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Palladinite |
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Waser J, Levy H A, Peterson S W |
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Acta Crystallographica 6 (1953) 661-663 |
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The structure of PdO |
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Locality: synthetic |
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_database_code_amcsd 0009157 |
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3.03 3.03 5.33 90 90 90 *P4_2/mmc |
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0 .5 .5 |
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atom x y z |
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Pd 0 0 0 |
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O .5 0 .25 |
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Borax |
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Levy H A, Lisensky G C |
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Acta Crystallographica B34 (1978) 3502-3510 |
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Crystal structures of sodium sulfate decahydrate (Glauber's salt) and sodium |
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tetraborate decahydrate (borax). Redetermination by neutron diffraction |
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Locality: Synthetic |
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Note: anisoU's from ICSD |
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_database_code_amcsd 0009647 |
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11.885 10.654 12.206 90 106.623 90 C2/c |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Na1 0 0 0 .0251 .0298 .0254 .0001 .0053 .0020 |
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Na2 0 .8469 .25 .0288 .0316 .0289 0 .0132 0 |
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B1 .0853 .3452 .2151 .0141 .0165 .0142 .0021 .0047 -.0006 |
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B2 .0978 .4566 .3918 .0135 .0193 .0145 -.0026 .0044 -.0038 |
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O1 0 .2672 .25 .0189 .0146 .0152 0 .0037 0 |
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O2 .1544 .4194 .3146 .0157 .0251 .0184 -.0036 .0067 -.0055 |
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O3 .0194 .4346 .1243 .0159 .0256 .0200 .0040 .0075 .0083 |
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O4 .1614 .2712 .1679 .0206 .0328 .0227 .0082 .0060 -.0078 |
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O5 .1622 .5163 .4895 .0202 .0421 .0227 -.0104 .0078 -.0159 |
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O6 .1240 .8463 .4493 .0223 .0339 .0291 -.0009 .0048 .0028 |
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O7 .1233 .0009 .1956 .0243 .0263 .0332 -.0018 .0073 -.0008 |
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O8 .1197 .1647 .4615 .0293 .0360 .0291 .0005 .0055 .0096 |
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O9 .1171 .7049 .1718 .0324 .0321 .0354 .0001 .0050 -.0068 |
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H4 .7616 .2597 .2807 .0219 .0451 .0416 -.0058 .0047 .0060 |
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H5 .1127 .4589 .0379 .0354 .0468 .0291 .0057 .0127 .0128 |
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H6A .3003 .3857 .0367 .0332 .0497 .0511 .0050 .0106 -.0044 |
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H6B .8662 .2109 .4875 .0426 .0419 .0522 .0016 .0144 .0117 |
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H7A .2984 .4755 .3064 .0322 .0427 .0445 -.0018 .0093 -.0022 |
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H7B .1276 .0909 .2021 .0494 .0338 .0515 .0009 .0060 -.0066 |
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H8A .9160 .1958 .1158 .0488 .0436 .0332 -.0002 .0109 -.0061 |
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H8B .8064 .1290 .0364 .0335 .0829 .0072 -.0101 .0121 -.0210 |
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H9A .4004 .1177 .3362 .0611 .0370 .0760 .0035 .0185 .0143 |
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H9B .6152 .2359 .0967 .0587 .0603 .0389 .0065 .0122 -.0049 |
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Mirabilite |
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Levy H A, Lisensky G C |
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Acta Crystallographica B34 (1978) 3502-3510 |
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Crystal structures of sodium sulfate decahydrate (Glauber's salt) and |
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sodium tetraborate decahydrate (borax). Redetermination by neutron diffraction |
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Locality: Synthetic |
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Note: anisoU's from ICSD |
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_database_code_amcsd 0009648 |
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11.512 10.370 12.847 90 107.789 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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Na2 .2547 .7472 .0145 .036 .037 .027 -.006 .014 -.003 |
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Na3 .2457 .6126 .7604 .037 .035 .028 .006 .009 .000 |
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S .2495 .3601 .2578 .025 .022 .018 .000 .007 .004 |
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O4' .2346 .3368 .3668 .247 .036 |
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O4" .2636 .2887 .3603 .753 .046 .033 .030 .005 .012 .008 |
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O5 .1438 .3106 .1718 .035 .043 .037 -.003 .002 -.004 |
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O6' .3598 .2813 .2546 .247 .044 |
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O6" .3576 .3443 .2238 .753 .032 .058 .040 -.003 .017 -.004 |
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O7' .2782 .4955 .2442 .247 .035 |
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O7" .2298 .4969 .2748 .753 .062 .024 .048 .003 .016 -.003 |
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O8 .1233 .4553 .6403 .039 .034 .039 .001 .004 .001 |
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O9 .3672 .4524 .8784 .035 .032 .045 -.003 .009 .003 |
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O10 .1018 .3467 .9456 .036 .052 .038 .002 .010 .000 |
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O11 .3967 .3471 .5799 .035 .043 .039 -.004 .009 -.001 |
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O12 .1131 .6102 .8778 .028 .038 .042 -.002 .012 -.003 |
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O13 .3880 .6092 .6498 .027 .043 .036 .001 .005 -.001 |
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O14 .1459 .7111 .1435 .029 .034 .035 -.003 .009 -.001 |
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O15 .3547 .7143 .3782 .028 .037 .033 .005 .009 .000 |
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O16 .1310 .5611 .4423 .037 .045 .042 -.005 .017 -.009 |
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O17 .3798 .5583 .0812 .035 .049 .048 .004 .017 .013 |
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H8A .1412 .3645 .6540 .058 .040 .058 .004 .006 .002 |
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H8B .1376 .4786 .5698 .5 .053 .059 .033 -.007 .020 -.003 |
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H8C .0323 .4529 .6187 .5 .042 .054 .055 .000 .007 .001 |
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H9A' .3588 .1238 .3515 .247 .079 |
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H9A" .3335 .1321 .3687 .753 .044 .028 .061 .008 .008 .004 |
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H9B .4557 .4428 .8835 .5 .046 .051 .071 -.008 .021 .003 |
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H9C .3669 .4784 .9535 .5 .065 .052 .035 .004 .018 .005 |
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H10A .1268 .3348 .0238 .046 .071 .039 .001 .008 .000 |
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H10B .1495 .2920 .9153 .054 .062 .052 .006 .018 -.005 |
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H11A .3485 .3329 .5044 .053 .058 .038 -.005 .002 -.002 |
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H11B .3691 .2868 .6235 .054 .058 .054 -.001 .024 .005 |
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H12A .1079 .5240 .9014 .043 .054 .054 -.004 .016 .005 |
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H12B .0300 .6402 .8509 .034 .071 .063 .008 .008 -.001 |
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H13A .3945 .5238 .6265 .044 .047 .059 .004 .011 -.001 |
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H13B .4725 .6341 .6861 .030 .066 .065 -.003 .004 -.003 |
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H14A .0592 .7017 .1118 .036 .053 .055 .000 .008 -.005 |
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H14B .1707 .6326 .1801 .052 .045 .047 -.001 .013 .000 |
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H15A .3246 .6333 .3450 .045 .044 .059 .001 .011 -.007 |
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H15B .4431 .7058 .3990 .028 .070 .058 .001 .013 .001 |
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H16A' .1749 .4897 .4145 .247 .075 |
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H16A" .1634 .5210 .3896 .753 .054 .057 .058 .004 .032 -.015 |
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H16B .0437 .5587 .4053 .5 .047 .045 .043 .001 .011 .000 |
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H16C .1418 .5091 .5128 .5 .059 .077 .040 -.005 .010 .005 |
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H17A' .3569 .5228 .1587 .247 .066 |
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H17A" .3633 .4972 .1314 .753 .060 .091 .034 -.009 .026 .017 |
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H17B .3648 .5124 .0119 .5 .039 .061 .060 .002 .007 .011 |
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H17C .4713 .5585 .1084 .5 .027 .076 .048 -.005 .010 .007 |
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Archerite |
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Levy H A, Peterson S W, Simonsen S H |
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Physical Review 93 (1954) 1120-1121 |
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Neutron diffraction study of the ferroelectric modification of potassium |
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dihydrogen phosphate |
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Note sample at T = 113 K |
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Note: low temperature polymorph of archerite |
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_database_code_amcsd 0015150 |
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10.53 10.44 6.90 90 90 90 Fdd2 |
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atom x y z Biso |
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K 0 0 .512 .4 |
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P 0 0 0 .6 |
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O1 .1160 .0345 .1310 .6 |
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O2 -.0345 .1160 -.1235 .6 |
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H .1880 -.0375 .1335 2. |
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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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