American Mineralogist Crystal Structure Database

4 matching records for this search.

Litidionite
 
Brandao P, Rocha J, Reis M S, dos Santos A M, Jin R
 
Journal of Solid State Chemistry 182 (2009) 253-258
Magnetic properties of KNaMSi4O10 compounds (M=Mn,Fe,Cu)
Locality: synthetic
_database_code_amcsd 0019812
6.9704 8.0111 9.7896 105.559 99.534 114.156 P-1
atom      x      y       z   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K     .1652  .7969  .49606  .0207  .0243  .0121  .0194  .0053  .0057  .0026
Na    .1625 1.1287   .9084  .0188  .0160  .0221  .0171  .0086  .0061  .0057
Cu   .33764 .87111 1.08760 .00953  .0108  .0111  .0073  .0064  .0021  .0027
Si1   .3119 1.1738  .35912  .0081  .0095  .0087  .0061  .0047  .0018  .0029
Si2   .3438  .6171  .77415  .0083  .0076  .0084  .0088  .0045  .0023  .0022
Si3   .4582 1.2878  .71053  .0073  .0087  .0072  .0068  .0040  .0026  .0035
Si4   .0661  .3543  .22202  .0088  .0069  .0084  .0103  .0039  .0019  .0025
O1    .4673  .7918   .9322  .0148   .012   .017   .011  .0057  .0025  .0001
O2    .3550 1.1848   .5303  .0195   .034   .013   .008   .008  .0041  .0057
O3    .4550  .6681   .6477  .0132   .012   .014   .013  .0041  .0060  .0071
O4    .0541  .7982   .9446  .0145   .011   .016   .013  .0078  .0009 -.0006
O5    .2210  .9575  1.2468  .0143   .015  .0094   .013  .0044  .0045 -.0011
O6    .0897  .5678   .7053  .0128   .010   .017  .0106  .0095  .0017  .0012
O7    .5825  .8843  1.2281  .0109   .014  .0103  .0114  .0061  .0030  .0080
O8   -.3276  .5934   .2285  .0175   .022   .014   .026  .0134   .015  .0094
O9    .2840  .5528   .2436  .0195   .010   .013   .032  .0022  .0031   .012
O10  -.1322  .7482   .6674  .0145   .014   .017   .018  .0103  .0056  .0101
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Fenaksite
Download hom/fenaksite.pdf
Brandao P, Rocha J, Reis M S, dos Santos A M, Jin R
 
Journal of Solid State Chemistry 182 (2009) 253-258
Magnetic properties of KNaMSi4O10 compounds (M=Mn,Fe,Cu)
Locality: synthetic
_database_code_amcsd 0019813
6.9742 8.1326 9.9301 105.778 100.60 114.262 P-1
atom       x       y       z   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K     .15803  .79726 -.01004 .02063 .02535 .01368 .02169 .00781 .01061 .00588
Na    .16344 1.13769  .40979 .02261  .0164  .0355  .0158  .0141 .00643  .0065
Fe    .65650 1.10800 .406521 .00959 .00924 .01052 .00935 .00550 .00206 .00374
Si1   .46815 1.30243  .21398 .00694 .00704 .00758 .00687 .00370 .00257 .00329
Si2   .37394  .64107  .27093 .00757 .00615 .00808 .00889 .00401 .00291 .00266
Si3   .70690  .82667  .13186 .00794 .00793 .00973 .00638 .00423 .00232 .00349
Si4   .94245  .64143  .27235 .00819 .00564 .00922 .00923 .00384 .00235 .00252
O1    .42910 1.14250  .28292 .01173  .0125  .0133  .0132  .0073  .0045  .0087
O2    .80044 1.04432  .23933 .01443  .0167  .0113  .0124  .0056  .0059  .0017
O3    .50591  .83013  .41928 .01162  .0113  .0108  .0095  .0040  .0023  .0022
O4    .67453  .81029 -.03836 .01695  .0195  .0162  .0069  .0022  .0016  .0047
O5    .72649 1.43266  .23103 .01698  .0087  .0131  .0263  .0027  .0061  .0076
O6   1.11246  .57942  .20749 .01328  .0068  .0151  .0145  .0059  .0026  .0005
O7    .88130  .74610  .16579 .01709  .0158  .0225  .0234  .0134  .0089  .0152
O8   1.04219  .78277  .44056 .01758  .0116  .0238  .0112  .0086  .0019 -.0009
O9    .46703  .67452  .13524 .01323  .0102  .0151  .0108  .0031  .0048  .0041
O10   .37814 1.44909  .28854 .01688  .0242  .0163  .0224  .0157  .0146  .0108
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View JMOL 3-D Structure (permalink)
 
Manaksite
Download hom/manaksite.pdf
Brandao P, Rocha J, Reis M S, dos Santos A M, Jin R
 
Journal of Solid State Chemistry 182 (2009) 253-258
Magnetic properties of KNaMSi4O10 compounds (M=Mn,Fe,Cu)
Locality: synthetic
_database_code_amcsd 0019814
6.9851 8.1825 9.9747 105.700 99.507 114.577 P-1
atom      x      y       z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K     .1574 .79866  .99056 .0241  .0275  .0176  .0272  .0098  .0116  .0087
Na    .8350  .8594   .5887 .0249  .0152  .0450  .0169  .0172  .0081  .0092
Mn   .34114 .89177  .59228 .0112  .0105  .0145  .0107  .0079  .0022  .0052
Si1   .5391  .7026  .78945 .0074  .0073  .0093  .0080  .0051  .0031  .0045
Si2   .3691  .6372  .26794 .0082  .0044  .0108  .0118  .0055  .0025  .0048
Si3  -.0645  .6346  .26920 .0093  .0056  .0111  .0112  .0053  .0013  .0028
Si4   .7078  .8243 1.13160 .0084  .0088  .0117  .0063  .0063  .0020  .0039
O1    .1963  .9613   .7591 .0157   .020   .017   .015  .0118  .0087  .0072
O2    .4997  .8229   .4157 .0109  .0089   .014   .011  .0064  .0038  .0033
O3    .4655  .6747   .1352 .0138  .0102   .016   .014  .0049  .0039  .0066
O4    .6781  .8126   .9632 .0171   .021   .019   .006  .0049  .0029  .0052
O5    .2802  .5738   .7732 .0170  .0074   .018   .028  .0052  .0080   .012
O6    .5808  .8602   .7199 .0130  .0130   .015   .016  .0079  .0049  .0112
O7    .6267  .5546   .7158 .0156   .022   .016   .023  .0161  .0131   .012
O8    .1081  .5755   .2063 .0129  .0064   .015   .014  .0068  .0016  .0009
O9   -.1241  .7388   .1629 .0181   .017   .022   .024  .0131  .0075   .014
O10   .0312  .7723   .4352 .0222   .014   .031   .015  .0125  .0000   .001
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Carlosbarbosaite
 
Atencio D, Roberts A C, Cooper M A, Menezes L A D, Coutinho J M V,
Stirling J A R, Venance K E, Ball N A, Moffatt E, Chaves M L S C,
Brandao P R G, Romano A W
 
Mineralogical Magazine 76 (2012) 75-90
Carlosbarbosaite, ideally (UO2)2Nb2O6(OH)2*2H2O, a new hydrated uranyl
niobate mineral with tunnels from Jaguaracu, Minas Gerais, Brazil:
description and crystal structure
Locality: Jaguaracu, Minas Gerais, Brazil
_database_code_amcsd 0018664
14.150 10.395 7.529 90 90 90 Cmcm
atom      x      y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
U    .26634 .27203    .25 .72 .0343  .0279  .0507  .0244 -.0115      0      0
Nb   .38296     .5      0 .40 .0281  .0133  .0443  .0267      0      0 -.0001
Ta   .38296     .5      0 .26 .0281  .0133  .0443  .0267      0      0 -.0001
Si   .38296     .5      0 .13 .0281  .0133  .0443  .0267      0      0 -.0001
Ti   .38296     .5      0 .11 .0281  .0133  .0443  .0267      0      0 -.0001
Al   .38296     .5      0 .05 .0281  .0133  .0443  .0267      0      0 -.0001
Fe   .38296     .5      0 .05 .0281  .0133  .0443  .0267      0      0 -.0001
Ca       .5  .0127    .25 .28  .057   .055   .051   .066      0      0      0
Nd       .5  .0127    .25 .02  .057   .055   .051   .066      0      0      0
Ce       .5  .0127    .25 .02  .057   .055   .051   .066      0      0      0
O(1)  .3622  .1709    .25      .061   .097   .062   .023  -.047      0      0
O(2)  .1633  .3780    .25      .047   .048   .058   .035  -.000      0      0
O(3)  .3020  .3571 -.0398      .035   .026   .052   .027  -.015  -.003   .008
O(4)  .3758  .4471    .25      .026   .022   .042   .015  -.001      0      0
OH       .5  .6106  .0547      .033   .027   .051   .022      0      0   .003
Wat      .5   .126  -.022      .096    .12    .10   .075      0      0  -.001
Download AMC data (View Text File)
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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: 4
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