
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P .06580 .29795 .41612 .01046 .0108 .0099 .0109 -.0001 .0029 -.0007 |
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O1 .9742 .1587 .0333 .0143 .0129 .0163 .0141 .0003 .0040 .0031 |
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O2 .9831 .1641 .3609 .0132 .0145 .0117 .0140 -.0003 .0048 -.0022 |
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O3 .2755 .2848 .4716 .0127 .0117 .0152 .0118 -.0010 .0038 -.0019 |
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O4 .0241 .3981 .2950 .0142 .0169 .0113 .0149 .0033 .0046 .0011 |
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Oh1 .3385 .0858 .2706 .0113 .0111 .0123 .0107 -.0007 .0027 .0001 |
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H1 .357 .024 .344 .027 |
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Oh2 .6236 .2176 .2349 .0123 .0115 .0132 .0123 -.0010 .0031 -.0016 |
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H2 .741 .185 .279 .047 |
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Oh3 .6002 .40763 .4638 .0113 .0129 .0107 .0112 -.0005 .0046 .0007 |
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H3 .727 .387 .483 .07 |
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OW1 .6558 .3839 .0381 .0193 .0230 .0178 .0175 .0003 .0052 .0014 |
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H4 .766 .376 .007 .046 |
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H5 .653 .323 .110 .033 |
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OW2 .3211 .4065 .1931 .0184 .0151 .0227 .0177 -.0013 .0047 -.0006 |
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H6 .317 .364 .106 .055 |
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H7 .209 .396 .222 .10 |
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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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Veszelyite |
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Danisi R M, Armbruster T, Lazic B, Vulic P, Kaindl R, Dimitrijevic R, Kahlenberg V |
| |
American Mineralogist 98 (2013) 1261-1269 |
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In situ dehydration behavior of veszelyite (Cu,Zn)2Zn(PO4)(OH)3*2H2O: |
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A single-crystal X-ray study |
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Note: T = 296 K |
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Locality: Zdravo Vrelo, near Kresevo (Bosnia and Herzegovina) |
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_database_code_amcsd 0019907 |
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7.5096 10.2281 9.8258 90 103.3040 90 P2_1/c |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Cu1 .49119 .073201 .12977 .01159 .01235 .01255 .01121 -.00264 .00543 -.00326 |
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Cu2 .46075 .25309 .35875 .01117 .01099 .01187 .01168 -.00128 .00472 -.00293 |
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Zn1 .06969 .076074 .21045 .01146 .01111 .01221 .01126 -.00146 .00295 -.00107 |
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P .06592 .29887 .41457 .00931 .0084 .01001 .0099 .00010 .00289 -.00132 |
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O1 .97533 .15924 .03207 .0152 .0129 .0211 .0130 -.0001 .0059 .0051 |
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O2 .98311 .16643 .35793 .0138 .0125 .0129 .0167 -.0018 .0049 -.0043 |
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O3 .27509 .28533 .46986 .0128 .0081 .0164 .0139 -.0005 .0024 -.0021 |
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O4 .0246 .40001 .29562 .0161 .0195 .0140 .0164 .0056 .0071 .0035 |
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Oh1 .33809 .08578 .26875 .0119 .0105 .0131 .0124 -.0009 .0032 .0008 |
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H1 .359 .023 .340 .080 |
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Oh2 .62201 .21779 .23336 .0128 .0112 .0145 .0132 -.0013 .0039 -.0020 |
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H2 .740 .190 .280 .080 |
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Oh3 .59993 .40805 .46354 .0112 .0102 .0120 .0123 .0015 .0043 .0013 |
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H3 .7248 .386 .488 .080 |
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OW1 .6558 .38343 .03669 .0252 .0322 .0237 .0192 .0018 .0049 .0026 |
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H4 .760 .370 .001 .080 |
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H5 .656 .334 .117 .080 |
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OW2 .3199 .40648 .19194 .0238 .0182 .0324 .0221 -.0009 .0075 -.0024 |
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H6 .323 .374 .103 .080 |
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H7 .202 .402 .209 .080 |
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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) |
| |
|
Veszelyite |
|
Danisi R M, Armbruster T, Lazic B, Vulic P, Kaindl R, Dimitrijevic R, Kahlenberg V |
| |
American Mineralogist 98 (2013) 1261-1269 |
|
In situ dehydration behavior of veszelyite (Cu,Zn)2Zn(PO4)(OH)3*2H2O: |
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A single-crystal X-ray study |
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Note: T = 473 K |
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Locality: Zdravo Vrelo, near Kresevo (Bosnia and Herzegovina) |
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_database_code_amcsd 0019908 |
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7.252 9.233 10.520 90 102.076 90 P2_1/c |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Cu1 .4798 .08719 .11512 .0290 .0366 .0255 .0274 -.0023 .0125 -.0030 |
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Cu2 .4742 .22291 .36711 .0315 .0373 .0261 .0335 -.0041 .0129 -.0075 |
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Zn1 .0541 .07741 .19716 .0317 .0377 .0271 .0313 -.0037 .0095 -.0030 |
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P .0902 .2150 -.0771 .0282 .0295 .0237 .0314 -.0041 .0064 .0032 |
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O1 -.0130 .1742 .0301 .035 .036 .035 .035 -.001 .009 .011 |
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O2 -.0201 .1634 .3432 .038 .033 .051 .038 -.003 .020 -.017 |
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O3 .2947 .2645 -.0172 .0302 .036 .029 .027 -.005 .011 .004 |
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O4 -.1070 -.0902 .1639 .051 .061 .041 .056 -.022 .022 -.015 |
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OH1 .3324 .0610 .2501 .034 .043 .026 .038 .003 .021 -.003 |
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OH2 .6023 .2449 .2223 .037 .040 .032 .041 -.007 .014 -.001 |
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OH3 .6005 .1039 -.0372 .0282 .031 .023 .033 .006 .013 .000 |
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Wat1 .6902 .0653 .4712 .067 .062 .049 .091 .016 .019 .023 |
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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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