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Afwillite |
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Megaw H D |
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Acta Crystallographica 5 (1952) 477-491 |
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The structure of afwillite, Ca3(SiO3OH)2*2H2O |
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Locality: Scawt Hill, Northern Ireland |
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_database_code_amcsd 0009147 |
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16.27 5.632 13.23 90 134.80 90 Cc |
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atom x y z Biso |
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Ca1 .1968 .0348 .2920 1.4 |
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Ca2 .8012 .0485 .2093 1.4 |
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Ca3 .5037 .0362 .0288 1.4 |
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Si1 .1175 .0442 .0007 1.4 |
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Si2 .8692 .9753 .9982 1.4 |
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O1 .9918 .9152 .3410 1.4 |
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OH2 .9992 .9045 .1538 1.4 |
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O3 .7837 .9695 .0207 1.4 |
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OH4 .2158 .0545 .9888 1.4 |
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O5 .3312 .7352 .3905 1.4 |
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O6 .3630 .2820 .4333 1.4 |
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O7 .1473 .2667 .0983 1.4 |
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O8 .1318 .8125 .0778 1.4 |
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Wat9 .5630 .9795 .2583 1.4 |
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Wat10 .4120 .9693 .2647 1.4 |
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| Download AMC data (View Text File)
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Afwillite |
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Malik K M A, Jeffery J W |
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Acta Crystallographica B32 (1976) 475-480 |
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A re-investigation of the structure of afwillite |
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_database_code_amcsd 0009551 |
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16.278 5.6321 13.236 90 134.898 90 Cc |
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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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Cal .19680 .03703 .29200 .0061 .0066 .0063 .0004 .0042 .0006 |
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Ca2 .80171 .04990 .21213 .0067 .0110 .0078 -.0001 .0051 -.0025 |
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Ca3 .50392 .02829 .03131 .0060 .0071 .0128 .0006 .0057 .0017 |
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Si1 .11768 .05129 .00184 .0063 .0063 .0057 -.0006 .0042 -.0001 |
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Si2 .86923 .98073 .00188 .0060 .0054 .0060 -.0001 .0043 .0001 |
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O1 .99020 .90943 .34297 .0072 .0180 .0073 .0010 .0039 -.0008 |
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O2 .00197 .90887 .15827 .0067 .0171 .0069 .0014 .0041 .0019 |
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O3 .78272 .97821 .02343 .0089 .0123 .0100 -.0006 .0077 -.0002 |
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O4 .21228 .05467 .98665 .0113 .0095 .0135 -.0021 .0103 -.0017 |
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O5 .33680 .73414 .39691 .0093 .0072 .0075 .0010 .0108 .0036 |
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O6 .36651 .26997 .44054 .0100 .0091 .0139 -.0009 .0080 -.0030 |
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O7 .15230 .27093 .10640 .0102 .0073 .0099 -.0001 .0077 -.0016 |
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O8 .13667 .80824 .08125 .0108 .0076 .0110 -.0002 .0084 .0017 |
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O9 .59284 .89321 .26963 .0124 .0159 .0128 .0006 .0084 -.0022 |
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O10 .41837 .96957 .26654 .0194 .0186 .0226 .0032 .0139 .0073 |
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H21 .496 .415 .243 .102 |
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H43 .228 .240 .000 .101 |
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H93 .150 .450 .375 .140 |
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H910 .030 .360 .270 .140 |
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H101 .430 .105 .312 .197 |
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H104 .346 .975 .164 .197 |
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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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Afwillite |
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Rastsvetaeva R K, Chukanov N V, Zadov A E |
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Crystallography Reports 54 (2009) 418-422 |
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Refined structure of afwillite from the northern Baikal region |
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Locality: Yoko Dovyrensky massif, northern Baikal region, Russia |
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_database_code_amcsd 0012415 |
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16.330 5.6389 11.685 90.08 126.446 89.95 P1 |
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atom x y z Biso |
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Ca1 .1107 .4885 .6475 1.27 |
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Ca2 .6079 .9944 .6464 1.08 |
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Ca3 .1105 .0901 .1474 1.22 |
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Ca4 .6081 .5930 .1463 1.13 |
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Ca5 .9249 .0045 .5663 1.02 |
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Ca6 .4241 .5046 .5676 1.08 |
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Ca7 .9932 .5143 .8307 1.40 |
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Ca8 .4917 .0125 .8255 1.16 |
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Ca9 .4242 .0779 .0653 .99 |
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Ca10 .9250 .5798 .0689 1.06 |
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Ca11 .9925 .0706 .3303 1.41 |
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Ca12 .4924 .5693 .3257 1.15 |
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OW1 .8423 .9316 .0882 1.2 |
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OW2 .3429 .4428 .0933 2.2 |
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OW3 .8424 .6506 .5878 1.4 |
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OW4 .3423 .1446 .5919 1.9 |
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OW5 .6705 .0148 .0895 2.8 |
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OW6 .6746 .5753 .5957 2.61 |
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OW7 .1719 .5095 .0949 1.74 |
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OW8 .1680 .0704 .5910 1.86 |
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Si1 .8848 .5087 .3508 1.29 |
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Si2 .3881 .0327 .3612 .32 |
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Si3 .1369 .9873 .8602 .80 |
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Si4 .6335 .4947 .8543 1.14 |
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Si5 .8880 .0634 .8583 .84 |
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Si6 .3854 .5592 .8557 1.01 |
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Si7 .1348 .5929 .3578 .82 |
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Si8 .6356 .0933 .3566 1.09 |
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O1 .0654 .7773 .7531 1.3 |
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O2 .5656 .2668 .7526 1.1 |
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O3 .3628 .9518 .2011 1.4 |
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O4 .8630 .4491 .2004 1.4 |
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O5 .0753 .2305 .7809 1.3 |
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O6 .5738 .7358 .7751 1.3 |
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O7 .2793 .0197 .3349 1.0 |
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O8 .7773 .5213 .3354 1.6 |
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O9 .0655 .8133 .2518 1.3 |
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O10 .5655 .3123 .2537 1.1 |
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O11 .8632 .1346 .7006 1.4 |
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O12 .3624 .6325 .7012 1.4 |
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O13 .4441 .2750 .4161 1.8 |
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O14 .9462 .7693 .4207 1.1 |
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O15 .0767 .3514 .2786 .9 |
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O16 .5728 .8498 .2783 1.5 |
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O17 .4454 .3071 .9192 1.7 |
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O18 .9453 .8172 .9180 1.1 |
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O19 .9601 .3099 .4643 1.3 |
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O20 .4593 .8049 .4617 1.1 |
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O21 .4589 .7789 .9596 1.3 |
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O22 .9599 .2746 .9651 1.1 |
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O23 .7784 .0665 .8351 1.1 |
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O24 .2791 .5622 .8373 1.4 |
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Oh1 .7453 .4838 .8708 1.2 |
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Oh2 .2439 .9904 .8744 1.5 |
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Oh3 .6655 .4492 .0149 1.7 |
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Oh4 .1641 .6303 .5137 1.6 |
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Oh5 .1671 .9552 .0167 1.2 |
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Oh6 .6688 .1328 .5179 1.3 |
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Oh7 .7462 .0967 .3753 1.3 |
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Oh8 .2434 .5975 .3685 1.4 |
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H1 .75 .04 .31 |
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H2 .76 .55 .81 |
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H3 .24 .56 .31 |
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H4 .24 .05 .81 |
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H5 .21 .01 .10 |
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H6 .32 .56 .06 |
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H7 .82 .07 .06 |
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H8 .70 .54 .08 |
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H9 .81 .54 .56 |
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H10 .34 -.01 .61 |
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H11 .21 .56 .60 |
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H12 .71 .05 .59 |
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H13 .69 .43 .59 |
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H14 .30 .20 .58 |
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H15 .79 .70 .59 |
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H16 .18 .66 .06 |
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H17 .20 .09 .68 |
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H18 .87 .76 .18 |
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H19 .67 .25 .06 |
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H20 .70 .49 .69 |
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H21 .35 .36 .07 |
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H22 .16 .44 .03 |
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H23 .17 -.09 .57 |
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H24 .65 -.05 .03 |
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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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