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Legrandite |
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McLean W J, Anthony J W, Finney J J, Laughon R B |
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American Mineralogist 56 (1971) 1147-1154 |
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The crystal structure of legrandite |
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_database_code_amcsd 0000249 |
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12.805 7.933 10.215 90 104.388 90 P2_1/c |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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As1 .1499 .0548 .2202 .000829 .001470 .000817 -.000076 -.000020 .000191 |
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As2 .3853 .4221 .2140 .000829 .001510 .000766 .000102 .000102 -.000350 |
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Zn1 .4031 .0500 .3896 .001430 .003416 .001813 -.000076 -.000122 .000064 |
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Zn2 .2529 .3314 .4625 .001024 .003377 .002043 -.000178 .000081 -.000191 |
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Zn3 .3620 .8063 .1282 .001706 .001986 .001992 .000102 -.000102 .000573 |
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Zn4 .0100 .2417 .4408 .001479 .004846 .002502 -.000025 .000428 -.000223 |
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O1 .269 .955 .260 .002048 .003218 .001685 .001347 -.000183 -.000924 |
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O2 .140 .159 .073 .001349 .003297 .000715 .000965 -.000774 -.000637 |
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O3 .133 .188 .340 .000211 .009375 .001787 -.000991 .000000 -.000924 |
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O4 .050 .913 .200 .002519 .003575 .002298 -.002185 .000978 -.002007 |
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O5 .479 .950 .241 .001625 .003337 .002196 -.000864 .000815 -.002612 |
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O6 .352 .344 .057 .003543 .004211 -.000562 -.000584 .000957 -.002484 |
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O7 .344 .290 .320 .001609 .001708 .001583 -.000432 .001589 .004077 |
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O8 .320 .608 .218 .002178 .003655 .002017 .001042 .000550 .000701 |
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O9 .081 .534 .143 .003071 .006555 .006052 -.000407 .000957 .003026 |
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O10 .448 .663 .014 .001381 .003774 .001634 .001194 .000265 -.000159 |
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O11 .275 .578 .468 .003153 .006952 .001226 .000152 .001446 -.000733 |
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O12 .089 .731 .435 .002698 .010090 .005439 .000381 .000407 .000064 |
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Legrandite |
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Hawthorne F C, Abdu Y A, Tait K T |
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The Canadian Mineralogist 51 (2013) 233-241 |
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Hydrogen bonding in the crystal structure of legrandite: Zn2(AsO4)(OH)(H2O) |
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Locality: Tsumeb mine, Namibia |
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_database_code_amcsd 0020158 |
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12.8052 7.9249 10.2173 90 104.4329 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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Zn(1) .40327 .04976 .38962 .01127 .01089 .01209 .01040 .00177 .00185 .00014 |
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Zn(2) .25255 .33083 .46242 .01033 .01025 .00927 .01152 .00041 .00282 -.00071 |
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Zn(3) .36202 .80578 .12765 .01284 .01449 .01042 .01209 -.00093 .00046 .00182 |
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Zn(4) .01007 .24192 .44038 .01313 .01113 .01557 .01250 -.00091 .00259 -.00073 |
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As(1) .14963 .05491 .21980 .00768 .00802 .00822 .00689 -.00007 .00203 -.00034 |
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As(2) .38529 .42165 .21410 .00770 .00833 .00779 .00740 .00002 .00278 .00019 |
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O(1) .26801 .9532 .26147 .0127 .0100 .0124 .0145 .0030 .0005 -.0022 |
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O(2) .13880 .1602 .07322 .0121 .0108 .0165 .0094 .0021 .0035 .0049 |
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O(3) .13303 .1895 .34154 .0128 .0114 .0152 .0127 -.0019 .0047 -.0065 |
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O(4) .04897 .9126 .20262 .0132 .0133 .0137 .0127 -.0049 .0036 -.0023 |
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O(5) .47910 .9513 .24071 .0131 .0090 .0164 .0129 .0020 .0012 -.0043 |
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O(6) .35330 .3422 .05675 .0141 .0178 .0168 .0085 -.0080 .0047 -.0037 |
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O(7) .34595 .2901 .31982 .0120 .0151 .0102 .0131 .0009 .0078 .0034 |
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O(8) .32021 .6062 .21800 .0157 .0220 .0096 .0193 .0051 .0124 .0037 |
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O(9) .07895 .5313 .1396 .0238 .0233 .0217 .0290 .0059 .0117 .0092 |
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O(10) .44584 .6626 .01455 .0118 .0128 .0112 .0116 .0003 .0037 .0002 |
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O(11) .27353 .5767 .46950 .0119 .0141 .0111 .0108 -.0024 .0040 -.0009 |
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O(12) .08807 .7338 .4346 .0219 .0199 .0294 .0193 .0090 .0101 .0088 |
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H(1) .461 .748 -.047 .05 |
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H(2) .267 .622 .379 .05 |
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H(3) .1576 .543 .163 .05 |
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H(4) .054 .468 .208 .05 |
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H(5) .060 .774 .3417 .05 |
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H(6) .150 .659 .444 .05 |
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View JMOL 3-D Structure (permalink)
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Legrandite |
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Jinnouchi S, Yoshiasa A, Sugiyama K, Shimura R, Arima H, Momma H, Miyawaki R |
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Journal of Mineralogical and Petrological Sciences 111 (2016) 35-43 |
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Crystal structure refinements of legrandite, adamite, and paradamite: |
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The complex structure and characteristic hydrogen bonding network of legrandite |
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Locality: Ojuela Mine, Mapimi, Durango, Mexico |
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_database_code_amcsd 0020671 |
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12.8014 7.9390 10.2262 90 104.490 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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Zn1 .40317 .04960 .38958 .01108 .01041 .01144 .01085 .00154 .00168 .00018 |
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Zn2 .25262 .33093 .46221 .01031 .00980 .00910 .01202 .00048 .00273 -.00051 |
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Zn3 .36183 .80584 .12768 .01254 .01353 .00998 .01260 -.00080 .00042 .00162 |
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Zn4 .01007 .24144 .44052 .01292 .01046 .01517 .01273 -.00072 .00218 -.00056 |
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As1 .14944 .05500 .21963 .00783 .00759 .00813 .00769 -.00022 .00175 -.00020 |
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As2 .38527 .42177 .21403 .00762 .00778 .00753 .00783 .00000 .00251 .00033 |
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O1 .26823 .9528 .2613 .0121 .0088 .0122 .0137 .0030 .0000 .0000 |
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O2 .13880 .1603 .0732 .0116 .0132 .0134 .0091 .0033 .0046 .0051 |
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O3 .13297 .1896 .3416 .0125 .0111 .0136 .0135 -.0017 .0040 -.0055 |
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O4 .04883 .9129 .2019 .0136 .0139 .0138 .0138 -.0055 .0046 -.0015 |
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O5 .47905 .9522 .2404 .0128 .0080 .0156 .0139 .0023 .0009 -.0036 |
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O6 .35349 .3421 .0568 .0142 .0172 .0167 .0090 -.0088 .0038 -.0041 |
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O7 .34567 .2897 .3198 .0121 .0134 .0105 .0143 .0005 .0073 .0017 |
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O8 .32000 .6056 .2179 .0153 .0210 .0090 .0196 .0054 .0119 00042 |
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O9 .0881 .7337 .4346 .0221 .0189 .0297 .0204 .0109 .0101 .0096 |
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O10 .55428 .1626 .4850 .0121 .0110 .0108 .0150 .0003 .0043 -.0003 |
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O11 .27318 .5763 .4694 .0122 .0154 .0118 .0099 -.0031 .0042 .0011 |
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O12 .0793 .5315 .1403 .0236 .0197 .0234 .0306 00072 .0117 .0092 |
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H91 .144 .68 .446 .033 |
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H92 .070 .783 .365 .033 |
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H101 .531 .231 .527 .018 |
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H111 .287 .612 .403 .018 |
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H121 .1432 .545 .158 .035 |
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H122 .059 .481 .208 .035 |
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
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Legrandite |
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Pushcharovskii D Y, Pobedimskaya E A, Belov N V |
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Soviet Physics Doklady 16 (1971) 419-421 |
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The crystal structure of legrandite Zn2[AsO4]OH*H2O |
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Locality: Ojuela mine, Mexico |
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_database_code_amcsd 0015593 |
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12.76 7.93 10.21 90 104.4 90 P2_1/c |
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atom x y z |
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Zn1 .362 .305 .128 |
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Zn2 .747 .331 .038 |
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Zn3 .990 .242 .059 |
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Zn4 .596 .049 .111 |
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As1 .850 .055 .281 |
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As2 .615 .422 .285 |
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O1 .642 .337 .448 |
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O2 .268 .454 .256 |
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O3 .866 .181 .156 |
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O4 .659 .285 .186 |
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O5 .050 .406 .206 |
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O6 .860 .158 .419 |
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O7 .318 .100 .210 |
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O8 .475 .446 .241 |
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OH1 .272 .080 .467 |
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OH2 .442 .343 .514 |
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Wat1 .088 .234 .435 |
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Wat2 .077 .030 .142 |
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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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