American Mineralogist Crystal Structure Database

2 matching records for this search.

Axinite-(Fe)
Download hom/axinitefe.pdf
Swinnea J S, Steinfink H, Rendon-DiazMiron L E, Enciso de la Vega S
Download am/vol66/AM66_428.pdf
American Mineralogist 66 (1981) 428-431
The crystal structure of a Mexican axinite
_database_code_amcsd 0000832
7.1437 9.1898 8.9529 91.857 98.188 77.359 P-1
atom      x      y      z  occ Biso B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Ca1  .74651 .34816 .39493           .00234 .00147 .00191 -.00040 -.00030  .00028
Ca2  .18294 .10044 .08371           .00364 .00185 .00182 -.00093 -.00073  .00047
Fe   .76770 .59145 .11264 .550      .00210 .00245 .00196 -.00068  .00007  .00059
Mn   .76770 .59145 .11264 .130      .00210 .00245 .00196 -.00068  .00007  .00059
Mg   .76770 .59145 .11264 .185      .00210 .00245 .00196 -.00068  .00007  .00059
Ti   .76770 .59145 .11264 .005      .00210 .00245 .00196 -.00068  .00007  .00059
K    .76770 .59145 .11264 .022      .00210 .00245 .00196 -.00068  .00007  .00059
Na   .76770 .59145 .11264 .065      .00210 .00245 .00196 -.00068  .00007  .00059
Al1  .05263 .80053 .25405           .00153 .00094 .00092 -.00041  .00001  .00002
Al2  .35181 .93599 .42106 .893      .00135 .00089 .00091 -.00047 -.00011 -.00008
Fe2  .35181 .93599 .42106 .107      .00135 .00089 .00091 -.00047 -.00011 -.00008
B     .4615  .6344  .2870           .00177 .00125 .00138 -.00013 -.00015  .00002
H     .9895  .9604  .6299      2.37
Si1  .21049 .44986 .23373           .00202 .00100 .00110 -.00043 -.00013  .00007
Si2  .21891 .27461 .52317           .00149 .00099 .00107 -.00041 -.00005  .00003
Si3  .69874 .25668 .01148           .00200 .00163 .00100 -.00020  .00005  .00016
Si4  .64154 .01907 .23042           .00163 .00113 .00103 -.00046  .00011  .00000
O1    .0533  .6031  .1900           .00294 .00122 .00206 -.00042 -.00016  .00002
O2    .2317  .3388  .0949           .00446 .00187 .00215 -.00074  .00023 -.00041
O3    .4188  .4869  .3119           .00250 .00145 .00210 -.00082 -.00035  .00030
O4    .1356  .3716  .3692           .00353 .00299 .00194 -.00106 -.00022  .00141
O5    .0213  .2425  .5639           .00255 .00203 .00150 -.00080  .00021  .00029
O6    .3265  .3803  .6448           .00171 .00160 .00202  .00039 -.00043 -.00037
O7    .3810  .1275  .4958           .00205 .00119 .00174 -.00036  .00016 -.00025
O8    .5347  .3437  .8769           .00281 .00199 .00135 -.00018  .00033  .00030
O9    .8762  .1554  .9337           .00255 .00172 .00151 -.00022  .00029  .00005
O10   .7683  .3680  .1386           .00401 .00213 .00182 -.00063  .00016 -.00021
O11   .6038  .1348  .0874           .00380 .00246 .00206 -.00102  .00012  .00093
O12   .4360  .9813  .2442           .00265 .00180 .00151 -.00084  .00020  .00017
O13   .7211  .0995  .3847           .00259 .00167 .00144 -.00086  .00014 -.00010
O14   .7937  .8740  .1775           .00223 .00192 .00178 -.00032  .00004  .00031
O15   .3251  .7461  .3546           .00198 .00134 .00148 -.00049  .00020 -.00033
O16   .0968  .9955  .3223           .00220 .00161 .00174 -.00041  .00053 -.00038
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View JMOL 3-D Structure (permalink)
 
Axinite-(Fe)
Download hom/axinitefe.pdf
Filip J, Kolitsch U, Novak M, Schneeweiss O
Download cm/vol44/CM44_1159.pdf
The Canadian Mineralogist 44 (2006) 1159-1170
The crystal structure of near-end-member ferroaxinite from an iron-contaminated
pegmatite at Malesov, Czech Republic
Locality: Malesov, Czech Republic
_database_code_amcsd 0006112
7.152 9.206 8.962 91.84 98.17 77.33 P-1
atom      x       y       z   occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
CaX1 .74654  .34815  .39531       .00780 .00888 .00599 .00774 -.00090 -.00066  .00133
CaX2 .18294  .10007  .08383       .00845 .00941 .00784 .00767 -.00303 -.00257  .00229
FeY  .76793 .590928 .111915 .9413 .00825 .00543 .01147 .00813 -.00209  .00081  .00305
MgY  .76793 .590928 .111915 .0587 .00825 .00543 .01147 .00813 -.00209  .00081  .00305
AlZ1 .05241  .80071  .25398 .9837 .00379 .00382 .00396 .00362 -.00084  .00061  .00019
FeZ1 .05241  .80071  .25398 .0163 .00379 .00382 .00396 .00362 -.00084  .00061  .00019
AlZ2 .35207  .93593  .42115       .00415 .00418 .00429 .00414 -.00133  .00059 -.00033
BT5  .46146  .63436  .28684       .00474  .0046  .0049  .0047  -.0009   .0008  -.0004
SiT1 .21024  .44997  .23430       .00447 .00501 .00399 .00438 -.00106  .00035  .00039
SiT2 .21917  .27475  .52333       .00379 .00349 .00387 .00406 -.00101  .00036  .00019
SiT3 .69820  .25644  .01151       .00459 .00519 .00459 .00374 -.00041  .00070  .00040
SiT4 .64140  .01946  .23044       .00413 .00392 .00491 .00372 -.00115  .00077  .00019
O1   .05360  .60321  .18957       .00670  .0068  .0049  .0078  -.0006  -.0002   .0002
O2   .23119  .33833  .09578       .00882  .0116  .0072  .0077  -.0019   .0018  -.0021
O3   .41844  .48704  .31215       .00670  .0055  .0053  .0095  -.0023  -.0005   .0013
O4   .13537  .37210  .36980       .00996  .0083  .0132  .0087  -.0032  -.0003   .0062
O5   .02163  .24270  .56436       .00626  .0051  .0087  .0057  -.0026   .0014   .0009
O6   .32702  .38060  .64393       .00649  .0048  .0061  .0081  -.0015  -.0005  -.0019
O7   .38056  .12747  .49578       .00539  .0046  .0045  .0067  -.0006   .0005  -.0014
O8   .53476  .34395  .87689       .00692  .0072  .0080  .0048   .0007   .0014   .0014
O9   .87563  .15555  .93367       .00590  .0057  .0061  .0055  -.0001   .0017  -.0002
O10  .76780  .36672  .13914       .00874  .0113  .0081  .0068  -.0028   .0006  -.0017
O11  .60268  .13512  .08713       .00901  .0100  .0099  .0078  -.0032   .0009   .0044
O12  .43624  .98117  .24413       .00590  .0048  .0086  .0051  -.0027   .0011   .0007
O13  .72081  .10006  .38469       .00604  .0070  .0071  .0045  -.0027   .0008  -.0010
O14  .79432  .87507  .17743       .00700  .0050  .0081  .0067   .0008   .0003  -.0011
O15  .32502  .74622  .35434       .00497  .0046  .0047  .0057  -.0008   .0011  -.0011
Oh16 .09682  .99539  .32260       .00578  .0047  .0062  .0064  -.0007   .0014  -.0009
H      .993    .963    .631         .021
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 2
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