American Mineralogist Crystal Structure Database

5 matching records for this search.

Fontanite
Download hom/fontanite.pdf
Hughes K-A, Burns P C
Download am/vol88/AM88_962.pdf
American Mineralogist 88 (2003) 962-966
A new uranyl carbonate sheet in the crystal structure of fontanite,
Ca[(UO2)3(CO3)2O2](H2O)6
_database_code_amcsd 0003131
6.968 17.276 15.377 90 90.064 90 P2_1/n
atom         x     y     z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
U(1)     .5267 .2371 .8372 .025   .011   .044   .020  -.002  -.003   .002
U(2)     .0267 .2843 .7301 .024   .011   .036   .024  -.001  -.002   .002
U(3)     .0257 .1952 .9483 .024   .010   .043   .019  -.001  -.003   .002
Ca(1)    .9410 .5174 .7848 .043   .037   .052   .039  -.001   .000   .003
C(1)     .5320 .3175 .6656 .001
C(2)     .5270 .1688 .0150 .006
O(1)     .0230 .2880 .9900 .049
O(2)     .0400 .3509 .5966 .015
O(3)     .5130 .1440 .7900 .049
Wat(4)  -.0880 .4550 .9350 .059
O(5)     .0130 .3746 .7780 .054
O(6)    -.3160 .1764 .9690 .036
O(7)     .8440 .2340 .8330 .037
O(8)     .0280 .1451 .0940 .035
O(9)     .6840 .2920 .7004 .030
O(10)    .3700 .3022 .7074 .032
O(11)    .2070 .2380 .8348 .029
O(12)    .5410 .3314 .8904 .036
O(13)    .3710 .1867 .9776 .021
O(14)    .0360 .0993 .9098 .030
Wat(15)  .7860 .6070 .8880 .041
Wat(16)  .2390 .4930 .6900 .055
Wat(17)  .2030 .5710 .8690 .062
Wat(18)  .8080 .4980 .6390 .052
Wat(19)  .5900 .4760 .7980 .082
O(20)    .0380 .1998 .6699 .033
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Studtite
Download hom/studtite.pdf
Burns P C, Hughes K-A
Download am/vol88/AM88_1165.pdf
American Mineralogist 88 (2003) 1165-1168
Studtite, [(UO2)(O2)(H2O)2](H2O)2: The first structure of a peroxide mineral
_database_code_amcsd 0003153
14.068 6.721 8.428 90 123.356 90 C2/c
atom      x     y     z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
U1        0     0     0 .0193  .0221  .0241  .0157 -.0001  .0130 -.0005
O1    .0073 -.249  .074  .031   .045   .027   .028   .000   .025  -.002
O2    .0623  .114 .3081  .028   .032   .029   .029  -.009   .021  -.008
O3    .2026  .038  .179  .039   .029   .061   .024   .001   .012  -.006
O4   -.1565 -.524  .061  .031   .030   .029   .038  -.006   .020  -.006
H1     .255   .03  .317   .03
H2     .242  -.06   .15   .03
H3    -.102  -.44   .06   .03
H4    -.131 -.662   .08   .03
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View JMOL 3-D Structure
 
Ca[(UO2)4O3(OH)4](H2O)2
 
Glatz R E, Li Y, Hughes K-A, Cahill C L, Burns P C
Download cm/vol40/CM40_217.pdf
The Canadian Mineralogist 40 (2002) 217-224
Synthesis and structure of a new Ca uranyl oxide hydrate,
Ca[(UO2)4O3(OH)4](H2O)2, and its relationship to becquerelite
_database_code_amcsd 0005768
8.0556 8.4212 10.958 78.878 87.922 72.277 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(1)   .44695  .40453 .85968 .0125  .0137  .0103  .0131 -.0034 -.0001 -.0016
U(2)   .46623 -.05465 .84821 .0118  .0128  .0108  .0120 -.0040  .0003 -.0019
U(3)   .16021  .30513 .57354 .0137  .0141  .0145  .0130 -.0058  .0005 -.0016
U(4)   .17971 -.19134 .57226 .0128  .0143  .0103  .0139 -.0038  .0005 -.0024
Ca(1)  -.0729   .0618  .8156 .0260   .015   .016   .048  -.005   .004  -.009
O(1)     .083    .584  .5531  .019   .030   .010   .018  -.011   .000  -.001
O(2)     .420    .157  .9551  .017   .027   .011   .011  -.005  -.003  -.001
O(3)     .032    .289  .7168  .019   .019   .026   .011  -.007   .004   .001
O(4)     .689   -.061  .8039  .018   .017   .017   .017  -.006   .000   .000
O(5)     .078    .096   .536  .029   .022   .012   .052  -.002  -.010  -.005
O(6)     .243   -.048  .8834  .021   .021   .013   .030  -.008  -.003  -.002
O(7)     .292   -.197  .4251  .020   .032   .023   .009  -.013   .006  -.005
O(8)     .680    .301  .8412  .019   .017   .015   .021  -.001  -.004  -.002
O(9)     .061   -.177  .7201  .023   .028   .023   .022  -.012   .011  -.009
O(10)    .222    .505  .8825  .024   .024   .017   .026  -.001   .003  -.002
O(11)    .309    .304  .4440  .026   .009   .039   .025  -.004   .001  -.002
OH(1)    .535   .6332  .9090  .014   .024   .008   .010  -.007   .000   .002
OH(2)    .405   .2309  .7105  .014   .018   .014   .012  -.010  -.010  -.001
OH(3)    .416   .5744  .6674  .018   .015   .012   .018   .001   .001   .009
OH(4)    .395   -.078  .6497  .025   .026   .032   .020  -.011   .004  -.010
Wat(1)  -.019   -.186  .9958  .027   .025   .039   .021  -.013   .002  -.009
Wat(2)   .854   -.427   .828  .031   .027   .030   .036  -.006   .005  -.009
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View JMOL 3-D Structure
 
Uranosphaerite
Download hom/uranosphaerite.pdf
Hughes K-A, Burns P C, Kolitsch U
Download cm/vol41/CM41_677.pdf
The Canadian Mineralogist 41 (2003) 677-685
Crystal structure and crystal chemistry of uranosphaerite, Bi(UO2)O2OH
Note: natural sample
Locality: Clara barite and fluorite mine, Black Forest, Germany
_database_code_amcsd 0005845
7.559 7.811 7.693 90 92.88 90 P2_1/n
atom       x      y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
U     .15866 .99182 .31567 .0135  .0139  .0169  .0100   .000  .0050 -.0002
Bi    .11052 .60575 .66482 .0162  .0164  .0197  .0129  .0004  .0036  .0001
O1      .177  .6024  .0500  .025   .027   .029   .019   .001   .001  -.001
O2    -.0077  .8842  .1786  .026   .019   .037   .021  -.002   .002  -.011
O3     .0710  .8511  .5586  .023   .028   .021   .020   .008   .014   .007
O4    -.1460  .5069  .5907  .019   .014   .022   .022  -.004   .008  -.008
OH5   -.1196  .7422  .8413  .017   .023   .016   .011   .001   .005   .001
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Uranosphaerite
Download hom/uranosphaerite.pdf
Hughes K-A, Burns P C, Kolitsch U
Download cm/vol41/CM41_677.pdf
The Canadian Mineralogist 41 (2003) 677-685
Crystal structure and crystal chemistry of uranosphaerite, Bi(UO2)O2OH
Note: synthetic sample
_database_code_amcsd 0005846
7.540 7.801 7.674 90 92.948 90 P2_1/n
atom       x       y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
U     .15796 -.00914 .31531 .0215  .0211  .0234  .0204 -.0003  .0052 -.0002
Bi    .10974  .60517 .66556 .0231  .0228  .0245  .0223  .0004  .0045  .0004
O(1)    .184    .603   .050  .032   .034   .039   .025   .005   .001   .007
O(2)   -.008    .883   .179  .032   .029   .040   .028   .004   .001  -.004
O(3)    .070    .850   .563  .027   .029   .020   .032   .001   .014   .005
O(4)   -.150    .507   .590  .030   .026   .038   .028  -.013   .009  -.011
OH(5)  -.119    .741   .840  .026   .031   .029   .018  -.002   .004   .000
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
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Total number of retrieved datasets: 5
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