American Mineralogist Crystal Structure Database

7 matching records for this search.

Elbaite
Download hom/elbaite.pdf
Diego Gatta G, Danisi R M, Adamo I, Meven M, Diella V
 
Physics and Chemistry of Minerals 39 (2012) 577-588
A single-crystal neutron and X-ray diffraction study of elbaite
Note: X-ray data
Locality: pegmatite dikes near Sao Jose da Safira, Minas Gerais, Brazil
_database_code_amcsd 0019363
15.8560 15.8560 7.1079 90 90 120 R3m
atom      x       y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3) U(2,3)
NaX       0       0  .2333 .73 .0246  .0282  .0282  .0175  .0141       0      0
CaX       0       0  .2333 .06 .0246  .0282  .0282  .0175  .0141       0      0
AlY  .12272  .06136 .63228 .41 .0091  .0093  .0076  .0109 .00465  -.0024 -.0012
LiY  .12272  .06136 .63228 .34 .0091  .0093  .0076  .0109 .00465  -.0024 -.0012
FeY  .12272  .06136 .63228 .14 .0091  .0093  .0076  .0109 .00465  -.0024 -.0012
MnY  .12272  .06136 .63228 .06 .0091  .0093  .0076  .0109 .00465  -.0024 -.0012
MgY  .12272  .06136 .63228 .02 .0091  .0093  .0076  .0109 .00465  -.0024 -.0012
AlZ  .29709  .26031 .61080     .0056  .0063  .0072  .0038  .0038   .0001  .0004
B    .10909  .21818 .45467     .0073  .0083  .0079  .0056 .00395 -.00035 -.0007
SiT  .19190  .18989 .00069     .0051  .0056  .0052  .0044  .0027  -.0001 -.0004
H      .264    .132   .372      .050
F1        0       0  .7821 .54  .042   .055   .055   .014  .0275       0      0
OH1       0       0  .7821 .46  .042   .055   .055   .014  .0275       0      0
O2   .06066  .12132 .48774     .0161  .0229  .0075  .0130 .00375 -.00015 -.0003
O3   .26594  .13297 .50893     .0122  .0258  .0113  .0045  .0129  -.0004 -.0002
O4   .09363  .18726 .07303     .0090  .0076  .0136  .0077  .0068 -.00045 -.0009
O5   .18717 .093585 .09526     .0090  .0146  .0076  .0072  .0073   .0019  .0095
O6   .19591  .18565 .77581     .0079  .0081  .0094  .0051  .0035   .0001 -.0007
O7   .28620  .28612 .07969     .0073  .0071  .0069  .0057  .0020   .0004 -.0009
O8   .20954  .27020 .44055     .0082  .0072  .0106  .0077  .0052   .0006  .0027
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Elbaite
Download hom/elbaite.pdf
Diego Gatta G, Danisi R M, Adamo I, Meven M, Diella V
 
Physics and Chemistry of Minerals 39 (2012) 577-588
A single-crystal neutron and X-ray diffraction study of elbaite
Note: neutron data
Locality: pegmatite dikes near Sao Jose da Safira, Minas Gerais, Brazil
_database_code_amcsd 0019364
15.8560 15.8560 7.1079 90 90 120 R3m
atom      x      y     z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
NaX       0      0 .2356 .73  .018
CaX       0      0 .2356 .06  .018
AlY   .1245 .06225 .6310 .41  .004
LiY   .1245 .06225 .6310 .34  .004
FeY   .1245 .06225 .6310 .14  .004
MnY   .1245 .06225 .6310 .06  .004
MgY   .1245 .06225 .6310 .02  .004
AlZ   .2973  .2601 .6117     .0043
B    .10929 .21858 .4541     .0042
SiT   .1918  .1900 .0004     .0021
H     .2624  .1312 .3734      .024   .041   .026   .012  .0205   .002   .001
F1        0      0 .7829 .54  .053   .074   .074   .011  .0352      0      0
OH1       0      0 .7829 .46  .053   .074   .074   .011  .0352      0      0
O2    .0606  .1212 .4843     .0140   .020   .005   .012  .0025  .0005   .001
O3    .2690  .1345 .5084     .0082
O4   .09298 .18596 .0726     .0071
O5    .1866  .0933 .0946     .0069
O6    .1964  .1861 .7756     .0044
O7    .2862  .2858 .0799     .0041
O8    .2100  .2710 .4414     .0051
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Pezzottaite
 
Gatta D G, Adamo I, Meven M, Lambruschi E
 
Physics and Chemistry of Minerals 39 (2012) 829-840
A single-crystal neutron and X-ray diffraction of pezzottaite
Note: X-ray data, T = 298 K
Locality: Sakavalana pegmatite, Ambatovita, Madagascar
_database_code_amcsd 0020677
15.9615 15.9615 27.8568 90 90 120 R-3c
atom       x       y       z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cs1        0       0 -.08208 .694 .0223  .0239  .0239  .0190  .0120      0      0
Cs2        0       0     .25 .764 .0294  .0338  .0338  .0209  .0169      0      0
Na1        0       0       0 .198  .003
Na2        0       0  -.1625 .083  .003
Be    .33791  .17045  .08404      .0083   .009   .009   .008   .005   .001  -.001
Li     .5031   .5031     .75      .0074   .006   .006   .006   .001   .001   .001
Al1      2/3  .00046    1/12      .0053  .0050  .0057  .0048  .0025  .0001  .0001
Al2  -.00541     1/3    1/12      .0047  .0053  .0037  .0046  .0019  .0001  .0001
Si1   .04509  .21954 -.00098      .0045  .0042  .0037  .0052  .0018  .0004  .0001
Si2   .21989  .05039  .16545      .0040  .0032  .0035  .0048  .0013 -.0002  .0001
Si3   .04999 -.17009  .16639      .0042  .0040  .0042  .0048  .0022 -.0006 -.0003
O1    .27627  .06425  .21526      .0104  .0118  .0101  .0072  .0040 -.0035  .0012
O2    .07013  .28069 -.05060      .0101  .0093  .0097  .0095  .0035 -.0005  .0039
O3    .06050 -.22828  .12297      .0148  .0174  .0199  .0121  .0132 -.0049 -.0093
O4    .28879  .07412  .11922      .0094  .0104  .0093  .0083  .0047  .0045  .0006
O5    .05203  .28245  .04471      .0134  .0167  .0083  .0116  .0035  .0052 -.0027
O6    .06834 -.20446  .21767      .0100  .0059  .0134  .0089  .0036  .0010  .0049
O7   -.05907  .12006 -.00504      .0116  .0064  .0077  .0192  .0025  .0012 -.0002
O8   -.05343 -.17373  .16592      .0112  .0060  .0112  .0173  .0049 -.0007  .0015
O9    .12653 -.05597  .16037      .0124  .0076  .0054  .0213  .0011 -.0009  .0015
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Pezzottaite
 
Gatta D G, Adamo I, Meven M, Lambruschi E
 
Physics and Chemistry of Minerals 39 (2012) 829-840
A single-crystal neutron and X-ray diffraction of pezzottaite
Note: Neutron data, T = 2.3 K
Locality: Sakavalana pegmatite, Ambatovita, Madagascar
_database_code_amcsd 0020678
15.95 15.95 27.86 90 90 120 R-3c
atom       x       y       z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cs1        0       0  -.0820  .95 .0077  .0076  .0076   .008  .0038      0      0
Cs2        0       0     .25  .98 .0103   .011   .011  .0092  .0054      0      0
Na1        0       0       0  .19  .006
Na2        0       0  -.1612  .12  .006
Be1    .3383   .1706  .08428 .965 .0038
Li1    .3383   .1706  .08428 .035 .0038
Li2   .50362  .50362     .75 .852 .0038
Be2   .50362  .50362     .75 .148 .0038
Al1      2/3   .0001    1/12      .0018
Al2   -.0073     1/3    1/12      .0018
Si1    .0452   .2198  -.0008      .0016
Si2    .2192   .0502   .1647      .0015
Si3    .0503  -.1704   .1667      .0019
O1     .2763   .0643  .21556      .0016
O2     .0707   .2803 -.05097      .0017
O3     .0608  -.2301  .12359      .0056
O4     .2912   .0761  .11939      .0042
O5     .0493   .2826  .04384      .0045
O6     .0686  -.2023  .21810      .0038
O7    -.0591   .1197 -.00610      .0053
O8    -.0533  -.1730  .16554      .0036
O9     .1275  -.0557  .15937      .0044
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Beryl
Download hom/beryl.pdf
Adamo I, Gatta G D, Rotiroti N, Diella V, Pavese A
 
Mineralogical Magazine 72 (2008) 799-808
Gemmological investigation of a synthetic blue beryl: a multi-methodological study
Note: Sample: M2-1
Locality: synthetic
_database_code_amcsd 0019164
9.2502 9.2502 9.2184 90 90 120 P6/mcc
atom      x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Be       .5      0    .25 .953 .0088  .0126   .005   .006  .0025      0      0
Cu       .5      0    .25 .047 .0088  .0126   .005   .006  .0025      0      0
Al      2/3    1/3    .25 .942 .0055  .0061  .0061  .0042  .0031      0      0
Fe      2/3    1/3    .25 .058 .0055  .0061  .0061  .0042  .0031      0      0
Si   .38706 .11623      0      .0057  .0060  .0061  .0054  .0033      0      0
O1   .30799 .23577      0      .0130  .0120  .0108   .019  .0077      0      0
O2   .49789 .14549 .14496      .0104  .0128  .0107  .0094  .0071 -.0039 -.0026
Wat       0      0    .25  .44   .08
LiM       0      0      0  .12   .07
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Beryl
Download hom/beryl.pdf
Adamo I, Gatta G D, Rotiroti N, Diella V, Pavese A
 
Mineralogical Magazine 72 (2008) 799-808
Gemmological investigation of a synthetic blue beryl: a multi-methodological study
Note: Sample: M2-2
Locality: synthetic
_database_code_amcsd 0019165
9.2489 9.2489 9.2211 90 90 120 P6/mcc
atom      x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Be       .5      0    .25 .952 .0097   .012   .006  .0082  .0032      0      0
Cu       .5      0    .25 .048 .0097   .012   .006  .0082  .0032      0      0
Al      2/3    1/3    .25 .941 .0059  .0062  .0062  .0053  .0031      0      0
Fe      2/3    1/3    .25 .059 .0059  .0062  .0062  .0053  .0031      0      0
Si   .38706 .11627      0      .0063  .0064  .0060  .0067  .0033      0      0
O1   .30768 .23559      0      .0137  .0139  .0119  .0194  .0095      0      0
O2   .49762 .14536 .14492      .0112  .0135  .0120  .0102  .0079 -.0047 -.0030
Wat       0      0    .25  .49   .09
LiM       0      0      0  .12   .05
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Beryl
Download hom/beryl.pdf
Adamo I, Gatta G D, Rotiroti N, Diella V, Pavese A
 
Mineralogical Magazine 72 (2008) 799-808
Gemmological investigation of a synthetic blue beryl: a multi-methodological study
Note: Sample: M2-3
Locality: synthetic
_database_code_amcsd 0019166
9.2483 9.2483 9.2193 90 90 120 P6/mcc
atom      x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Be       .5      0    .25 .943 .0098   .014   .006   .007  .0030      0      0
Cu       .5      0    .25 .057 .0098   .014   .006   .007  .0030      0      0
Al      2/3    1/3    .25 .946 .0058  .0064  .0064  .0046  .0032      0      0
Fe      2/3    1/3    .25 .054 .0058  .0064  .0064  .0046  .0032      0      0
Si   .38708 .11635      0      .0064  .0063  .0061  .0070  .0033      0      0
O1   .30732 .23550      0      .0140  .0149  .0114  .0193  .0093      0      0
O2   .49793 .14567 .14483      .0117  .0141  .0117  .0113  .0079  -.004 -.0030
Wat       0      0    .25  .48   .09
LiM       0      0      0  .12   .09
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: 7
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