American Mineralogist Crystal Structure Database

7 matching records for this search.

Sr[(UO2)3(SeO3)2O2].4H2O
 
Almond P M, Albrecht-Schmitt T E
 
American Mineralogist 89 (2004) 976-980
Hydrothermal synthesis and crystal chemistry of the new strontium uranyl selenites,
Sr[(UO2)3(SeO3)2O2].4H2O and Sr[(UO2)(SeO3)2].2H2O
17.014 7.0637 7.1084 90 100.544 90 C2/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)
U(1)         0       0      0      .0091   .010   .005   .013      0   .003      0
U(2)   -.10866      .5 .95299      .0095   .009   .005   .015      0   .003      0
Sr           0  -.3221     .5  .5  .0095   .013   .006   .009      0   .001      0
Se      .20653       0 .11359      .0111   .009   .007   .017      0   .003      0
O(1)     .1372   .1707  .0594       .031   .015   .007   .066   .000  -.006  -.011
O(2)     .2509       0  .9211       .024   .010   .049   .015      0   .003      0
O(3)         0  -.3158      0       .033   .010   .003   .084      0      0      0
O(4)     .0007       0  .7440       .027   .016   .046   .020      0   .005      0
O(5)    -.1067      .5  .2099       .027   .009   .044   .027      0   .004      0
O(6)    -.1110      .5  .6961       .024   .014   .045   .014      0   .004      0
Wat(7)  -.1454   -.138   .433  .5   .026   .017   .036   .021   .015  -.007      0
Wat(8)  -.2127   -.235   .470  .5   .029   .037   .008   .040   .005   .004   .001
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Sr[(UO2)(SeO3)2].2H2O
 
Almond P M, Albrecht-Schmitt T E
 
American Mineralogist 89 (2004) 976-980
Hydrothermal synthesis and crystal chemistry of the new strontium uranyl selenites,
Sr[(UO2)3(SeO3)2O2].4H2O and Sr[(UO2)(SeO3)2].2H2O
5.6722 6.7627 11.2622 104.698 93.708 109.489 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)
U      .16771  .25930 .16256 .00956   .013   .008   .007   .003   .002   .002
Sr     .66515  .25268 .44132 .01025   .011   .008   .011   .003   .002   .004
Se(1)  .72939  .69349 .34103  .0104   .012   .009   .011   .004   .003   .004
Se(2)  .30283 -.19130 .12469  .0113   .016   .010   .010   .006   .003   .003
O(1)    .4421   .4831  .3429  .0112   .010   .006   .012   .000   .002  -.002
O(2)    .9238   .6234  .4242  .0162   .012   .014   .026   .004   .001   .012
O(3)    .6827   .8965  .4413  .0165   .018   .012   .019   .005   .006   .004
O(4)    .3209   .0194  .2498  .0117   .016   .007   .009   .005   .000  -.002
O(5)    .0974  -.1320  .0322  .0170   .027   .011   .012   .006  -.005   .004
O(6)    .1163  -.4148  .1576  .0162   .025   .011   .013   .009   .001   .003
O(7)   -.0973   .1893  .2405  .0130   .012   .011   .012   .002   .002   .000
O(8)    .4347   .3326  .0898  .0143   .014   .018   .008   .004   .008   .000
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
9Al2O3.2B2O3
 
Garsche M, Tillmanns E, Almen H, Schneider H, Kupcik V
 
European Journal of Mineralogy 3 (1991) 793-808
Incorporation of chromium into aluminium borate
9Al2O3.2B2O3 (A9B2)
Sample: Rietveld refinement of AgB2
7.6942 15.0110 5.6689 90 90 90 A2_1am
atom     x     y     z occ Biso
B     .722 .0256     0      .33
Al1     .5 .3825 .2455 .98  .35
B1      .5 .3825 .2455 .02  .35
Al2  .6886 .2445    .5 .98  .41
B2   .6886 .2445    .5 .02  .41
Al3  .6830 .0554    .5 .98  .37
B3   .6830 .0554    .5 .02  .37
Al4  .8337 .2955     0 .98  .37
B4   .8337 .2955     0 .02  .37
O1   .7853 .0504 .2116      .58
O2   .7013 .3056 .2447      .48
O3   .5367 .1517    .5      .53
O4   .9357 .1910     0      .40
O5   .8753 .1711    .5      .57
O6   .5721 .4573     0      .57
O7   .5927 .4523    .5      .43
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Aluminium Borate
 
Garsche M, Tillmanns E, Almen H, Schneider H, Kupcik V
 
European Journal of Mineralogy 3 (1991) 793-808
Incorporation of chromium into aluminium borate
9Al2O3*2B2O3 (A9B2)
Sample: Single crystal structure refinement of AgB2+Cr
7.71 15.07 5.70 90 90 90 A2_1am
atom    x     y     z occ Biso
B    .726 .0160     0      .66
Al1    .5 .3837 .2481 .90  .45
Cr1    .5 .3837 .2481 .08  .45
B1     .5 .3837 .2481 .02  .45
Al2 .6877 .2447    .5      .62
Al3 .6849 .0563    .5      .33
Al4 .8353 .2970     0      .38
O1   .785 .0483  .211      .78
O2   .705 .3100  .244      .65
O3   .537 .1495    .5      .78
O4   .937 .1926     0      .68
O5   .869 .1702    .5      .74
O6   .573 .4554     0      .48
O7   .599 .4537    .5      .64
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Cs2ThSi6O15
 
Woodward J D, Almond P M, Albrecht-Schmitt T E
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=1600-5368&volume=61&spage=58
Acta Crystallographica E61 (2005) i58-i60
Caesium thorium silicate, Cs2ThSi6O15
16.2920 7.2154 13.6800 90 90 90 Pca2_1
atom       x      y       z   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cs1   .03198 .75571 -.00043 .02933  .0380  .0273  .0227  .0086  .0041  .0056
Cs2   .14389 .77550  .31009  .0408  .0656  .0282  .0286  .0175 -.0135 -.0032
Th   .120087 .28758  .14972 .00868 .00769 .01052 .00783 .00003 .00036  .0000
Si1  -.07690  .4530   .2215  .0107  .0111  .0102  .0109 -.0002 -.0003 -.0002
Si2  -.05602  .0359   .2288  .0096  .0115  .0077  .0096 -.0033  .0005  .0014
Si3   .30808  .0139   .0747  .0105  .0109  .0088  .0119  .0033  .0002 -.0024
Si4   .28295  .5810   .0713  .0098  .0100  .0085  .0110 -.0034  .0001  .0018
Si5   .10902  .2496  -.1180  .0084  .0071  .0088  .0095 -.0006 -.0026 -.0001
Si6   .20396  .2806   .4061  .0105  .0101  .0127  .0087  .0021 -.0007 -.0008
O1     .0114  .4873   .1780  .0161   .018   .006   .024   .003   .002   .002
O2    -.0913  .5668   .3204  .0242   .036   .024   .013   .002   .003  -.005
O3    -.1472  .5028   .1422  .0225   .021   .010   .036  -.001  -.012  -.001
O4    -.0905  .2404   .2565  .0141   .018   .003   .021  -.002   .005  -.001
O5     .0351  .0403   .1879  .0117   .012   .007   .017   .000   .002   .005
O6    -.1169 -.0562   .1503  .0185   .017   .015   .023  -.003  -.009   .000
O7     .2227  .0851   .1157  .0202   .021   .024   .015   .008   .000  -.005
O8     .3054 -.2048   .0471  .0137   .011   .008   .022   .002   .002  -.003
O9     .3365  .1214  -.0249  .0155   .020   .012   .014   .003  -.001   .005
O10    .1938  .5557   .1177  .0177   .008   .020   .025  -.003   .000   .000
O11    .0782  .2725  -.0085  .0192   .020   .027   .010   .000  -.002  -.001
O12    .0593  .0836  -.1699  .0147   .014   .018   .012  -.003  -.001  -.004
O13    .1470  .3113   .3123  .0213   .027   .030   .007   .003   .000   .004
O14    .2938  .2023   .3765  .0188   .007   .031   .018   .002   .001  -.001
O15    .2108  .4746   .4667  .0184   .024   .011   .020  -.002   .000  -.001
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Barytocalcite
Download hom/barytocalcite.pdf
Alm K F
 
Arkiv for Mineralogi och Geologi 2 (1960) 399-410
The crystal structure of barytocalcite BaCa(CO3)2
8.15 5.22 6.58 90 106.13 90 P2_1
atom    x    y    z
Ba   .142 .250 .283
Ca   .383 .734 .800
C1   .083 .205 .770
C2   .358 .740 .299
O1   .012 .150 .893
O2   .105 .444 .697
O3   .133 .020 .639
O4   .287 .680 .422
O5   .379 .974 .226
O6   .407 .550 .168
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Cu(HCOO)2*4H2O
 
Okada K, Kay M I, Cromer D T, Almodovar I
 
Journal of Chemical Physics 44 (1966) 1648-1653
Crystal structure by neutron diffraction and the antiferroelectric phase
transition in copper formate tetrahydrate
8.15 8.18 6.35 90 101.083 90 P2_1/a
atom   x     y     z occ Biso
Cu     0     0     0     1.02
C   .237  .269  .024     1.04
OF1 .205 -.092 -.080     1.27
OF2 .116  .213  .088     1.34
Ow1 .430  .401  .641     1.94
Ow2 .089  .357  .482     2.59
HF  .207  .692  .071      4.2
H1  .311  .385  .592 .75  3.3
H2  .481  .296  .592 .75  3.6
H3  .473  .462  .518  .5  3.9
H4  .084  .320  .339      3.7
H5  .029  .475  .480  .5  4.7
H6  .195  .431  .585 .25  3.7
H7  .040  .269  .533 .25  0.9
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Download in:

Multiple datasets can be concatenated into a single downloadable file by selecting the datasets and then hitting the "Download Selected Data" button.

Total number of retrieved datasets: 7
View in amc, download in amc


Return to AMCSD Home Page