American Mineralogist Crystal Structure Database

4 matching records for this search.

(C2N2H10)8Sc8(ScO2)4(PO4)4(HPO4)12*12H2O
 
Bull I, Young V, Teat S J, Peng L, Grey C P, Parise J B
 
Chemistry of Materials 15 (2003) 3818-3825
Hydrothermal synthesis and structural characterization of four scandium
phosphate frameworks
_database_code_amcsd 0012217
8.603 15.476 16.504 90 96.877 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)
Sc1  .63355 .79805 .16364 .01278  .0122  .0157  .0107   .0006  .0023  -.0010
Sc2  .49585 .89323 .52210 .01201  .0133  .0117  .0112   .0004  .0020   .0004
Sc3  .02152 .76914 .29943 .01356  .0120  .0177  .0111  -.0003  .0022  -.0005
P1   .22760 .76200 .13355  .0147  .0120  .0189  .0135  -.0028  .0023  -.0019
P2   .26411 .71634 .47600  .0133  .0116  .0167  .0116  -.0005  .0018  -.0007
P3   .81649 .60698 .19758  .0140  .0152  .0139  .0133  -.0004  .0034   .0003
P4   .66826 .79002 .37165  .0151  .0140  .0200  .0119   .0010  .0039  -.0012
O1    .3708 .99391 .45826  .0052  .0038  .0041  .0070  -.0010 -.0019   .0006
O2    .6035 .86154 .42101  .0209  .0259  .0214  .0168   .0034  .0077  -.0030
O3    .3147 .81082 .48960  .0194  .0201  .0172  .0206  -.0058  .0010   .0001
O4    .5880 .79072 .28426  .0225  .0172  .0366  .0140   .0018  .0035  -.0017
O5    .6605 .81028 .04101  .0194  .0204  .0228  .0162   .0049  .0069   .0019
O6    .4075 .92627 .63045  .0209  .0243  .0219  .0176  -.0038  .0073  -.0008
O7    .6546 .81416 .58558  .0243  .0278  .0209  .0226   .0067 -.0032   .0045
O8    .8462 .79337 .37542  .0215  .0152  .0342  .0157  -.0015  .0039  -.0033
O9    .1036 .88146 .33821  .0136  .0123  .0100  .0192  -.0052  .0048  -.0023
O10   .8665 .81877 .20413  .0097  .0038  .0171  .0079  -.0014 -.0003   .0043
O11   .5942 .92567 .17168  .0134  .0168  .0078  .0151   .0035 -.0001  -.0036
O12   .9246 .64688 .26745  .0212  .0226  .0200  .0198  -.0012 -.0025  -.0035
O13   .1684 .70545 .39177  .0196  .0236  .0202  .0141  -.0004 -.0015   .0000
O14   .4025  .7650 .12961  .0244  .0130  .0404  .0201  -.0042  .0034  -.0039
O15   .4091 .65773 .48163  .0224  .0150  .0260  .0267   .0043  .0040   .0021
O16   .6354 .69990 .40934  .0233  .0198  .0243  .0274   .0002  .0095   .0034
O17   .6832 .66644 .16491  .0204  .0210  .0167  .0233   .0024  .0015   .0000
O18   .1930  .7606 .22181  .0254  .0177  .0430  .0166  -.0008  .0073  -.0024
O19   .1600 .84756  .0925  .0314  .0357  .0219  .0334  -.0006 -.0083   .0025
O20   .7298 .52811 .23276  .0249  .0222  .0254  .0273  -.0038  .0042   .0082
O21   .5782  .4906  .3939  .0805   .054   .068   .114   -.007  -.012    .030
N1    .3647  .9423  .2903  .0217  .0202  .0227  .0227   .0027  .0043  -.0030
N2    .4073  .6187  .2922  .0373   .037   .030   .042  -.0044 -.0080  -.0082
N3    .9038  .5948  .4442  .0380   .021   .039   .054   .0030  .0051    .021
N4    .0050  .8790  .5096  .0288   .036  .0222  .0270   .0032 -.0008  -.0010
C1    .4204  .9803 -.0006  .0257   .024   .025   .028   .0008  .0062  -.0014
C2    .2841  .0002  .2278  .0264   .025   .031   .023  -.0005  .0038   .0022
C3    .1683  .0552  .2670  .0314   .040   .025   .029   .0115  .0033   .0014
C4    .0092  .0292  .4644  .0251   .033   .024   .020    .007   .007    .002
C5     .040  .0300  .5231   .043   .054   .032   .041    .013  -.007    .004
H1A   .4241  .9735  .3273    .06
H1B   .4247  .9053  .2668    .07
H1C    .294  .9131  .3146   .022
H2A   .3341  .6492  .3132    .11
H2B   .4674   .654  .2669    .07
H2C    .466   .591  .3321    .17
H3A   .8074  .6162  .4424   .046
H3B   .9211  .5785  .3943    .08
H3C    .973  .6352  .4624   .057
H5A   .4046  .9623  .0541   .027
H5B   .3411   .023 -.0186   .047
H6A   .2297  .9664  .1837   .021
H6B   .3598  .0368  .2054   .048
H7A    .089  .0184  .2861   .043
H7B   .2221  .0854  .3136   .062
H16   .5453  .6987  .4209    .08
H19   .0755  .8375  .0656   .046
H20   .7945  .4956  .2573    .06
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
(C2N2H10)2Sc4(HPO4)8
 
Bull I, Young V, Teat S J, Peng L, Grey C P, Parise J B
 
Chemistry of Materials 15 (2003) 3818-3825
Hydrothermal synthesis and structural characterization of four scandium
phosphate frameworks
_database_code_amcsd 0012218
9.4111 9.1066 9.6950 90 117.272 90 P2/n
atom       x       y       z   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
Sc1     -.25  .39364     .25 .00416  .0049  .0037  .0036       0 .00165       0
Sc2      .25  .11746     .25 .00395  .0052  .0033  .0034       0 .00192       0
P1   -.16828  .10162  .06395 .00476  .0054  .0045  .0043  .00008 .00219 -.00100
P2    .35592  .34309  .02725 .00506  .0052  .0050  .0045 -.00018 .00182  .00054
O1   -.26632  .22278  .09113  .0084  .0086  .0082  .0081   .0014  .0036  -.0029
O2   -.25286  .05986 -.10818  .0072  .0093  .0070  .0042   .0003  .0022  -.0022
O3   -.15941 -.03650  .16485  .0099  .0134  .0083  .0088  -.0018  .0056   .0016
O4    .00394  .14504  .11785  .0088  .0059  .0104  .0100  -.0010  .0034  -.0014
O5    .25602  .26612  .09126  .0082  .0093  .0083  .0081  -.0008  .0049   .0036
O6    .41231  .22249 -.05687  .0122  .0082  .0135  .0141   .0001  .0045  -.0064
O7    .50552  .41304  .15275  .0079  .0065  .0087  .0073  -.0010  .0021  -.0017
O8    .24952  .44982 -.09639  .0097  .0081  .0104  .0091   .0007  .0026   .0051
N     -.0569   .2954  -.1931  .0113  .0087  .0118  .0129  -.0019  .0046  -.0012
C     -.1681   .4070  -.1797  .0114  .0143  .0086  .0115  -.0010  .0060  -.0017
H1A    .0158   .2661  -.0966   .017
H1B   -.0050   .3363  -.2430   .017
H1C   -.1143   .2164  -.2478   .017
H1D   -.1201   .5059  -.1674   .014
H1E   -.1804   .3858  -.0856   .014
H3A   -.2509  -.0737   .1320   .012
H6A    .5111   .2086  -.0049   .015
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Sc4(HPO4)8*4(H3O)
 
Bull I, Young V, Teat S J, Peng L, Grey C P, Parise J B
 
Chemistry of Materials 15 (2003) 3818-3825
Hydrothermal synthesis and structural characterization of four scandium
phosphate frameworks
_database_code_amcsd 0012219
5.3048 8.8230 14.779 90 95.685 90 P2_1/c
atom      x      y      z   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
Sc   .23980 .46362 .35060 .00502  .0047  .0053  .0048  -.0003 -.0009  -.0003
P1    .7761 .66159 .44067  .0054  .0057  .0057  .0046   .0002 -.0004   .0001
O1    .5857  .5469 .40207  .0099  .0065  .0118  .0106   .0002 -.0025  -.0016
O2    .7581  .6906 .54104  .0073  .0095  .0071  .0051   .0008 -.0001   .0004
O3    .0463  .6227 .42201  .0085  .0062  .0090  .0105   .0025  .0015  -.0025
O4    .7083  .8216 .39442  .0099  .0155  .0062  .0074   .0018 -.0022   .0018
P2    .2839 .74173 .19024  .0057  .0053  .0059  .0055  -.0001 -.0012   .0007
O5    .2336  .5928 .23510  .0088  .0093  .0081  .0087  -.0016 -.0007   .0034
O6    .5555  .7973 .21704  .0072  .0047  .0089  .0076  -.0016 -.0018   .0017
O7    .0921  .8620 .20752  .0074  .0045  .0087  .0091   .0016  .0004   .0001
O8    .2618  .6992 .08477  .0082  .0096  .0081  .0065   .0016 -.0006   .0017
O9    .2222  .0011  .3882  .0347   .038   .032  .0326    .010 -.0070  -.0035
H4A   .6837  .8108  .3378   .012
H8A   .2727  .7784  .0538   .010
H9A    .242  .0931   .407   .042
H9B    .347  -.055   .410   .042
H9C    .204  -.003  .3297   .042
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Kolbeckite
Download hom/kolbeckite.pdf
Bull I, Young V, Teat S J, Peng L, Grey C P, Parise J B
 
Chemistry of Materials 15 (2003) 3818-3825
Hydrothermal synthesis and structural characterization of four scandium
phosphate frameworks
Locality: synthetic
_database_code_amcsd 0012220
5.4429 10.2513 8.9094 90 90.253 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)
Sc    .0891 .33377  .2023 .0052  .0029  .0026  .0101   .0001 -.0008   .0008
P     .0864  .3467 -.1801 .0055  .0043  .0044  .0077  -.0001 -.0014  -.0005
O2    .1165  .4948 -.1825 .0083  .0078  .0080  .0092   .0002  .0000   .0001
O3    .1068  .2950 -.0199 .0196  .0209  .0186  .0192   .0001  .0000   .0003
O4   -.1660  .3126 -.2482 .0122   .012  .0119   .013   .0004 -.0008  -.0005
O5    .2842  .2852 -.2755 .0117  .0112  .0109  .0130  -.0002  .0002  -.0004
Wat1  .3974  .4620  .2036 .0261   .025   .025   .028  -.0003  .0001  -.0003
Wat6  .0746  .3654  .4442  .030   .030   .030   .029   .0010 -.0002  -.0001
Download AMC data (View Text File)
Download CIF data (View Text File)
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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