American Mineralogist Crystal Structure Database

3 matching records for this search.

Afwillite
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Megaw H D
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0365-110X&volume=5&spage=477
Acta Crystallographica 5 (1952) 477-491
The structure of afwillite, Ca3(SiO3OH)2*2H2O
Locality: Scawt Hill, Northern Ireland
_database_code_amcsd 0009147
16.27 5.632 13.23 90 134.80 90 Cc
atom      x     y     z Biso
Ca1   .1968 .0348 .2920  1.4
Ca2   .8012 .0485 .2093  1.4
Ca3   .5037 .0362 .0288  1.4
Si1   .1175 .0442 .0007  1.4
Si2   .8692 .9753 .9982  1.4
O1    .9918 .9152 .3410  1.4
OH2   .9992 .9045 .1538  1.4
O3    .7837 .9695 .0207  1.4
OH4   .2158 .0545 .9888  1.4
O5    .3312 .7352 .3905  1.4
O6    .3630 .2820 .4333  1.4
O7    .1473 .2667 .0983  1.4
O8    .1318 .8125 .0778  1.4
Wat9  .5630 .9795 .2583  1.4
Wat10 .4120 .9693 .2647  1.4
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Afwillite
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Malik K M A, Jeffery J W
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=32&spage=475
Acta Crystallographica B32 (1976) 475-480
A re-investigation of the structure of afwillite
_database_code_amcsd 0009551
16.278 5.6321 13.236 90 134.898 90 Cc
atom      x      y      z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cal  .19680 .03703 .29200       .0061  .0066  .0063  .0004  .0042  .0006
Ca2  .80171 .04990 .21213       .0067  .0110  .0078 -.0001  .0051 -.0025
Ca3  .50392 .02829 .03131       .0060  .0071  .0128  .0006  .0057  .0017
Si1  .11768 .05129 .00184       .0063  .0063  .0057 -.0006  .0042 -.0001
Si2  .86923 .98073 .00188       .0060  .0054  .0060 -.0001  .0043  .0001
O1   .99020 .90943 .34297       .0072  .0180  .0073  .0010  .0039 -.0008
O2   .00197 .90887 .15827       .0067  .0171  .0069  .0014  .0041  .0019
O3   .78272 .97821 .02343       .0089  .0123  .0100 -.0006  .0077 -.0002
O4   .21228 .05467 .98665       .0113  .0095  .0135 -.0021  .0103 -.0017
O5   .33680 .73414 .39691       .0093  .0072  .0075  .0010  .0108  .0036
O6   .36651 .26997 .44054       .0100  .0091  .0139 -.0009  .0080 -.0030
O7   .15230 .27093 .10640       .0102  .0073  .0099 -.0001  .0077 -.0016
O8   .13667 .80824 .08125       .0108  .0076  .0110 -.0002  .0084  .0017
O9   .59284 .89321 .26963       .0124  .0159  .0128  .0006  .0084 -.0022
O10  .41837 .96957 .26654       .0194  .0186  .0226  .0032  .0139  .0073
H21    .496   .415   .243  .102
H43    .228   .240   .000  .101
H93    .150   .450   .375  .140
H910   .030   .360   .270  .140
H101   .430   .105   .312  .197
H104   .346   .975   .164  .197
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Afwillite
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Rastsvetaeva R K, Chukanov N V, Zadov A E
 
Crystallography Reports 54 (2009) 418-422
Refined structure of afwillite from the northern Baikal region
Locality: Yoko Dovyrensky massif, northern Baikal region, Russia
_database_code_amcsd 0012415
16.330 5.6389 11.685 90.08 126.446 89.95 P1
atom     x     y     z Biso
Ca1  .1107 .4885 .6475 1.27
Ca2  .6079 .9944 .6464 1.08
Ca3  .1105 .0901 .1474 1.22
Ca4  .6081 .5930 .1463 1.13
Ca5  .9249 .0045 .5663 1.02
Ca6  .4241 .5046 .5676 1.08
Ca7  .9932 .5143 .8307 1.40
Ca8  .4917 .0125 .8255 1.16
Ca9  .4242 .0779 .0653  .99
Ca10 .9250 .5798 .0689 1.06
Ca11 .9925 .0706 .3303 1.41
Ca12 .4924 .5693 .3257 1.15
OW1  .8423 .9316 .0882  1.2
OW2  .3429 .4428 .0933  2.2
OW3  .8424 .6506 .5878  1.4
OW4  .3423 .1446 .5919  1.9
OW5  .6705 .0148 .0895  2.8
OW6  .6746 .5753 .5957 2.61
OW7  .1719 .5095 .0949 1.74
OW8  .1680 .0704 .5910 1.86
Si1  .8848 .5087 .3508 1.29
Si2  .3881 .0327 .3612  .32
Si3  .1369 .9873 .8602  .80
Si4  .6335 .4947 .8543 1.14
Si5  .8880 .0634 .8583  .84
Si6  .3854 .5592 .8557 1.01
Si7  .1348 .5929 .3578  .82
Si8  .6356 .0933 .3566 1.09
O1   .0654 .7773 .7531  1.3
O2   .5656 .2668 .7526  1.1
O3   .3628 .9518 .2011  1.4
O4   .8630 .4491 .2004  1.4
O5   .0753 .2305 .7809  1.3
O6   .5738 .7358 .7751  1.3
O7   .2793 .0197 .3349  1.0
O8   .7773 .5213 .3354  1.6
O9   .0655 .8133 .2518  1.3
O10  .5655 .3123 .2537  1.1
O11  .8632 .1346 .7006  1.4
O12  .3624 .6325 .7012  1.4
O13  .4441 .2750 .4161  1.8
O14  .9462 .7693 .4207  1.1
O15  .0767 .3514 .2786   .9
O16  .5728 .8498 .2783  1.5
O17  .4454 .3071 .9192  1.7
O18  .9453 .8172 .9180  1.1
O19  .9601 .3099 .4643  1.3
O20  .4593 .8049 .4617  1.1
O21  .4589 .7789 .9596  1.3
O22  .9599 .2746 .9651  1.1
O23  .7784 .0665 .8351  1.1
O24  .2791 .5622 .8373  1.4
Oh1  .7453 .4838 .8708  1.2
Oh2  .2439 .9904 .8744  1.5
Oh3  .6655 .4492 .0149  1.7
Oh4  .1641 .6303 .5137  1.6
Oh5  .1671 .9552 .0167  1.2
Oh6  .6688 .1328 .5179  1.3
Oh7  .7462 .0967 .3753  1.3
Oh8  .2434 .5975 .3685  1.4
H1     .75   .04   .31
H2     .76   .55   .81
H3     .24   .56   .31
H4     .24   .05   .81
H5     .21   .01   .10
H6     .32   .56   .06
H7     .82   .07   .06
H8     .70   .54   .08
H9     .81   .54   .56
H10    .34  -.01   .61
H11    .21   .56   .60
H12    .71   .05   .59
H13    .69   .43   .59
H14    .30   .20   .58
H15    .79   .70   .59
H16    .18   .66   .06
H17    .20   .09   .68
H18    .87   .76   .18
H19    .67   .25   .06
H20    .70   .49   .69
H21    .35   .36   .07
H22    .16   .44   .03
H23    .17  -.09   .57
H24    .65  -.05   .03
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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