American Mineralogist Crystal Structure Database

5 matching records for this search.

Neptunite
Download hom/neptunite.pdf
Kunz M, Armbruster T, Lager G A, Schultz A J, Goyette R J,
Lottermoser W, Amthauer G
 
Physics and Chemistry of Minerals 18 (1991) 199-213
Fe, Ti ordering and octahedral distortions in acentric neptunite:
temperature dependent X-ray and neutron structure refinements
and Mossbauer Spectroscopy
Sample: T = 15 K
Locality: San Benito, California, USA
_database_code_amcsd 0007530
16.436 12.436 9.966 90 115.63 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)
Na1   .2659  .1958  .3105         .009   .008   .006  .0004   .004  .0004
Na2  -.2608 -.1995 -.3017         .004   .005   .008  -.002   .003  -.002
K1        0  .4206    .25        .0043   .016   .006   .002   .002   .001
Li1   .5025  .4360   .255         .012   .011   .011  -.006   .007  -.004
Ti1   .3428  .3262  .1032         .002   .004  .0007  -.001  .0007   .002
Fe1  -.3368 -.3149 -.0946         .002   .002   .002  -.001  .0014  -.002
Ti2   .0900  .0500  .1175 .0038
Fe2  -.0870 -.0623 -.1107        .0031  .0030  .0037 -.0008  .0016 -.0027
Si1   .1465  .4082  .0599        .0029  .0021  .0032 -.0001  .0017 -.0001
Si1a -.1439 -.4058 -.0599        .0029  .0021  .0032 -.0001  .0017 -.0001
Si2   .5247  .2258  .0843        .0025  .0028  .0028  .0002  .0012 -.0003
Si2a -.5216 -.2280 -.0869        .0025  .0028  .0028  .0002  .0012 -.0003
Si3   .7702  .4720  .1074        .0025  .0028  .0020 -.0004  .0008 -.0002
Si3a -.7695 -.4745 -.1100        .0025  .0028  .0020 -.0004  .0008 -.0002
Si4   .8954  .1512  .0796        .0026  .0025  .0025 -.0001  .0015  .0003
Si4a -.8951 -.1494 -.0850        .0026  .0025  .0025 -.0001  .0015  .0003
O1    .9569  .0498  .0695        .0041  .0031  .0040  .0006  .0019 -.0001
O1a  -.9508 -.0461 -.0739        .0041  .0031  .0040  .0006  .0019 -.0001
O2    .4559  .3243  .0712        .0046  .0027  .0047  .0011  .0024  .0004
O2a  -.4561 -.3287 -.0685        .0046  .0027  .0047  .0011  .0024  .0004
O3    .1085  .1681  .2575        .0054  .0048  .0040 -.0007  .0027 -.0005
O3a  -.1104 -.1700 -.2683        .0054  .0048  .0040 -.0007  .0027 -.0005
O4    .3705  .4306  .2223        .0057  .0041  .0055  .0005  .0034 -.0003
O4a  -.3745 -.4482 -.2567        .0057  .0041  .0055  .0005  .0034 -.0003
O5    .2062  .0734  .0948        .0053  .0029  .0036  .0011  .0015  .0001
O5a  -.2077 -.0787 -.0907        .0053  .0029  .0036  .0011  .0015  .0001
O6    .7119  .3626  .0391        .0039  .0028  .0044 -.0003  .0012 -.0004
O6a  -.7092 -.3663 -.0520        .0039  .0028  .0044 -.0003  .0012 -.0004
O7    .2135  .3092  .0750        .0046  .0041  .0046  .0003  .0024 -.0003
O7a  -.2051 -.3044 -.0678        .0046  .0041  .0046  .0003  .0024 -.0003
O8    .8317  .4915  .0184        .0052  .0032  .0048 -.0000  .0035  .0007
O8a  -.8312 -.4882 -.0192        .0052  .0032  .0048 -.0000  .0035  .0007
O9    .1578  .4498  .2209        .0042  .0065  .0024  .0004  .0014 -.0005
O9a  -.1587 -.4479 -.2238        .0042  .0065  .0024  .0004  .0014 -.0005
O10   .3962  .2124  .2498        .0041  .0039  .0034 -.0002  .0006  .0002
O10a -.3929 -.2094 -.2573        .0041  .0039  .0034 -.0002  .0006  .0002
O11   .4641  .1151  .0269        .0031  .0032  .0050 -.0009  .0017 -.0005
O11a -.4601 -.1185 -.0322        .0031  .0032  .0050 -.0009  .0017 -.0005
O12   .9286  .2606  .0256        .0052  .0032  .0048 -.0002  .0033  .0007
O12a -.9316 -.2576 -.0362        .0052  .0032  .0048 -.0002  .0033  .0007
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Neptunite
Download hom/neptunite.pdf
Kunz M, Armbruster T, Lager G A, Schultz A J, Goyette R J,
Lottermoser W, Amthauer G
 
Physics and Chemistry of Minerals 18 (1991) 199-213
Fe, Ti ordering and octahedral distortions in acentric neptunite:
temperature dependent X-ray and neutron structure refinements
and Mossbauer Spectroscopy
Sample: T = 110 K
Locality: San Benito, California, USA
_database_code_amcsd 0007531
16.430 12.436 9.963 90 115.60 90 Cc
atom      x       y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na1   .2671   .1969  .3123   .009  .0112   .011 -.0021  .0057 -.0037
Na2  -.2603  -.1994 -.3001   .007  .0108  .0075 -.0033  .0034 -.0019
K1        0  .42191    .25  .0060  .0175  .0090  .0009  .0029  .0007
Li1    .503   .4354   .253   .011   .008   .009  -.007   .007  -.007
Ti1   .3419  .32516  .1032  .0030  .0029  .0032    .00  .0015  .0001
Fe1  -.3384 -.31636 -.0959  .0039  .0054  .0044 -.0026  .0012  .0008
Ti2   .0876  .05251  .1141  .0022  .0048  .0036  .0003  .0008 -.0004
Fe2  -.0886 -.06083 -.1116  .0043  .0054  .0043 -.0010  .0025 -.0011
Si1   .1474   .4079  .0615  .0029  .0030  .0017 -.0002  .0008 -.0003
Si1a -.1432  -.4049 -.0590  .0024  .0034  .0045    .00  .0015  .0001
Si2   .5256   .2258  .0854  .0027  .0027  .0027 -.0001  .0007  .0002
Si2a -.5210  -.2284 -.0854  .0029  .0030  .0040 -.0004  .0016 -.0007
Si3   .7709   .4727  .1087  .0030  .0029  .0032  .0001  .0014 -.0002
Si3a -.7691  -.4748 -.1089  .0032  .0037  .0030  .0001  .0012  .0007
Si4   .8961   .1505  .0800  .0034  .0027  .0038  .0003  .0018 -.0003
Si4a -.8939  -.1492 -.0840  .0033  .0034  .0021 -.0001  .0011  .0002
O1    .9591   .0501  .0723  .0028  .0059  .0060  .0001  .0023 -.0006
O1a  -.9482  -.0448 -.0715  .0028  .0059  .0060  .0001  .0023 -.0006
O2    .4566   .3247  .0717  .0049  .0054  .0056  .0006  .0025 -.0009
O2a  -.4558  -.3292 -.0677  .0049  .0054  .0056  .0006  .0025 -.0009
O3    .1099   .1687  .2588  .0066  .0060  .0057 -.0009  .0034 -.0001
O3a  -.1090  -.1694 -.2669  .0066  .0060  .0057 -.0009  .0034 -.0001
O4    .3717   .4312  .2242   .006   .007   .005  .0018  .0020 -.0004
O4a  -.3744  -.4485 -.2578   .007   .007   .009 -.0017   .004 -.0001
O5    .2063   .0737  .0950  .0045  .0041  .0057  .0008  .0021    .00
O5a  -.2080  -.0792 -.0910  .0045  .0041  .0057  .0008  .0021    .00
O6    .7136   .3633  .0403  .0032  .0048  .0067  .0001  .0010 -.0001
O6a  -.7080  -.3673 -.0499  .0032  .0048  .0067  .0001  .0010 -.0001
O7    .2153   .3099  .0786  .0039  .0053  .0058  .0011  .0024 -.0004
O7a  -.2032  -.3020 -.0649  .0039  .0053  .0058  .0011  .0024 -.0004
O8    .8330   .4924  .0212  .0067  .0043  .0065  .0003  .0043  .0008
O8a  -.8306  -.4882 -.0170  .0067  .0043  .0065  .0003  .0043  .0008
O9    .1591   .4499  .2220  .0061  .0061  .0039 -.0001  .0021 -.0009
O9a  -.1582  -.4481 -.2225  .0061  .0061  .0039 -.0001  .0021 -.0009
O10   .3973   .2124  .2517  .0041  .0060  .0055 -.0008  .0004  .0001
O10a -.3917  -.2089 -.2552  .0041  .0060  .0055 -.0008  .0004  .0001
O11   .4650   .1156  .0271  .0027  .0052  .0066 -.0004  .0013 -.0001
O11a -.4591  -.1192 -.0293  .0027  .0052  .0066 -.0004  .0013 -.0001
O12   .9290   .2607  .0262  .0064  .0038  .0064  .0003  .0038  .0010
O12a -.9304  -.2562 -.0351  .0064  .0038  .0064  .0003  .0038  .0010
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Neptunite
Download hom/neptunite.pdf
Kunz M, Armbruster T, Lager G A, Schultz A J, Goyette R J,
Lottermoser W, Amthauer G
 
Physics and Chemistry of Minerals 18 (1991) 199-213
Fe, Ti ordering and octahedral distortions in acentric neptunite:
temperature dependent X-ray and neutron structure refinements
and Mossbauer Spectroscopy
Sample: T = 293 K
Locality: San Benito, California, USA
_database_code_amcsd 0007532
16.427 12.478 9.975 90 115.56 90 Cc
atom      x       y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na1   .2669   .1965  .3140   .016  .0232   .019 -.0074  .0101 -.0070
Na2  -.2613  -.1992 -.3009   .014  .0214  .0156 -.0043  .0071 -.0051
K1        0  .42058    .25  .0111  .0366  .0171  .0005  .0051  .0010
Li1    .502   .4353   .256   .012   .017   .013  -.009   .009  -.008
Ti1   .3425  .32500  .1034  .0057  .0063  .0059  .0003  .0026 -.0001
Fe1  -.3376 -.31636 -.0961  .0070  .0100  .0081  .0031  .0034  .0012
Ti2   .0882  .05243  .1144  .0064  .0077  .0056 -.0008  .0034 -.0005
Fe2  -.0877 -.06111 -.1118  .0072  .0095  .0083 -.0001  .0038 -.0012
Si1   .1469  .40781  .0616  .0047  .0063  .0048 -.0007  .0018 -.0006
Sia  -.1436 -.40499 -.0588  .0059  .0059  .0058  .0003  .0032  .0005
Si2   .5248   .2258  .0853  .0055  .0063  .0071 -.0004  .0036 -.0006
Si2a -.5214 -.22887 -.0852  .0047  .0054  .0048 -.0004  .0016 -.0004
Si3   .7706   .4729  .1096  .0061  .0067  .0054  .0002  .0031  .0009
Si3a -.7698 -.47541 -.1087  .0051  .0064  .0055    .00  .0021  .0002
Si4   .8954  .15005  .0797  .0053  .0066  .0056 -.0001  .0029  .0006
Si4a -.8942 -.14857 -.0836  .0070  .0049  .0057  .0008  .0035   -.00
O1    .9575   .0506  .0717  .0075  .0074  .0092   -.00  .0043 -.0006
O1a  -.9494  -.0445 -.0717  .0075  .0074  .0092   -.00  .0042 -.0006
O2    .4553   .3241  .0719  .0072  .0070  .0090  .0014  .0043  .0007
O2a  -.4563  -.3296 -.0668  .0072  .0070  .0090  .0014  .0043  .0007
O3    .1084   .1677  .2583  .0130  .0105  .0078 -.0022  .0064 -.0008
O3a  -.1099  -.1695 -.2671  .0130  .0105  .0078 -.0008  .0064 -.0008
O4    .3708   .4303  .2240   .010   .010   .009 -.0012  .0047 -.0029
O4a  -.3753  -.4493 -.2580   .013   .010   .011  .0009  .0070 -.0021
O5    .2058   .0740  .0961  .0079  .0084  .0090  .0018  .0045  .0009
O5a  -.2090  -.0792 -.0901  .0079  .0084  .0090  .0018  .0045  .0009
O6    .7133   .3642  .0386  .0075  .0083  .0109 -.0001  .0028 -.0002
O6a  -.7092  -.3676 -.0494  .0075  .0083  .0108 -.0001  .0028 -.0002
O7    .2138   .3098  .0777  .0077  .0074  .0089  .0012  .0042 -.0006
O7a  -.2050  -.3031 -.0659  .0077  .0074  .0089  .0012  .0042 -.0006
O8    .8328   .4933  .0223  .0100  .0088  .0109  .0010  .0073  .0023
O8a  -.8325  -.4893 -.0198  .0100  .0088  .0109  .0010  .0073  .0023
O9    .1586   .4514  .2226  .0099  .0129  .0057  .0001  .0029 -.0022
O9a  -.1595  -.4477 -.2217  .0099  .0129  .0057  .0001  .0029 -.0022
O10   .3969   .2128  .2507  .0082  .0099  .0079 -.0005  .0013  .0013
O10a -.3940  -.2090 -.2567  .0082  .0099  .0079 -.0005  .0013  .0013
O11   .4643   .1161  .0258  .0060  .0083  .0110 -.0008  .0024 -.0013
O11a -.4597  -.1200 -.0275  .0060  .0083  .0110 -.0008  .0024 -.0013
O12   .9272   .2600  .0248  .0116  .0067  .0107 -.0004  .0075  .0010
O12a -.9305  -.2554 -.0338  .0116  .0067  .0107 -.0004  .0075  .0010
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Neptunite
Download hom/neptunite.pdf
Kunz M, Armbruster T, Lager G A, Schultz A J, Goyette R J,
Lottermoser W, Amthauer G
 
Physics and Chemistry of Minerals 18 (1991) 199-213
Fe, Ti ordering and octahedral distortions in acentric neptunite:
temperature dependent X-ray and neutron structure refinements
and Mossbauer Spectroscopy
Sample: T = 493 K
Locality: San Benito, California, USA
_database_code_amcsd 0007533
16.426 12.532 9.995 90 115.51 90 Cc
atom      x      y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na1   .2658  .1956  .3146   .034   .044   .034  -.016   .017  -.015
Na2  -.2628 -.1983 -.3034   .026   .041   .032  -.008   .014  -.008
K1        0  .4188    .25  .0218   .072  .0301     .0  .0086     .0
Li1    .500  .4366   .260   .017   .023   .019  -.009   .011  -.007
Ti1   .3416  .3248  .1027  .0106  .0143  .0115 -.0003  .0039 -.0003
Fe1  -.3382 -.3160 -.0969  .0145  .0192  .0157  .0049  .0065  .0022
Ti2   .0875  .0524  .1143  .0121  .0157   .105 -.0004  .0046 -.0007
Fe2  -.0884 -.0613 -.1125  .0145  .0180  .0166 -.0006  .0078 -.0014
Si1   .1457  .4072  .0603   .009   .015   .010 -.0007  .0023 -.0007
Si1a -.1447 -.4046 -.0595   .013   .013   .012 -.0001  .0071  .0003
Si2   .5239  .2258  .0842   .011   .014   .012  .0002  .0053 -.0003
Si2a -.5219 -.2297 -.0856   .011   .011   .012 -.0003  .0032 -.0002
Si3   .7698  .4733  .1087   .011   .015   .012  .0001  .0044  .0010
Si3a -.7711 -.4764 -.1106   .012   .014   .011  .0005  .0041  .0008
Si4   .8944  .1490  .0786   .014   .013   .013  .0003   .006  .0008
Si4a -.8946 -.1479 -.0836   .012   .013   .011  .0001  .0048 -.0010
O1    .9581  .0508   .073   .013   .015   .016 -.0007  .0064 -.0018
O1a  -.9488 -.0439 -.0697   .013   .015   .016 -.0007  .0064 -.0018
O2    .4539  .3239  .0709   .012   .016   .018  .0021  .0075  .0011
O2a  -.4568 -.3295 -.0657   .012   .016   .018  .0021  .0075  .0011
O3    .1069  .1687  .2584   .025   .021   .015  -.001   .010 -.0007
O3a  -.1104 -.1674 -.2686   .025   .021   .015  -.001   .010 -.0007
O4    .3697  .4294  .2213   .018   .019   .016  -.003   .007  -.004
O4a  -.3758 -.4485 -.2583   .021   .022   .017     .0   .007  -.004
O5    .2042  .0734  .0953   .013   .017   .018   .002  .0071  .0015
O5a  -.2098 -.0795 -.0914   .013   .017   .018   .002  .0071  .0015
O6    .7129  .3671  .0362   .013   .015   .022  -.007  .0042 -.0001
O6a  -.7101 -.3682 -.0488   .013   .015   .022 -.0007  .0042 -.0001
O7    .2142  .3097  .0774   .014   .014   .016   .001   .006 -.0002
O7a  -.2046 -.3037 -.0656   .014   .014   .016   .001   .006 -.0002
O8    .8342  .4939   .025   .020   .018   .020 -.0005  .0131  .0033
O8a  -.8335 -.4910 -.0223   .020   .018   .020 -.0005  .0131  .0033
O9    .1593  .4511   .221   .019   .024  .0119  -.002  .0054 -.0041
O9a  -.1606 -.4483  -.222   .019   .024  .0119  -.002  .0054 -.0041
O10   .3964  .2147  .2516   .017   .019   .016  -.001  .0029  .0007
O10a -.3957 -.2072 -.2559   .017   .019   .016  -.001  .0029  .0007
O11   .4633  .1188   .022   .014   .016   .020 -.0036  .0051 -.0024
O11a -.4600 -.1206  -.026   .014   .016   .020 -.0036  .0051 -.0024
O12   .9256  .2588  .0235   .021   .014   .021  -.001   .014  .0003
O12a -.9297 -.2534 -.0313   .021   .014   .021  -.001   .014  .0003
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Neptunite
Download hom/neptunite.pdf
Cannillo E, Mazzi F, Rossi G
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0365-110X&volume=21&spage=200
Acta Crystallographica 21 (1966) 200-208
The crystal structure of neptunite
Locality: San Benito, California, USA
_database_code_amcsd 0018847
16.46 12.50 10.01 90 115.43 90 C2/c
atom      x     y     z occ Biso
Fe2+1 .3402 .3211 .0983  .5 1.52
Ti1   .3402 .3211 .0983  .5 1.52
Fe2+2 .0883 .0561 .1128  .5 1.52
Ti2   .0883 .0561 .1128  .5 1.52
Na    .2640 .1983 .3094     2.06
K         0 .4204   .25     1.72
Li       .5 .4353   .25     4.47
Si1   .1452 .4060 .0566       .8
Si2   .5233 .2280 .0855       .8
Si3   .7698 .4741 .1083       .8
Si4   .8942 .1491 .0816       .8
O1    .9538 .0446 .0688     1.44
O2    .4549 .3253 .0666     1.44
O3    .1099 .1673 .2664     1.44
O4    .3723 .4387 .2348     1.44
O5    .2050 .0796 .0888     1.44
O6    .7122 .3677 .0427     1.44
O7    .2088 .3077 .0707     1.44
O8    .8339 .4919 .0239     1.44
O9    .1592 .4505 .2148     1.44
O10   .3975 .2104 .2541     1.44
O11   .4613 .1173 .0239     1.44
O12   .9291 .2562 .0316     1.44
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 5
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