American Mineralogist Crystal Structure Database

4 matching records for this search.

Pseudowollastonite
 
Yang H, Prewitt C T
Download am/vol84/AM84_929.pdf
American Mineralogist 84 (1999) 929-932
On the crystal structure of pseudowollastonite (CaSiO3)
_database_code_amcsd 0002247
6.8394 11.8704 19.6313 90 90.667 90 C2/c
atom      x      y      z B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Ca1       0      0      0 .00491 .00123 .00032  .00100  .00020  .00010
Ca2       0 .34259    .25 .00437 .00093 .00030       0  .00025       0
Ca3       0 .32910    .75 .00253 .00202 .00030       0 -.00001       0
Ca4       0 .00462    .75 .00378 .00095 .00027       0  .00008       0
Ca5  .01127 .33571 .00047 .00310 .00123 .00028 -.00033  .00011 -.00005
Si1  .29298 .03898 .37507 .00260 .00076 .00018  .00019  .00007 -.00001
Si2  .09283 .17035 .12790 .00195 .00098 .00019 -.00001  .00007  .00001
Si3  .29798 .29716 .37784 .00260 .00077 .00019 -.00021  .00006 -.00001
O1   .34734 .34508 .45190 .00547 .00152 .00030 -.00061 -.00010 -.00015
O2   .15484 .48810 .19713 .00613 .00161 .00031 -.00066  .00022  .00020
O3   .19052 .17222 .20205 .00397 .00206 .00030  .00021 -.00026 -.00004
O4   .05651 .28096 .37492 .00277 .00100 .00063  .00004 -.00004 -.00005
O5   .20071 .17028 .05692 .00430 .00254 .00037  .00016  .00053  .00008
O6   .05217 .05793 .37380 .00285 .00098 .00066  .00002  .00000  .00002
O7   .35429 .35084 .30682 .00697 .00159 .00037 -.00083  .00036  .00021
O8   .15804 .48546 .05278 .00593 .00164 .00032 -.00067 -.00004 -.00023
O9   .38933 .16744 .37627 .00291 .00099 .00066 -.00002  .00007 -.00003
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Pseudowollastonite
 
Yang H, Prewitt C T
Download am/vol84/AM84_1902.pdf
American Mineralogist 84 (1999) 1902-1905
Crystal structure and compressibility of a two-layer polytype
of pseudowollastonite (CaSiO3)
_database_code_amcsd 0002334
11.8322 6.8624 10.5297 90 111.245 90 C2/c
atom     x     y     z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca1  .0870 .2403 .4989  .0011  .0035  .0007  .0003  .0001  .0001
Ca2    .25   .25     0  .0010  .0058  .0009  .0008  .0003 -.0004
Si1  .1278 .4530 .2445  .0007  .0032  .0005  .0002  .0002  .0001
Si2      0 .8400   .25  .0010  .0023  .0006      0  .0001      0
O1   .1275 .4045 .0965  .0018  .0063  .0009  .0006  .0006 -.0001
O2   .2290 .3991 .3863  .0014  .0080  .0014  .0013  .0001  .0003
O3   .1109 .6929 .2478  .0014  .0033  .0021  .0001  .0011 -.0001
O4   .0497 .9436 .3939  .0023  .0050  .0010 -.0002  .0004 -.0010
O5       0 .3592   .25  .0013  .0041  .0020      0  .0009      0
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Pseudowollastonite-4A
 
Yamanaka T, Mori H
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=37&spage=1010
Acta Crystallographica B37 (1981) 1010-1017
The structure and polytypes of alpha-W CaSiO3 (pseudowollastonite)
_database_code_amcsd 0009742
6.853 11.895 19.674 90.12 90.55 90.00 C-1
atom     x     y     z B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Ca1     .5    .5     0  .0068 .00142 .00046  .00048  .00012  .00016
Ca2  .5115 .8357 .0004 .00479 .00133 .00035  -.0005 -.00013 -.00006
Ca3  .5002 .4964 .2501 .00446 .00145 .00036 -.00021  .00001  .00000
Ca4  .5004 .8436 .2500 .00548 .00071 .00037  .00009  .00023 -.00007
Ca5  .0006 .6722 .2500 .00344 .00187 .00037  .00012  -.0001  .00002
Ca6     .5    .5    .5 .00509 .00161 .00035 -.00097  .00015 -.00011
Ca7  .4886 .8357 .4995 .00359 .00139 .00026  .00074   .0001 -.00002
Si1  .2066 .5387 .1249 .00279   .001 .00022 -.00027 -.00015  .00002
Si2  .2021 .7975 .1222 .00356 .00106 .00032  .00017 -.00002 -.00007
Si3  .5926 .6702 .1278 .00282 .00118 .00017  -.0001  .00008 -.00003
Si4  .4068 .6701 .3720 .00375 .00071 .00023  .00047 -.00011  .00012
Si5  .7933 .5387 .3749 .00357 .00081 .00036 -.00042 -.00002 -.00015
Si6  .7983 .7972 .3778 .00295 .00104 .00033  .00025 -.00002 -.00003
O1   .1584 .4853 .0523 .00512 .00218 .00047 -.00069  .00026  .00045
O2   .1533 .8448 .0479 .00541 .00191 .00033 -.00031 -.00057  .00002
O3   .7001 .6704 .0562 .00495 .00115 .00008  .00033 -.00008  .00002
O4   .1554 .4869 .1968 .00635 .00211 .00046  .00121 -.00004  .00016
O5   .1451 .8505 .1927 .00704 .00091 .00034 -.00056  .00038 -.00001
O6   .6907 .6712 .2016 .01165 .00207 .00021  .00096  .00072  -.0005
O7   .3094 .6712 .2981  .0066 .00258 .00022    .001   .0005 -.00052
O8   .8435 .4873 .3030 .00839 .00182 .00049  .00068  .00023  .00007
O9   .8544 .8494 .3067 .00697 .00161 .00056 -.00078  .00011 -.00014
O10  .3002 .6708 .4420 .00449 .00262 .00011 -.00151 -.00028 -.00007
O11  .8426 .4855 .4460  .0047 .00098 .00037  .00063 -.00021 -.00025
O12  .8478 .8458 .4512 .00533 .00236 .00046 -.00012 -.00034  .00051
O13  .1117 .6669 .1235 .00391 .00046 .00064 -.00031  .00026 -.00011
O14  .4480 .5584 .1261 .00306 .00116 .00067 -.00041 -.00004  .00002
O15  .4428 .7797 .1254 .00501 .00091 .00052 -.00003 -.00064 -.00025
O16  .5538 .5580 .3741 .00269 .00094 .00086   .0001 -.00011 -.00001
O17  .5566 .7804 .3748 .00225 .00099 .00068  .00035  .00002 -.00006
O18  .8898 .6676 .3757  .0039  .0015 .00064  .00008  .00007 -.00018
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Pseudowollastonite
 
Seryotkin Y V, Sokol E V, Kokh S N
 
Lithos 134-135 (2012) 75-90
Natural pseudowollastonite: Crystal structure, associated minerals, and
geological context
Locality: Nabi Musa dome, Israel
_database_code_amcsd 0020448
6.83556 11.86962 19.6255 90 90.6805 90 C2/c
atom      x      y       z U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Ca1       0      0       0 .01309 .01008 .00812  .00418  .00093  .00120
Ca2       0 .34269     .25 .01180 .00765 .00786       0  .00140       0
Ca3       0 .32896     .75 .00714 .01540 .00802       0 -.00032       0
Ca4       0 .00448     .75 .01026 .00850 .00740       0  .00032       0
Ca5  .01122 .33571 .000464 .00892 .00997 .00752 -.00142  .00043 -.00043
Si1  .29303 .03890 .375037 .00749 .00693 .00579  .00082 -.00009 -.00023
Si2  .09278 .17031 .127899 .00611 .00820 .00587 -.00012  .00017  .00013
Si3  .29810 .29718 .377897 .00794 .00666 .00588 -.00066  .00019 -.00006
O1   .34745 .34490  .45191  .0146  .0120  .0078  -.0023  -.0011  -.0017
O2   .15487 .48795  .19702  .0158  .0123  .0077  -.0026   .0014   .0023
O3   .19045 .17213  .20202  .0113  .0159  .0078   .0008  -.0022   .0001
O4   .05634 .28089  .37485  .0075  .0079  .0148  -.0002  -.0004  -.0005
O5   .20079 .17030  .05692  .0117  .0192  .0084   .0006   .0034   .0013
O6   .05207 .05802  .37383  .0071  .0081  .0149   .0002  -.0001  -.0002
O7   .35422 .35114  .30691  .0168  .0126  .0088  -.0036   .0018   .0020
O8   .15807 .48531  .05277  .0158  .0134  .0078  -.0029  -.0008  -.0023
O9   .38925 .16732  .37621  .0084  .0075  .0145  -.0004  -.0003   .0000
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Total number of retrieved datasets: 4
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