American Mineralogist Crystal Structure Database

15 matching records for this search.

Antigorite
Download hom/antigorite.pdf
Capitani G, Mellini M
Download am/vol89/AM89_147.pdf
American Mineralogist 89 (2004) 147-158
The modulated crystal structure of antigorite: The m = 17 polysome
_database_code_amcsd 0003192
43.505 9.251 7.263 90 91.32 90 Pm
atom       x     y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
SiT1   .0216 .1663  .5046  .009   .007   .004   .017   .000   .005  -.001
SiT2   .0817 .3342  .4677  .009   .005   .004   .018  -.002   .003  -.002
SiT3   .1412 .1654  .4398  .007   .008   .005   .008   .001   .001   .001
SiT4   .2007 .3341  .4294  .006   .007   .006   .006   .002   .003   .001
SiT5   .2610 .1664  .4272  .006   .006   .010   .002   .001   .001  -.001
SiT6   .3214 .3340  .4311  .005   .006   .006   .004  -.001  -.002   .000
SiT7   .3819 .1661  .4446  .005   .008   .002   .006   .001  -.002   .001
SiT8   .4418 .3336  .4691  .008   .009   .007   .008   .001  -.002   .002
SiT9   .5010 .1654  .5050  .005   .003   .005   .007   .001   .000   .001
SiT10  .5575 .1646 -.2312  .007   .002   .008   .010   .003  -.001   .003
SiT11  .6169 .3339 -.1915  .006   .002   .004   .012   .002  -.001  -.001
SiT12  .6764 .1663 -.1725  .005   .002   .007   .008   .002   .003   .002
SiT13  .7367 .3326 -.1613  .006   .003   .003   .011  -.001   .001   .004
SiT14  .7970 .1655 -.1591  .004   .003   .002   .009   .002  -.001   .000
SiT15  .8574 .3332 -.1652  .007   .002   .005   .013  -.004  -.001  -.004
SiT16  .9173 .1656 -.1848  .007   .003   .008   .009  -.001   .004   .000
SiT17  .9766 .3353 -.2226  .012   .010   .008   .018  -.003   .007  -.001
MgM1A  .0301     0  .1254  .015   .010   .009   .026      0   .001      0
MgM1B  .0302 .3336  .1245  .015   .009   .009   .028  -.001  -.001   .002
MgM2A  .0931    .5  .0850  .017   .010   .011   .029      0   .004      0
MgM2B  .0930 .1657  .0829  .015   .011   .008   .025   .000   .005   .002
MgM3A  .1556     0  .0608  .017   .012   .010   .030      0   .004      0
MgM3B  .1554 .3336  .0594  .012   .008   .008   .018   .000   .002  -.001
MgM4A  .2179    .5  .0488  .012   .009   .008   .019      0   .002      0
MgM4B  .2177 .1667  .0494  .016   .010   .008   .030   .000   .005  -.002
MgM5A  .2798     0  .0483  .007   .014   .005   .003      0   .000      0
MgM5B  .2795 .3335  .0482  .013   .014   .014   .012  -.002   .003   .002
MgM6A  .3420    .5  .0554  .011   .018   .009   .007      0   .000      0
MgM6B  .3419 .1667  .0552  .008   .015   .006   .003   .003   .001   .000
MgM7A  .4044     0  .0727  .011   .016   .007   .010      0   .005      0
MgM7B  .4042 .3334  .0716  .011   .014   .008   .011   .000   .004   .003
MgM8A  .4672    .5  .1009  .012   .012   .010   .012      0   .005      0
MgM8B  .4670 .1660  .0998  .012   .017   .006   .013   .002   .007   .001
MgM9A  .5298     0  .1379  .012   .013   .009   .015      0   .002      0
MgM9B  .5299 .3334  .1380  .013   .008   .013   .019   .002   .001   .001
MgM10A .5921    .5  .1756  .013   .005   .007   .026      0  -.004      0
MgM10B .5924 .1661  .1750  .014   .005   .010   .026   .002  -.003  -.001
MgM11A .6542     0  .2035  .011   .000   .012   .021      0   .000      0
MgM11B .6541 .3336  .2046  .012   .003   .013   .020  -.003  -.001  -.001
MgM12A .7165    .5  .2174  .016   .006   .014   .028      0   .000      0
MgM12B .7164 .1661  .2175  .014   .001   .009   .031   .001  -.001  -.004
MgM13A .7787     0  .2254  .016   .008   .012   .027      0  -.002      0
MgM13B .7786 .3332  .2229  .008   .004   .007   .013  -.002  -.003   .001
MgM14A .8414    .5  .2221  .011   .013   .010   .011      0  -.003      0
MgM14B .8414 .1661  .2196  .010   .011   .008   .010   .001  -.003   .002
MgM15A .9040     0  .2100  .008   .008   .005   .010      0  -.006      0
MgM15B .9040 .3338  .2049  .015   .010   .009   .026   .001  -.004  -.001
MgM16A .9669    .5  .1727  .014   .010   .007   .025      0  -.007      0
MgM16B .9671 .1669  .1721  .015   .010   .012   .024   .000  -.005   .002
OA1    .0121 .1677  .2808  .012   .017   .014   .005   .000   .001   .005
OA2    .0757 .3328  .2463  .015   .029   .009   .009  -.003   .009  -.001
OA3    .1376 .1665  .2218  .010   .020   .001   .010   .001   .007  -.001
OA4    .1991 .3344  .2140  .014   .015   .001   .025   .001   .009   .000
OA5    .2606 .1660  .2065  .012   .032   .004   .000   .005   .000   .000
OA6    .3223 .3332  .2175  .012   .025   .008   .003   .003   .005   .007
OA7    .3835 .1664  .2241  .015   .025   .010   .010   .004   .006   .004
OA8    .4452 .3329  .2503  .018   .018   .015   .021  -.006   .005  -.001
OA9    .5078 .1680  .2847  .015   .010   .021   .015   .001   .006   .003
OA10   .5520 .1664 -.0053  .017   .020   .007   .025   .004  -.002   .000
OA11   .6146 .3338  .0285  .011   .008   .012   .011   .000  -.007  -.005
OA12   .6759 .1670  .0546  .014   .001   .013   .029   .004  -.005  -.002
OA13   .7374 .3326  .0696  .015   .000   .020   .027  -.004  -.002   .009
OA14   .7988 .1667  .0677  .017   .000   .023   .028   .000  -.001   .001
OA15   .8602 .3330  .0623  .016   .013   .023   .012   .005  -.007   .000
OA16   .9221 .1652  .0344  .024   .001   .023   .047   .000  -.010  -.003
OA17   .9847 .3322 -.0042  .025   .005   .016   .055  -.004  -.003   .000
OB1A   .0230     0  .5783  .037   .051   .022   .036      0  -.007      0
OB1B   .0569 .2453  .5890  .032   .012   .029   .056  -.011   .025  -.006
OB2A   .0810    .5  .5473  .013   .018   .014   .008      0   .003      0
OB2B   .1138 .2598  .5281  .028   .020   .045   .020  -.003   .002   .010
OB3A   .1393     0  .5201  .006   .002   .004   .011      0  -.003      0
OB3B   .1721 .2409  .5157  .023   .037   .013   .020  -.002   .010   .006
OB4A   .1993    .5  .5093  .012   .014   .008   .012      0  -.010      0
OB4B   .2315 .2624  .5105  .019   .023   .022   .012   .000   .002  -.006
OB5A   .2587     0  .5068  .010   .027   .004   .000      0   .004      0
OB5B   .2922 .2381  .5141  .015   .020   .022   .004  -.006   .004   .004
OB6A   .3197    .5  .5137  .006   .012   .000   .005      0  -.006      0
OB6B   .3527 .2614  .5243  .012   .009   .022   .003  -.003   .001  -.003
OB7A   .3791     0  .5262  .006   .017   .000   .000      0   .001      0
OB7B   .4130 .2330  .5383  .009   .010   .009   .008  -.007   .003  -.002
OB8A   .4369    .5  .5452  .012   .025   .008   .003      0  -.003      0
OB8B   .4721 .2664  .5673  .028   .021   .017   .045  -.001  -.013  -.021
OB9A   .4936     0  .5732  .018   .013   .015   .025      0   .005      0
OB9B   .5290 .2237 -.3540  .023   .018   .015   .036   .004  -.013  -.007
OB10A  .5666     0 -.3060  .021   .060   .000   .000      0  -.021      0
OB10B  .5865 .2647 -.2931  .019   .015   .032   .011   .008  -.001  -.015
OB11A  .6190    .5 -.2700  .154   .020   .220   .220      0  -.005      0
OB11B  .6465 .2470 -.2606  .019   .020   .011   .025  -.011  -.010   .004
OB12A  .6767     0 -.2430  .145   .036   .260   .139      0  -.007      0
OB12B  .7053 .2533 -.2457  .020   .017   .017   .025  -.001  -.002  -.004
OB13A  .7369    .5 -.2420  .080   .050   .073   .118      0   .003      0
OB13B  .7654 .2440 -.2397  .018   .013   .016   .026  -.017  -.005   .010
OB14A  .7978     0 -.2460  .094   .041   .097   .143      0   .010      0
OB14B  .8251 .2586 -.2432  .015   .004   .028   .012  -.010  -.004   .006
OB15A  .8598    .5 -.2480  .091   .134   .046   .093      0   .055      0
OB15B  .8848 .2375 -.2524  .018   .009   .027   .017   .013  -.009  -.010
OB16A  .9155     0 -.2760  .089   .094   .090   .080      0  -.025      0
OB16B  .9431 .2620 -.2807  .026   .044   .025   .010  -.028  -.008   .016
OB17A  .9716    .5 -.3330  .230   .230   .021   .450      0   .250      0
OB17B      0 .2343  .6760  .073   .054   .020   .149   .010   .066  -.018
OHV0   .0117    .5  .2784  .021   .015   .000   .048      0  -.001      0
OHV1   .0746     0  .2411  .011   .017   .004   .010      0  -.002      0
OHV2   .1364    .5  .2171  .013   .037   .001   .001      0   .002      0
OHV3   .1987     0  .2063  .014   .026   .004   .011      0   .008      0
OHV4   .2608    .5  .1996  .014   .031   .005   .006      0  -.006      0
OHV5   .3218     0  .2080  .012   .025   .007   .005      0   .006      0
OHV6   .3832    .5  .2199  .013   .023   .010   .006      0  -.004      0
OHV7   .4447     0  .2452  .017   .012   .012   .027      0   .003      0
OHV8   .5070    .5  .2766  .019   .013   .022   .023      0  -.002      0
OHV9   .5518    .5 -.0039  .013   .022   .007   .010      0   .006      0
OHV10  .6143     0  .0298  .012   .009   .014   .012      0   .004      0
OHV11  .6759    .5  .0529  .016   .001   .011   .035      0   .002      0
OHV12  .7374     0  .0676  .016   .000   .019   .029      0  -.004      0
OHV13  .7992    .5  .0665  .017   .000   .025   .026      0   .008      0
OHV14  .8602     0  .0595  .025   .002   .030   .042      0  -.006      0
OHV15  .9216    .5  .0346  .024   .005   .017   .049      0   .007      0
OHV16  .9846     0  .0022  .027   .021   .032   .029      0   .002      0
OW1A   .0479    .5 -.0299  .025   .026   .025   .025      0   .001      0
OW1B   .0483 .1670 -.0349  .025   .017   .025   .032  -.003   .008   .003
OW2A   .1121     0 -.0599  .018   .011   .018   .025      0   .001      0
OW2B   .1126 .3320 -.0582  .016   .013   .021   .015   .005   .005   .001
OW3A   .1752    .5 -.0805  .016   .032   .009   .008      0   .008      0
OW3B   .1750 .1671 -.0829  .012   .023   .008   .005   .000   .009   .004
OW4A   .2384     0 -.0894  .013   .024   .007   .007      0   .003      0
OW4B   .2384 .3332 -.0886  .013   .031   .006   .003   .002   .001   .002
OW5A   .3006    .5 -.0855  .014   .031   .012   .000      0  -.001      0
OW5B   .3010 .1661 -.0850  .015   .036   .009   .000   .002   .005   .006
OW6A   .3638     0 -.0750  .011   .015   .009   .010      0   .005      0
OW6B   .3639 .3339 -.0754  .013   .027   .009   .002  -.002   .003  -.001
OW7A   .4270    .5 -.0486  .015   .015   .008   .021      0  -.002      0
OW7B   .4271 .1664 -.0531  .015   .019   .004   .023   .003   .007   .007
OW8A   .4897     0 -.0239  .011   .010   .006   .015      0  -.003      0
OW8B   .4898 .3321 -.0247  .013   .013   .004   .021   .004      0  -.002
OW9A   .5695     0  .2924  .023   .015   .025   .030      0   .010      0
OW9B   .5698 .3324  .2937  .020   .018   .029   .014   .002   .005   .000
OW10A  .6323    .5  .3277  .018   .023   .021   .010      0   .005      0
OW10B  .6329 .1679  .3267  .013   .010   .021   .009   .003  -.002   .006
OW11A  .6955     0  .3440  .019   .007   .016   .034      0  -.001      0
OW11B  .6960 .3330  .3454  .022   .008   .022   .036  -.002  -.001  -.002
OW12A  .7587    .5  .3526  .020   .000   .022   .037      0   .000      0
OW12B  .7584 .1688  .3534  .017   .000   .022   .030   .003  -.001   .006
OW13A  .8215     0  .3526  .020   .010   .018   .032      0  -.007      0
OW13B  .8213 .3330  .3501  .021   .004   .026   .035   .003   .000   .002
OW14A  .8844    .5  .3418  .018   .013   .014   .027      0  -.004      0
OW14B  .8845 .1669  .3413  .020   .011   .019   .029  -.003  -.014  -.004
OW15A  .9491     0  .3195  .018   .009   .013   .030      0  -.009      0
OW15B  .9492 .3331  .3156  .016   .014   .002   .032   .002  -.005  -.001
HI0    .0117    .5  .4170  .200
HI1    .0746     0  .3790  .200
HI2    .1364    .5  .3560  .200
HI3    .1987     0  .3440  .200
HI4    .2608    .5  .3360  .200
HI5    .3218     0  .3440  .200
HI6    .3832    .5  .3570  .200
HI7    .4447     0  .3850  .200
HI8    .5070    .5  .4140  .200
HI9    .5518    .5 -.1430  .200
HI10   .6143     0 -.1090  .200
HI11   .6759    .5 -.0860  .200
HI12   .7374     0 -.0700  .200
HI13   .7992    .5 -.0710  .200
HI14   .8602     0 -.0790  .200
HI15   .9216    .5 -.1040  .200
HI16   .9846     0 -.1360  .200
H1A    .0479    .5 -.1680  .082
H1B    .0483 .1670 -.1720  .082
H2A    .1121     0 -.1980  .082
H2B    .1126 .3320 -.1970  .082
H3A    .1752    .5 -.2180  .082
H3B    .1750 .1671 -.2220  .082
H4A    .2384     0 -.2240  .082
H4B    .2384 .3332 -.2210  .082
H5A    .3006    .5 -.2220  .082
H5B    .3010 .1661 -.2200  .082
H6A    .3638     0 -.2120  .082
H6B    .3639 .3339 -.2130  .082
H7A    .4270    .5 -.1870  .082
H7B    .4271 .1664 -.1930  .082
H8A    .4897     0 -.1610  .082
H8B    .4898 .3321 -.1610  .082
H9A    .5695     0  .4300  .082
H9B    .5698 .3324  .4330  .082
H10A   .6323    .5  .4640  .082
H10B   .6329 .1679  .4660  .082
H11A   .6955     0  .4800  .082
H11B   .6960 .3330  .4820  .082
H12A   .7587    .5  .4880  .082
H12B   .7584 .1688  .4880  .082
H13A   .8215     0  .4880  .082
H13B   .8213 .3330  .4850  .082
H14A   .8844    .5  .4800  .082
H14B   .8845 .1669  .4830  .082
H15A   .9491     0  .4590  .082
H15B   .9492 .3331  .4530  .082
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Antigorite
Download hom/antigorite.pdf
Capitani G C, Mellini M
Download am/vol91/AM91_394.pdf
American Mineralogist 91 (2006) 394-399
The crystal structure of a second antigorite polysome (m = 16),
by single-crystal synchrotron diffraction
_database_code_amcsd 0004123
81.664 9.255 7.261 90 91.409 90 C2/m
atom     x     y     z Uiso
Mg1A     0     0    .5 .019
Mg1B     0 .6649    .5 .020
Mg2A .9668    .5 .4629 .019
Mg2B .9665 .8337 .4598 .020
Mg3A .9332     0 .4301 .019
Mg3B .9334 .6648 .4308 .020
Mg4A .9003    .5 .4165 .018
Mg4B .9001 .8316 .4160 .018
Mg5A .8669     0 .4116 .020
Mg5B .8671 .6658 .4113 .017
Mg6A .8338    .5 .4126 .023
Mg6B .8337 .8337 .4181 .018
Mg7A .8005     0 .4301 .018
Mg7B .8003 .6662 .4396 .023
Mg8A .7669    .5 .4812 .021
Mg8B .7668 .8346 .4727 .021
Si1  .9849 .8335 .8676 .021
Si2  .9534 .6664 .8275 .021
Si3  .9216 .8336 .8059 .020
Si4  .8895 .6664 .7958 .021
Si5  .8574 .8336 .7942 .021
Si6  .8254 .6664 .8015 .022
Si7  .7938 .8336 .8237 .024
Si8  .7619 .6665 .8626 .025
OA1  .9881 .8303 .6491 .026
OA2  .9550 .6637 .6071 .018
OA3  .9217 .8321 .5841 .021
OA4  .8893 .6686 .5712 .026
OA5  .8569 .8392 .5733 .022
OA6  .8238 .6713 .5799 .022
OA7  .7909 .8345 .6026 .021
OA8  .7575 .6681 .6474 .027
OB1A .9807     0 .9391 .035
OB2A .9511    .5 .9048 .028
OB3A .9207     0 .8852 .032
OB4A .8887    .5 .8720 .030
OB5A .8564     0 .8736 .032
OB6A .8246    .5 .8819 .033
OB7A .7934     0 .9053 .034
OB8A .7631    .5 .9484 .061
OB0B     0 .7778     0 .027
OB1B .9697 .7333 .9266 .025
OB2B .9379 .7590 .8992 .021
OB3B .9060 .7438 .8815 .023
OB4B .8741 .7570 .8730 .024
OB5B .8423 .7412 .8769 .024
OB6B .8107 .7602 .8909 .030
OB7B .7798 .7416 .9235 .043
OB8B .7500 .7500     0 .063
OV1  .9882    .5 .6385 .019
OV2  .9538     0 .6049 .031
OV3  .9228    .5 .5787 .022
OV4  .8894     0 .5689 .018
OV5  .8559    .5 .5611 .020
OV6  .8239     0 .5777 .024
OV7  .7910    .5 .6051 .034
OV8  .7570     0 .6248 .019
OW1A .9785     0 .3453 .033
OW1B .9788 .6700 .3412 .018
OW2A .9461    .5 .3092 .034
OW2B .9447 .8360 .3059 .019
OW3A .9109     0 .2888 .015
OW3B .9118 .6707 .2841 .028
OW4A .8781    .5 .2740 .025
OW4B .8780 .8305 .2807 .023
OW5A .8449     0 .2820 .026
OW5B .8442 .6674 .2794 .023
OW6A .8104    .5 .2952 .022
OW6B .8107 .8318 .2966 .025
OW7A .7765     0 .3198 .028
OW7B .7765 .6697 .3307 .024
HI1  .9882    .5 .7720 .023
HI2  .9538     0 .7370 .023
HI3  .9228    .5 .7040 .023
HI4  .8894     0 .7000 .023
HI5  .8559    .5 .6920 .023
HI6  .8239     0 .7030 .023
HI7  .7910    .5 .7340 .023
HI8  .7570     0 .7560 .023
HH1A .9785     0 .2040 .047
HH1B .9788 .6700 .1910 .047
HH2A .9461    .5 .1810 .047
HH2B .9447 .8360 .1680 .047
HH3A .9109     0 .1490 .047
HH3B .9118 .6707 .1410 .047
HH4A .8781    .5 .1350 .047
HH4B .8780 .8305 .1470 .047
HH5A .8449     0 .1380 .047
HH5B .8442 .6674 .1410 .047
HH6A .8104    .5 .1520 .047
HH6B .8107 .8318 .1640 .047
HH7A .7765     0 .1570 .047
HH7B .7765 .6697 .1920 .047
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyrochlore
Download hom/pyrochlore.pdf
Bonazzi P, Bindi L, Zoppi M, Capitani G C, Olmi F
Download am/vol91/AM91_794.pdf
American Mineralogist 91 (2006) 794-801
Single-crystal diffraction and transmission electron microscopy studies
of "silicified" pyrochlore from Narssarssk, Julianehaab district, Greenland
Locality: Narssarssk, Julianehaab district, Greenland
Sample: 396a
_database_code_amcsd 0004144
10.4200 10.4200 10.4200 90 90 90 *Fd-3m
.125 .125 .125
atom     x    y    z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na      .5   .5   .5 .185  .024   .024   .024   .024  .0011  .0011  .0011
K       .5   .5   .5 .010  .024   .024   .024   .024  .0011  .0011  .0011
Ca      .5   .5   .5 .365  .024   .024   .024   .024  .0011  .0011  .0011
Sr      .5   .5   .5 .035  .024   .024   .024   .024  .0011  .0011  .0011
Mn      .5   .5   .5 .020  .024   .024   .024   .024  .0011  .0011  .0011
Pb      .5   .5   .5 .005  .024   .024   .024   .024  .0011  .0011  .0011
La      .5   .5   .5 .005  .024   .024   .024   .024  .0011  .0011  .0011
Ce      .5   .5   .5 .015  .024   .024   .024   .024  .0011  .0011  .0011
Nd      .5   .5   .5 .005  .024   .024   .024   .024  .0011  .0011  .0011
U       .5   .5   .5 .010  .024   .024   .024   .024  .0011  .0011  .0011
Nb       0    0    0 .860 .0198  .0198  .0198  .0198 -.0018 -.0018 -.0018
Ta       0    0    0 .010 .0198  .0198  .0198  .0198 -.0018 -.0018 -.0018
Ti       0    0    0 .080 .0198  .0198  .0198  .0198 -.0018 -.0018 -.0018
Si       0    0    0 .035 .0198  .0198  .0198  .0198 -.0018 -.0018 -.0018
Fe       0    0    0 .015 .0198  .0198  .0198  .0198 -.0018 -.0018 -.0018
O    .3175 .125 .125 .838 .0228   .027   .021   .021      0      0   .008
OH   .3175 .125 .125 .162 .0228   .027   .021   .021      0      0   .008
F     .375 .375 .375  .62  .044   .044   .044   .044      0      0      0
OH    .375 .375 .375  .38  .044   .044   .044   .044      0      0      0
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Pyrochlore
Download hom/pyrochlore.pdf
Bonazzi P, Bindi L, Zoppi M, Capitani G C, Olmi F
Download am/vol91/AM91_794.pdf
American Mineralogist 91 (2006) 794-801
Single-crystal diffraction and transmission electron microscopy studies
of "silicified" pyrochlore from Narssarssk, Julianehaab district, Greenland
Locality: Narssarssk, Julianehaab district, Greenland
Sample: 170a
_database_code_amcsd 0004145
10.3738 10.3738 10.3738 90 90 90 *Fd-3m
.125 .125 .125
atom     x    y    z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na      .5   .5   .5 .090  .026   .026   .026   .026  .0053  .0053  .0053
K       .5   .5   .5 .025  .026   .026   .026   .026  .0053  .0053  .0053
Ca      .5   .5   .5 .360  .026   .026   .026   .026  .0053  .0053  .0053
Sr      .5   .5   .5 .040  .026   .026   .026   .026  .0053  .0053  .0053
Mn      .5   .5   .5 .020  .026   .026   .026   .026  .0053  .0053  .0053
Pb      .5   .5   .5 .005  .026   .026   .026   .026  .0053  .0053  .0053
La      .5   .5   .5 .005  .026   .026   .026   .026  .0053  .0053  .0053
Ce      .5   .5   .5 .020  .026   .026   .026   .026  .0053  .0053  .0053
Nd      .5   .5   .5 .005  .026   .026   .026   .026  .0053  .0053  .0053
U       .5   .5   .5 .010  .026   .026   .026   .026  .0053  .0053  .0053
Nb       0    0    0 .740 .0225  .0225  .0225  .0225 -.0017 -.0017 -.0017
Ta       0    0    0 .020 .0225  .0225  .0225  .0225 -.0017 -.0017 -.0017
Ti       0    0    0 .080 .0225  .0225  .0225  .0225 -.0017 -.0017 -.0017
Si       0    0    0 .120 .0225  .0225  .0225  .0225 -.0017 -.0017 -.0017
Fe       0    0    0 .040 .0225  .0225  .0225  .0225 -.0017 -.0017 -.0017
O    .3173 .125 .125 .772  .028   .029   .028   .028      0      0   .011
OH   .3173 .125 .125 .228  .028   .029   .028   .028      0      0   .011
F     .375 .375 .375 .460  .031   .031   .026   .026      0      0      0
OH    .375 .375 .375 .540  .031   .031   .031   .031      0      0      0
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Moissanite
Download hom/moissanite.pdf
Capitani G C, Di Pierro S, Tempesta G
Download am/vol92/AM92_403.pdf
American Mineralogist 92 (2007) 403-407
The 6H-SiC structure model: Further refinement from SCXRD data from a
terrestrial moissanite
Locality: 150 km NW from Izmir, Turkey
_database_code_amcsd 0004279
3.0810 3.0810 15.1248 90 90 120 P6_3mc
atom   x   y     z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si1    0   0     0 .005   .005   .005   .005   .002      0      0
Si2  1/3 2/3 .1664 .005   .005   .005   .005   .002      0      0
Si3  2/3 1/3 .3329 .005   .005   .005   .006   .002      0      0
C1   1/3 2/3 .0412 .005   .006   .006   .004   .003      0      0
C2   2/3 1/3 .2080 .005   .005   .005   .005   .002      0      0
C3     0   0 .3746 .005   .005   .005   .005   .003      0      0
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Allanite-subgroup mineral
 
Bonazzi P, Holtstam D, Bindi L, Nysten P, Capitani G
Download am/vol94/AM94_121.pdf
American Mineralogist 94 (2009) 121-134
Multi-analytical approach to solve the puzzle of an allanite-subgroup mineral
from Kesebol, Vastra Gotaland, Sweden
Locality: Kesebol, Vastra Gotaland, Sweden
Note: K1 sample
_database_code_amcsd 0004804
8.971 5.766 10.224 90 114.53 90 P2_1/m
atom      x      y      z    occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
MnA1 .75985    .75 .15222 .61930 .02178 .03375 .01573 .02174       0  .01737       0
CaA1 .75985    .75 .15222 .38070 .02178 .03375 .01573 .02174       0  .01737       0
CaA2 .59423    .75 .42645 .22580 .02141 .01791 .02704 .01675       0  .00468       0
CeA2 .59423    .75 .42645 .77420 .02141 .01791 .02704 .01675       0  .00468       0
FeM2      0      0     .5 .15852 .01538 .01492 .01219 .01748  .00065  .00519 -.00090
AlM2      0      0     .5 .84148 .01538 .01492 .01219 .01748  .00065  .00519 -.00090
AlM1      0      0      0 .23598 .01651 .01548 .01439 .01877 -.00084  .00624 -.00006
MnM1      0      0      0 .76402 .01651 .01548 .01439 .01877 -.00084  .00624 -.00006
MnM3 .31013    .25 .21314 .99986 .02142 .01974 .01817 .01810       0 -.00038       0
AlM3 .31013    .25 .21314 .00014 .02142 .01974 .01817 .01810       0 -.00038       0
Si1  .34385    .75 .03730        .01433 .01449 .01261 .01406       0  .00409       0
Si2  .69137    .25 .27868        .01585 .01681 .01415 .01621       0  .00649       0
Si3  .19087    .75 .32538        .01333 .01347 .01377 .01373       0  .00664       0
O1   .23974 .98871 .02674        .02247 .02123 .01641 .03057  .00177  .01155  .00211
O2   .31498 .97286 .36406        .01994 .02173 .01838 .02108 -.00371  .01025 -.00051
O3   .80163 .01596 .33303        .02261 .02025 .01498 .02364  .00068  .00017 -.00247
O4   .05807    .25 .13451        .02065 .01810 .01966 .02123       0  .00522       0
O5   .04948    .75 .15619        .01874 .01857 .02014 .01642       0  .00619       0
O6   .07589    .75 .41641        .01690 .01789 .01587 .01905       0  .00979       0
O7   .51235    .75 .17830        .02358 .02418 .02267 .01800       0  .00286       0
O8   .55043    .25 .33622        .03773 .02722 .06057 .03215       0  .01905       0
O9   .60860    .25 .10132        .02686 .02717 .03407 .01970       0  .01008       0
O10  .09171    .25 .43407        .01820 .01721 .01752 .02085       0  .00889       0
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Allanite-subgroup mineral
 
Bonazzi P, Holtstam D, Bindi L, Nysten P, Capitani G
Download am/vol94/AM94_121.pdf
American Mineralogist 94 (2009) 121-134
Multi-analytical approach to solve the puzzle of an allanite-subgroup mineral
from Kesebol, Vastra Gotaland, Sweden
Locality: Kesebol, Vastra Gotaland, Sweden
Note: K2 sample
_database_code_amcsd 0004805
8.943 5.768 10.195 90 114.42 90 P2_1/m
atom      x      y      z    occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
MnA1 .75964    .75 .15194 .61828 .02279 .03535 .01653 .02311       0 .01873       0
CaA1 .75964    .75 .15194 .38172 .02279 .03535 .01653 .02311       0 .01873       0
CeA2 .59410    .75 .42632 .73530 .02174 .01926 .02626 .01878       0 .00693       0
CaA2 .59410    .75 .42632 .26470 .02174 .01926 .02626 .01878       0 .00693       0
FeM2      0      0     .5 .15348 .01694 .01740 .01435 .01895 -.00084 .00738 -.00003
AlM2      0      0     .5 .84652 .01694 .01740 .01435 .01895 -.00084 .00738 -.00003
AlM1      0      0      0 .28730 .01747 .01719 .01483 .02109 -.00104 .00862 -.00113
MnM1      0      0      0 .71270 .01747 .01719 .01483 .02109 -.00104 .00862 -.00113
MnM3 .30962    .25 .21349 .99544 .02213 .02152 .01798 .02097       0 .00285       0
AlM3 .30962    .25 .21349 .00456 .02213 .02152 .01798 .02097       0 .00285       0
Si1  .34438    .75 .03787        .01588 .01620 .01434 .01653       0 .00619       0
Si2  .69149    .25 .27847        .01715 .01893 .01420 .02004       0 .00978       0
Si3  .19044    .75 .32513        .01454 .01570 .01428 .01617       0 .00915       0
O1   .24009 .98935 .02760        .02371 .02372 .01472 .03463  .00122 .01402  .00279
O2   .31387 .97345 .36316        .02285 .02463 .02241 .02361 -.00294 .01208 -.00374
O3   .80123 .01557 .33193        .02298 .02137 .01703 .02395 -.00076 .00275  .00125
O4   .05825    .25 .13506        .02337 .02324 .01968 .02693       0 .01011       0
O5   .04918    .75 .15562        .02065 .02231 .01960 .02073       0 .00958       0
O6   .07584    .75 .41702        .01953 .02127 .01643 .02585       0 .01471       0
O7   .51255    .75 .17764        .02563 .02623 .02526 .02168       0 .00618       0
O8   .54890    .25 .33404        .03959 .03725 .05858 .03453       0 .02647       0
O9   .60920    .25 .10193        .02846 .03176 .03639 .01869       0 .01189       0
O10  .09094    .25 .43312        .02007 .02124 .01686 .02476       0 .01218       0
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Allanite-subgroup mineral
 
Bonazzi P, Holtstam D, Bindi L, Nysten P, Capitani G
Download am/vol94/AM94_121.pdf
American Mineralogist 94 (2009) 121-134
Multi-analytical approach to solve the puzzle of an allanite-subgroup mineral
from Kesebol, Vastra Gotaland, Sweden
Locality: Kesebol, Vastra Gotaland, Sweden
Note: K4 sample
_database_code_amcsd 0004806
8.958 5.764 10.205 90 114.50 90 P2_1/m
atom      x      y      z    occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
MnA1 .75942    .75 .15215 .64898 .02151 .03263 .01567 .02246       0  .01764       0
CaA1 .75942    .75 .15215 .35102 .02151 .03263 .01567 .02246       0  .01764       0
CaA2 .59417    .75 .42654 .25308 .02112 .01789 .02661 .01683       0  .00518       0
CeA2 .59417    .75 .42654 .74692 .02112 .01789 .02661 .01683       0  .00518       0
FeM2      0      0     .5 .14258 .01527 .01557 .01235 .01750  .00063  .00647 -.00029
AlM2      0      0     .5 .85742 .01527 .01557 .01235 .01750  .00063  .00647 -.00029
AlM1      0      0      0 .25804 .01644 .01610 .01419 .01865 -.00082  .00683 -.00064
MnM1      0      0      0 .74196 .01644 .01610 .01419 .01865 -.00082  .00683 -.00064
MnM3 .30992    .25 .21352 .99958 .02137 .01980 .01796 .01912       0  .00087       0
AlM3 .30992    .25 .21352 .00042 .02137 .01980 .01796 .01912       0  .00087       0
Si1  .34409    .75 .03730        .01507 .01498 .01327 .01596       0  .00541       0
Si2  .69156    .25 .27856        .01566 .01646 .01419 .01682       0  .00739       0
Si3  .19083    .75 .32537        .01384 .01386 .01404 .01481       0  .00713       0
O1   .23978 .98962 .02730        .02324 .02328 .01578 .03195  .00365  .01273  .00219
O2   .31488 .97360 .36311        .02000 .02182 .02008 .01980 -.00439  .01032 -.00082
O3   .80196 .01497 .33236        .02250 .02127 .01406 .02471  .00155  .00209 -.00175
O4   .05865    .25 .13505        .02007 .01836 .01778 .02277       0  .00722       0
O5   .04912    .75 .15548        .01787 .01764 .01840 .01688       0  .00647       0
O6   .07660    .75 .41758        .01781 .01716 .01769 .02359       0  .01345       0
O7   .51251    .75 .17833        .02343 .01831 .02649 .01759       0 -.00045       0
O8   .54933    .25 .33542        .03581 .02661 .05602 .03255       0  .01999       0
O9   .60853    .25 .10177        .02744 .02932 .03348 .01993       0  .01062       0
O10  .09191    .25 .43368        .01871 .01902 .01676 .02242       0  .01066       0
Download AMC data (View Text File)
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Allanite-subgroup mineral
 
Bonazzi P, Holtstam D, Bindi L, Nysten P, Capitani G
Download am/vol94/AM94_121.pdf
American Mineralogist 94 (2009) 121-134
Multi-analytical approach to solve the puzzle of an allanite-subgroup mineral
from Kesebol, Vastra Gotaland, Sweden
Locality: Kesebol, Vastra Gotaland, Sweden
Note: K5 sample
_database_code_amcsd 0004807
8.953 5.763 10.186 90 114.42 90 P2_1/m
atom      x     y      z occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
MnA1  .7602   .75 .15245 .52  .0192  .0280  .0130  .0210  .0000  .0147  .0000
CaA1  .7602   .75 .15245 .48  .0192  .0280  .0130  .0210  .0000  .0147  .0000
CeA2 .59396   .75 .42667 .78 .01797  .0141  .0212  .0162  .0000 .00381  .0000
CaA2 .59396   .75 .42667 .22 .01797  .0141  .0212  .0162  .0000 .00381  .0000
FeM2      0     0     .5 .14  .0130  .0109  .0099  .0169 -.0003  .0045 -.0006
AlM2      0     0     .5 .86  .0130  .0109  .0099  .0169 -.0003  .0045 -.0006
MnM1      0     0      0 .78  .0142  .0119  .0116  .0174 -.0012  .0046 -.0007
AlM1      0     0      0 .22  .0142  .0119  .0116  .0174 -.0012  .0046 -.0007
MnM3 .30948   .25 .21307      .0179  .0149  .0144  .0173  .0000 -.0003  .0000
Si1   .3443   .75  .0374      .0128  .0124  .0101  .0138  .0000  .0032  .0000
Si2   .6914   .25  .2793      .0133  .0127  .0107  .0158  .0000  .0052  .0000
Si3   .1908   .75  .3254      .0117  .0106  .0108  .0137  .0000  .0051  .0000
O1    .2402 .9894  .0273      .0198  .0184  .0126   .028  .0021  .0095  .0018
O2    .3147 .9729  .3635      .0181  .0168   .018   .019 -.0034  .0063 -.0005
O3    .8017 .0150  .3332      .0200  .0182  .0112   .023  .0005  .0009 -.0018
O4    .0578   .25  .1353      .0175   .017   .013   .019  .0000   .004  .0000
O5    .0494   .75  .1565      .0170   .017   .016   .016  .0000   .004  .0000
O6    .0760   .75  .4169      .0156   .015   .014   .021  .0000   .011  .0000
O7    .5131   .75  .1781      .0201   .019   .020   .015  .0000   .001  .0000
O8    .5504   .25  .3376      .0316   .021   .050   .030  .0000   .017  .0000
O9    .6093   .25  .1027      .0241   .023   .030   .019  .0000   .009  .0000
O10   .0911   .25  .4331      .0158   .013   .015   .020  .0000   .008  .0000
Download AMC data (View Text File)
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Allanite-subgroup mineral
 
Bonazzi P, Holtstam D, Bindi L, Nysten P, Capitani G
Download am/vol94/AM94_121.pdf
American Mineralogist 94 (2009) 121-134
Multi-analytical approach to solve the puzzle of an allanite-subgroup mineral
from Kesebol, Vastra Gotaland, Sweden
Locality: Kesebol, Vastra Gotaland, Sweden
Note: K5-600 sample, annealing under inert temperature
_database_code_amcsd 0004808
8.950 5.770 10.194 90 114.42 90 P2_1/m
atom      x      y      z     occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
MnA1 .76013    .75 .15246  .51174 .01750 .02570 .01315 .01732       0  .01257       0
CaA1 .76013    .75 .15246  .48826 .01750 .02570 .01315 .01732       0  .01257       0
CaA2 .59383    .75 .42672  .21280 .01697 .01258 .02232 .01297       0  .00223       0
CeA2 .59383    .75 .42672  .78720 .01697 .01258 .02232 .01297       0  .00223       0
FeM2      0      0     .5  .12330 .01165 .00998 .00989 .01313  .00059  .00281 -.00031
AlM2      0      0     .5  .87670 .01165 .00998 .00989 .01313  .00059  .00281 -.00031
AlM1      0      0      0  .20374 .01289 .01025 .01172 .01508 -.00092  .00359 -.00048
MnM1      0      0      0  .79626 .01289 .01025 .01172 .01508 -.00092  .00359 -.00048
MnM3 .30961    .25 .21299  .99978 .01657 .01310 .01473 .01413       0 -.00216       0
AlM3 .30961    .25 .21299  .00022 .01657 .01310 .01473 .01413       0 -.00216       0
Si1  .34418    .75 .03733         .01141 .01082 .00967 .01154       0  .00241       0
Si2  .69125    .25 .27925         .01245 .01141 .01182 .01287       0  .00378       0
Si3  .19079    .75 .32560         .01007 .00802 .01123 .01054       0  .00341       0
O1   .24023 .98931 .02737         .01797 .01596 .01217 .02538  .00205  .00812  .00100
O2   .31501 .97290 .36400         .01683 .01595 .01651 .01674 -.00344  .00546 -.00134
O3   .80141 .01511 .33329         .01860 .01524 .01296 .01870  .00159 -.00190 -.00184
O4   .05723    .25 .13479         .01682 .01406 .01540 .01768       0  .00323       0
O5   .04999    .75 .15629         .01523 .01389 .01598 .01329       0  .00308       0
O6   .07552    .75 .41641         .01431 .01462 .01417 .01624       0  .00850       0
O7   .51285    .75 .17851         .01818 .01587 .02006 .01351       0  .00095       0
O8   .55057    .25 .33633         .03114 .01994 .05416 .02410       0  .01388       0
O9   .60957    .25 .10203         .02190 .02155 .02743 .01672       0  .00790       0
O10  .09089    .25 .43331         .01369 .01185 .01378 .01421       0  .00417       0
Download AMC data (View Text File)
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Allanite-subgroup mineral
 
Bonazzi P, Holtstam D, Bindi L, Nysten P, Capitani G
Download am/vol94/AM94_121.pdf
American Mineralogist 94 (2009) 121-134
Multi-analytical approach to solve the puzzle of an allanite-subgroup mineral
from Kesebol, Vastra Gotaland, Sweden
Locality: Kesebol, Vastra Gotaland, Sweden
Note: K5-700 sample, annealing ex situ under inert atmosphere
_database_code_amcsd 0004809
8.925 5.744 10.158 90 114.46 90 P2_1/m
atom      x     y      z occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
MnA1 .76071   .75 .15180 .52  .0116  .0177  .0094  .0107  .0000  .0088  .0000
CaA1 .76071   .75 .15180 .48  .0116  .0177  .0094  .0107  .0000  .0088  .0000
CeA2 .59496   .75 .42657 .78 .01164 .00907 .01519 .00884  .0000 .00190  .0000
CaA2 .59496   .75 .42657 .22 .01164 .00907 .01519 .00884  .0000 .00190  .0000
FeM2      0     0     .5 .14  .0083  .0069  .0070  .0094  .0001  .0019 -.0004
AlM2      0     0     .5 .86  .0083  .0069  .0070  .0094  .0001  .0019 -.0004
MnM1      0     0      0 .78  .0088  .0073  .0084  .0094 -.0006  .0023 -.0006
AlM1      0     0      0 .22  .0088  .0073  .0084  .0094 -.0006  .0023 -.0006
MnM3 .30626   .25 .21377     .00972  .0073  .0095  .0084  .0000 -.0007  .0000
Si1  .34464   .75 .03876      .0079  .0075  .0069  .0079  .0000  .0019  .0000
Si2  .68996   .25 .27864      .0078  .0065  .0082  .0085  .0000  .0028  .0000
Si3  .19090   .75 .32504      .0067  .0054  .0074  .0070  .0000  .0024  .0000
O1    .2409 .9898  .0292      .0129  .0113  .0089  .0186  .0022  .0064  .0009
O2    .3148 .9733  .3634      .0110  .0098  .0114  .0114 -.0026  .0039 -.0010
O3    .8004 .0149  .3334      .0128  .0103  .0076  .0150  .0003 -.0002 -.0013
O4    .0562   .25  .1339      .0108  .0099  .0103  .0107  .0000  .0027  .0000
O5    .0497   .75  .1561      .0102  .0090  .0105  .0091  .0000  .0018  .0000
O6    .0757   .75  .4166      .0106  .0109  .0104  .0134  .0000  .0078  .0000
O7    .5143   .75  .1786      .0134  .0110  .0160  .0087  .0000 -.0004  .0000
O8    .5486   .25  .3359      .0220  .0134   .038   .020  .0000  .0117  .0000
O9    .6098   .25  .1016      .0174  .0174   .027  .0093  .0000  .0064  .0000
O10   .0913   .25  .4329      .0103  .0088  .0102  .0126  .0000  .0051  .0000
H      .018   .25   .293        .02
Download AMC data (View Text File)
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Allanite-subgroup mineral
 
Bonazzi P, Holtstam D, Bindi L, Nysten P, Capitani G
Download am/vol94/AM94_121.pdf
American Mineralogist 94 (2009) 121-134
Multi-analytical approach to solve the puzzle of an allanite-subgroup mineral
from Kesebol, Vastra Gotaland, Sweden
Locality: Kesebol, Vastra Gotaland, Sweden
Note: K3-550 sample
_database_code_amcsd 0004810
8.922 5.717 10.272 90 115.24 90 P2_1/m
atom      x      y      z    occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
MnA1 .76091    .75 .15059 .60784 .01799 .02476 .01529 .01917       0 .01440       0
CaA1 .76091    .75 .15059 .39216 .01799 .02476 .01529 .01917       0 .01440       0
CaA2 .60563    .75 .42478 .75888 .01958 .01803 .02297 .01534       0 .00482       0
CeA2 .60563    .75 .42478 .24112 .01958 .01803 .02297 .01534       0 .00482       0
FeM2      0      0     .5 .17158 .01404 .01202 .01359 .01549  .00146 .00490 -.00002
AlM2      0      0     .5 .82842 .01404 .01202 .01359 .01549  .00146 .00490 -.00002
AlM1      0      0      0 .23436 .01391 .01131 .01257 .01596 -.00071 .00399 -.00076
MnM1      0      0      0 .76564 .01391 .01131 .01257 .01596 -.00071 .00399 -.00076
MnM3 .30231    .25 .21924 .94994 .01550 .01223 .01446 .01580       0 .00213       0
AlM3 .30231    .25 .21924 .05006 .01550 .01223 .01446 .01580       0 .00213       0
Si1  .34448    .75 .04184        .01294 .01125 .01239 .01389       0 .00411       0
Si2  .68920    .25 .27311        .01430 .01284 .01393 .01657       0 .00670       0
Si3  .19022    .75 .32387        .01189 .01024 .01331 .01274       0 .00551       0
O1   .24108 .99191 .03464        .02165 .01794 .01689 .03147  .00262 .01185  .00421
O2   .31473 .97641 .36076        .01791 .01595 .01884 .01962 -.00435 .00823 -.00280
O3   .79912 .01442 .33091        .02096 .01767 .01450 .02302  .00121 .00130 -.00254
O4   .05879    .25 .13129        .01627 .01522 .01629 .01799       0 .00775       0
O5   .04674    .75 .15496        .01726 .01407 .01888 .01578       0 .00344       0
O6   .07946    .75 .41656        .01747 .01869 .01572 .02339       0 .01415       0
O7   .51719    .75 .17907        .02104 .01776 .02082 .01734       0 .00057       0
O8   .54088    .25 .32279        .03243 .02443 .04595 .03557       0 .02111       0
O9   .61215    .25 .09779        .02949 .03210 .04125 .01743       0 .01278       0
O10  .09220    .25 .43941        .01665 .01511 .01548 .02277       0 .01134       0
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Allanite-subgroup mineral
 
Bonazzi P, Holtstam D, Bindi L, Nysten P, Capitani G
Download am/vol94/AM94_121.pdf
American Mineralogist 94 (2009) 121-134
Multi-analytical approach to solve the puzzle of an allanite-subgroup mineral
from Kesebol, Vastra Gotaland, Sweden
Locality: Kesebol, Vastra Gotaland, Sweden
Note: K3-600 sample
_database_code_amcsd 0004811
8.908 5.711 10.314 90 115.38 90 P2_1/m
atom      x      y      z    occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
MnA1 .76168    .75 .15039 .54656 .01684 .02236 .01385 .01801       0  .01216       0
CaA1 .76168    .75 .15039 .45344 .01684 .02236 .01385 .01801       0  .01216       0
CaA2 .60820    .75 .42438 .76712 .01802 .01606 .02067 .01387       0  .00314       0
CeA2 .60820    .75 .42438 .23288 .01802 .01606 .02067 .01387       0  .00314       0
FeM2      0      0     .5 .18596 .01319 .01057 .01278 .01469  .00179  .00395 -.00105
AlM2      0      0     .5 .81404 .01319 .01057 .01278 .01469  .00179  .00395 -.00105
AlM1      0      0      0 .24310 .01213 .00987 .00967 .01381 -.00066  .00219 -.00037
MnM1      0      0      0 .75690 .01213 .00987 .00967 .01381 -.00066  .00219 -.00037
MnM3 .30147    .25 .22049 .93882 .01325 .01003 .01042 .01424       0  .00037       0
AlM3 .30147    .25 .22049 .06118 .01325 .01003 .01042 .01424       0  .00037       0
Si1  .34442    .75 .04252        .01155 .00955 .00885 .01373       0  .00257       0
Si2  .68914    .25 .27190        .01318 .01030 .01221 .01611       0  .00480       0
Si3  .19046    .75 .32413        .01075 .00823 .01016 .01281       0  .00351       0
O1   .24088 .99254 .03566        .02022 .01709 .01281 .02997  .00002  .00933  .00243
O2   .31508 .97693 .36053        .01702 .01368 .02035 .01832 -.00286  .00810 -.00023
O3   .79955 .01496 .33049        .02017 .01659 .01085 .02579 -.00056  .00217 -.00122
O4   .05838    .25 .13034        .01493 .01261 .01082 .01785       0  .00319       0
O5   .04673    .75 .15481        .01682 .01324 .01677 .01639       0  .00247       0
O6   .08076    .75 .41720        .01652 .01433 .01329 .02419       0  .01040       0
O7   .51862    .75 .17982        .01973 .01525 .01714 .01678       0 -.00268       0
O8   .53927    .25 .31983        .02807 .02053 .03859 .03382       0  .01996       0
O9   .61385    .25 .09667        .02805 .03261 .03486 .01896       0  .01323       0
O10  .09308    .25 .44164        .01654 .01386 .01494 .02306       0  .01005       0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Allanite-subgroup mineral
 
Bonazzi P, Holtstam D, Bindi L, Nysten P, Capitani G
Download am/vol94/AM94_121.pdf
American Mineralogist 94 (2009) 121-134
Multi-analytical approach to solve the puzzle of an allanite-subgroup mineral
from Kesebol, Vastra Gotaland, Sweden
Locality: Kesebol, Vastra Gotaland, Sweden
Note: K3-700 sample
_database_code_amcsd 0004812
8.891 5.696 10.350 90 115.35 90 P2_1/m
atom      x      y      z    occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
MnA1 .76241    .75 .14949 .38286 .01501 .02083 .01204 .01720       0 .01295       0
CaA1 .76241    .75 .14949 .61714 .01501 .02083 .01204 .01720       0 .01295       0
CaA2 .61123    .75 .42393 .81246 .01602 .01414 .01892 .01393       0 .00500       0
CeA2 .61123    .75 .42393 .18754 .01602 .01414 .01892 .01393       0 .00500       0
FeM2      0      0     .5 .26452 .01116 .00963 .00988 .01363  .00093 .00467 -.00062
AlM2      0      0     .5 .73548 .01116 .00963 .00988 .01363  .00093 .00467 -.00062
AlM1      0      0      0 .29030 .01091 .00921 .00798 .01459 -.00045 .00419 -.00028
MnM1      0      0      0 .70970 .01091 .00921 .00798 .01459 -.00045 .00419 -.00028
MnM3 .29969    .25 .22165 .96690 .01121 .00806 .00987 .01346       0 .00248       0
AlM3 .29969    .25 .22165 .03310 .01121 .00806 .00987 .01346       0 .00248       0
Si1  .34436    .75 .04362        .00989 .00849 .00772 .01331       0 .00452       0
Si2  .68799    .25 .26941        .01120 .01092 .00977 .01458       0 .00707       0
Si3  .19050    .75 .32273        .00929 .00700 .00956 .01183       0 .00452       0
O1   .24130 .99217 .03694        .01709 .01379 .01135 .02736  .00272 .01001  .00252
O2   .31596 .97788 .35936        .01427 .01254 .01357 .01765 -.00219 .00737 -.00104
O3   .79755 .01402 .32870        .01662 .01293 .00973 .02212  .00036 .00267 -.00191
O4   .05937    .25 .12938        .01278 .01069 .01268 .01392       0 .00428       0
O5   .04624    .75 .15382        .01490 .01218 .01432 .01671       0 .00476       0
O6   .08270    .75 .41711        .01511 .01515 .01362 .02054       0 .01144       0
O7   .51840    .75 .17949        .01750 .01358 .01592 .01938       0 .00360       0
O8   .53741    .25 .31613        .02348 .01401 .03660 .02394       0 .01205       0
O9   .61431    .25 .09533        .02539 .02793 .03407 .01891       0 .01456       0
O10  .09308    .25 .44296        .01408 .01235 .01173 .02131       0 .01021       0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Allanite-subgroup mineral
 
Bonazzi P, Holtstam D, Bindi L, Nysten P, Capitani G
Download am/vol94/AM94_121.pdf
American Mineralogist 94 (2009) 121-134
Multi-analytical approach to solve the puzzle of an allanite-subgroup mineral
from Kesebol, Vastra Gotaland, Sweden
Locality: Kesebol, Vastra Gotaland, Sweden
Note: K3-800 sample
_database_code_amcsd 0004813
8.894 5.699 10.368 90 115.69 90 P2_1/m
atom      x      y      z    occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
MnA1 .76259    .75 .14896 .27782 .01743 .02217 .01234 .02136       0  .01278       0
CaA1 .76259    .75 .14896 .72218 .01743 .02217 .01234 .02136       0  .01278       0
CaA2 .61278    .75 .42323 .16578 .01726 .01370 .01859 .01754       0  .00493       0
CeA2 .61278    .75 .42323 .83422 .01726 .01370 .01859 .01754       0  .00493       0
FeM2      0      0     .5 .39126 .01304 .00990 .00929 .01812  .00093  .00436 -.00038
AlM2      0      0     .5 .60874 .01304 .00990 .00929 .01812  .00093  .00436 -.00038
AlM1      0      0      0 .41324 .01287 .00964 .00823 .01805 -.00052  .00346 -.00046
MnM1      0      0      0 .58676 .01287 .00964 .00823 .01805 -.00052  .00346 -.00046
MnM3 .29836    .25 .22279 .95758 .01323 .00826 .01041 .01765       0  .00242       0
AlM3 .29836    .25 .22279 .04242 .01323 .00826 .01041 .01765       0  .00242       0
Si1  .34353    .75 .04344        .01261 .00960 .00815 .01871       0  .00484       0
Si2  .68634    .25 .26726        .01282 .01075 .00917 .01911       0  .00699       0
Si3  .19068    .75 .32126        .01133 .00844 .00958 .01555       0  .00478       0
O1   .23949 .99094 .03621        .01791 .01511 .01077 .02700  .00189  .00831  .00231
O2   .31679 .97772 .35845        .01591 .01340 .01467 .01871 -.00245  .00605 -.00175
O3   .79559 .01456 .32685        .01925 .01498 .00952 .02649  .00016  .00262 -.00202
O4   .06014    .25 .12823        .01428 .01118 .01275 .01518       0  .00218       0
O5   .04631    .75 .15269        .01720 .01184 .01539 .02187       0  .00492       0
O6   .08397    .75 .41715        .01806 .01657 .01690 .02333       0  .01108       0
O7   .51703    .75 .17904        .01898 .01260 .01670 .01924       0 -.00101       0
O8   .53568    .25 .31213        .02543 .01800 .03508 .02504       0  .01104       0
O9   .61327    .25 .09283        .02810 .03050 .03306 .02305       0  .01375       0
O10  .09490    .25 .44449        .01617 .01346 .01171 .02260       0  .00709       0
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Total number of retrieved datasets: 15
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