American Mineralogist Crystal Structure Database

33 matching records for this search.

Thortveitite
Download hom/thortveitite.pdf
Bianchi R, Pilati T, Diella V, Gamaccioli C M, Mannucci G
Download am/vol73/AM73_601.pdf
American Mineralogist 73 (1988) 601-607
A re-examination of thortveitite
Sample 1 from Iveland
_database_code_amcsd 0001160
6.650 8.616 4.686 90 102.20 90 C2/m
atom      x      y       z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Sc        0 .30503      .5 .56  .0074  .0082  .0082      0  .0003      0
Y         0 .30503      .5 .44  .0074  .0082  .0082      0  .0003      0
Si   .22108      0 -.08762 .98  .0079  .0086  .0056      0 -.0007      0
Al   .22108      0 -.08762 .02  .0079  .0086  .0056      0 -.0007      0
O1        0      0       0      .0075  .0777  .0426      0  .0083      0
O2   .38654      0  .22171      .0095  .0106  .0062      0 -.0016      0
O3   .23655 .15499 -.28174      .0262  .0086  .0095  .0023  .0022  .0021
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View JMOL 3-D Structure (permalink)
 
Thortveitite
Download hom/thortveitite.pdf
Bianchi R, Pilati T, Diella V, Gamaccioli C M, Mannucci G
Download am/vol73/AM73_601.pdf
American Mineralogist 73 (1988) 601-607
A re-examination of thortveitite
Sample 2 from Setesdalen
_database_code_amcsd 0001161
6.587 8.547 4.695 90 102.65 90 C2/m
atom      x      y       z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Sc        0 .30670      .5 .69  .0087  .0088  .0109      0  .0007      0
Y         0 .30670      .5 .31  .0087  .0088  .0109      0  .0007      0
Si   .22179      0 -.08941 .98  .0094  .0101  .0082      0  .0001      0
Al   .22179      0 -.08941 .02  .0094  .0101  .0082      0  .0001      0
O1        0      0       0      .0116  .0706  .0416      0  .0117      0
O2   .38887      0  .22133      .0114  .0113  .0086      0  .0000      0
O3   .23544 .15622 -.28405      .0231  .0103  .0127  .0028  .0034  .0021
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Thortveitite
Download hom/thortveitite.pdf
Bianchi R, Pilati T, Diella V, Gamaccioli C M, Mannucci G
Download am/vol73/AM73_601.pdf
American Mineralogist 73 (1988) 601-607
A re-examination of thortveitite
Sample 3 from Flat, Evje
_database_code_amcsd 0001162
6.582 8.555 4.693 90 102.59 90 C2/m
atom      x      y       z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Sc        0 .30666      .5 .80  .0075  .0074  .0084      0  .0006      0
Y         0 .30666      .5 .20  .0075  .0074  .0084      0  .0006      0
Si   .22221      0 -.08977 .98  .0087  .0085  .0063      0 -.0002      0
Al   .22211      0 -.08977 .02  .0087  .0085  .0063      0 -.0002      0
O1        0      0       0      .0141  .0557  .0328      0  .0086      0
O2   .38959      0  .22099      .0099  .0097  .0070      0 -.0012      0
O3   .23522 .15615 -.28407      .0208  .0091  .0104  .0022  .0046  .0022
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Thortveitite
Download hom/thortveitite.pdf
Bianchi R, Pilati T, Diella V, Gamaccioli C M, Mannucci G
Download am/vol73/AM73_601.pdf
American Mineralogist 73 (1988) 601-607
A re-examination of thortveitite
Sample 4 from Malagasy Republic
_database_code_amcsd 0001163
6.527 8.507 4.691 90 102.78 90 C2/m
atom      x      y       z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Sc        0 .30881      .5 .92  .0051  .0054  .0068      0  .0005      0
Y         0 .30881      .5 .08  .0051  .0054  .0068      0  .0005      0
Si   .22319      0 -.09105 .98  .0051  .0063  .0048      0  .0003      0
Al   .22319      0 -.09105 .02  .0051  .0063  .0048      0  .0003      0
O1        0      0       0      .0074  .0369  .0224      0  .0074      0
O2   .39182      0  .22124      .0075  .0074  .0055      0 -.0009      0
O3   .23532 .15709 -.28576      .0112  .0074  .0084  .0022  .0024  .0024
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Zincochromite
Download hom/zincochromite.pdf
Levy D, Diella V, Pavese A, Dapiaggi M, Sani A
Download am/vol90/AM90_1157.pdf
American Mineralogist 90 (2005) 1157-1162
P-V equation of state, thermal expansion, and P-T stability of
synthetic zincochromite (ZnCr2O4 spinel)
Sample: T = 298 K
_database_code_amcsd 0003801
8.3291 8.3291 8.3291 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  Uiso
Zn     .125   .125   .125 .0079
Cr       .5     .5     .5 .0077
O     .2666  .2666  .2666 .0083
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View JMOL 3-D Structure (permalink)
 
Zincochromite
Download hom/zincochromite.pdf
Levy D, Diella V, Pavese A, Dapiaggi M, Sani A
Download am/vol90/AM90_1157.pdf
American Mineralogist 90 (2005) 1157-1162
P-V equation of state, thermal expansion, and P-T stability of
synthetic zincochromite (ZnCr2O4 spinel)
Sample: T = 393 K
_database_code_amcsd 0003802
8.3330 8.3330 8.3330 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  Uiso
Zn     .125   .125   .125 .0093
Cr       .5     .5     .5 .0096
O     .2666  .2666  .2666 .0100
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Zincochromite
Download hom/zincochromite.pdf
Levy D, Diella V, Pavese A, Dapiaggi M, Sani A
Download am/vol90/AM90_1157.pdf
American Mineralogist 90 (2005) 1157-1162
P-V equation of state, thermal expansion, and P-T stability of
synthetic zincochromite (ZnCr2O4 spinel)
Sample: T = 463 K
_database_code_amcsd 0003803
8.3391 8.3391 8.3391 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  Uiso
Zn     .125   .125   .125 .0097
Cr       .5     .5     .5 .0097
O     .2662  .2662  .2662 .0101
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View JMOL 3-D Structure (permalink)
 
Zincochromite
Download hom/zincochromite.pdf
Levy D, Diella V, Pavese A, Dapiaggi M, Sani A
Download am/vol90/AM90_1157.pdf
American Mineralogist 90 (2005) 1157-1162
P-V equation of state, thermal expansion, and P-T stability of
synthetic zincochromite (ZnCr2O4 spinel)
Sample: T = 613 K
_database_code_amcsd 0003804
8.3456 8.3456 8.3456 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  Uiso
Zn     .125   .125   .125 .0099
Cr       .5     .5     .5 .0096
O     .2665  .2665  .2665 .0098
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Zincochromite
Download hom/zincochromite.pdf
Levy D, Diella V, Pavese A, Dapiaggi M, Sani A
Download am/vol90/AM90_1157.pdf
American Mineralogist 90 (2005) 1157-1162
P-V equation of state, thermal expansion, and P-T stability of
synthetic zincochromite (ZnCr2O4 spinel)
Sample: T = 702 K
_database_code_amcsd 0003805
8.3519 8.3519 8.3519 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  Uiso
Zn     .125   .125   .125 .0102
Cr       .5     .5     .5 .0099
O     .2648  .2648  .2648 .0102
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Zincochromite
Download hom/zincochromite.pdf
Levy D, Diella V, Pavese A, Dapiaggi M, Sani A
Download am/vol90/AM90_1157.pdf
American Mineralogist 90 (2005) 1157-1162
P-V equation of state, thermal expansion, and P-T stability of
synthetic zincochromite (ZnCr2O4 spinel)
Sample: T = 788 K
_database_code_amcsd 0003806
8.3588 8.3588 8.3588 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  Uiso
Zn     .125   .125   .125 .0103
Cr       .5     .5     .5 .0101
O     .2642  .2642  .2642 .0109
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Zincochromite
Download hom/zincochromite.pdf
Levy D, Diella V, Pavese A, Dapiaggi M, Sani A
Download am/vol90/AM90_1157.pdf
American Mineralogist 90 (2005) 1157-1162
P-V equation of state, thermal expansion, and P-T stability of
synthetic zincochromite (ZnCr2O4 spinel)
Sample: T = 901 K
_database_code_amcsd 0003807
8.3654 8.3654 8.3654 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  Uiso
Zn     .125   .125   .125 .0105
Cr       .5     .5     .5 .0103
O     .2669  .2669  .2669 .0107
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Zincochromite
Download hom/zincochromite.pdf
Levy D, Diella V, Pavese A, Dapiaggi M, Sani A
Download am/vol90/AM90_1157.pdf
American Mineralogist 90 (2005) 1157-1162
P-V equation of state, thermal expansion, and P-T stability of
synthetic zincochromite (ZnCr2O4 spinel)
Sample: T = 994 K
_database_code_amcsd 0003808
8.3716 8.3716 8.3716 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  Uiso
Zn     .125   .125   .125 .0109
Cr       .5     .5     .5 .0102
O     .2648  .2648  .2648 .0109
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Zincochromite
Download hom/zincochromite.pdf
Levy D, Diella V, Pavese A, Dapiaggi M, Sani A
Download am/vol90/AM90_1157.pdf
American Mineralogist 90 (2005) 1157-1162
P-V equation of state, thermal expansion, and P-T stability of
synthetic zincochromite (ZnCr2O4 spinel)
Sample: T = 1072 K
_database_code_amcsd 0003809
8.3777 8.3777 8.3777 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  Uiso
Zn     .125   .125   .125 .0111
Cr       .5     .5     .5 .0105
O     .2675  .2675  .2675 .0111
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Zincochromite
Download hom/zincochromite.pdf
Levy D, Diella V, Pavese A, Dapiaggi M, Sani A
Download am/vol90/AM90_1157.pdf
American Mineralogist 90 (2005) 1157-1162
P-V equation of state, thermal expansion, and P-T stability of
synthetic zincochromite (ZnCr2O4 spinel)
Sample: T = 1162 K
_database_code_amcsd 0003810
8.3834 8.3834 8.3834 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  Uiso
Zn     .125   .125   .125 .0112
Cr       .5     .5     .5 .0105
O     .2676  .2676  .2676 .0108
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Zincochromite
Download hom/zincochromite.pdf
Levy D, Diella V, Pavese A, Dapiaggi M, Sani A
Download am/vol90/AM90_1157.pdf
American Mineralogist 90 (2005) 1157-1162
P-V equation of state, thermal expansion, and P-T stability of
synthetic zincochromite (ZnCr2O4 spinel)
Sample: T = 1236 K
_database_code_amcsd 0003811
8.3880 8.3880 8.3880 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  Uiso
Zn     .125   .125   .125 .0117
Cr       .5     .5     .5 .0106
O     .2650  .2650  .2650 .0106
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View JMOL 3-D Structure (permalink)
 
Londonite
Download hom/londonite.pdf
Gatta G D, Vignola P, McIntyre G J, Diella V
Download am/vol95/AM95_1467.pdf
American Mineralogist 95 (2010) 1467-1472
On the crystal chemistry of londonite [(Cs,K,Rb)Al4Be5B11O28]:
a single-crystal neutron diffraction study at 300 and 20 K
Locality: Antsongombato Gem mine, Betafo district, Madagascar
Note: neutron diffraction study at T = 300 K
_database_code_amcsd 0017717
7.3098 7.3098 7.3098 90 90 90 P-43m
atom      x      y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cs        0      0      0 .34  .023
K         0      0      0 .34  .023
Rb        0      0      0 .17  .023
Al    .3608  .3608  .3608     .0020  .0020  .0020  .0020 -.0001 -.0001 -.0001
Be1  .24835     .5      0 .12 .0028  .0031  .0030  .0022      0      0 -.0002
B1   .24835     .5      0 .88 .0028  .0031  .0030  .0022      0      0 -.0002
Be2  .25833 .74167 .25833 .97 .0036  .0036  .0036  .0036  .0001 -.0001  .0001
B2   .25833 .74167 .25833 .03 .0036  .0036  .0036  .0036  .0001 -.0001  .0001
O1   .38103 .61897 .38103     .0023  .0023  .0023  .0023  .0003 -.0003  .0003
O2   .36350 .36350 .09976     .0039  .0045  .0045  .0027  .0007  .0003  .0003
O3   .39923 .86485 .13515     .0040  .0046  .0037  .0037 -.0004  .0004  .0001
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Londonite
Download hom/londonite.pdf
Gatta G D, Vignola P, McIntyre G J, Diella V
Download am/vol95/AM95_1467.pdf
American Mineralogist 95 (2010) 1467-1472
On the crystal chemistry of londonite [(Cs,K,Rb)Al4Be5B11O28]:
a single-crystal neutron diffraction study at 300 and 20 K
Locality: Antsongombato Gem mine, Betafo district, Madagascar
Note: neutron diffraction study at T = 20 K
_database_code_amcsd 0017718
7.3094 7.3094 7.3094 90 90 90 P-43m
atom      x      y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cs        0      0      0 .34  .010
K         0      0      0 .34  .010
Rb        0      0      0 .17  .010
Al    .3603  .3603  .3603     .0012
Be1  .24846     .5      0 .12 .0012
B1   .24846     .5      0 .88 .0012
Be2  .74190 .25810 .25810 .97 .0012
B2   .74190 .25810 .25810 .03 .0012
O1   .38070 .61930 .38070     .0012
O2   .36390 .36390 .10010     .0019  .0021  .0021  .0014  .0009  .0004  .0004
O3   .39899 .86510 .13490     .0024  .0023  .0025  .0025 -.0001  .0001  .0002
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View JMOL 3-D Structure (permalink)
 
Karenwebberite
 
Vignola P, Hatert F, Fransolet A M, Mendenbach O, Diella V, Ando S
 
American Mineralogist 98 (2013) 767-772
Karenwebberite, Na(Fe2+,Mn2+)PO4, a new member of the triphylite group
from the Malpensata pegmatite, Lecco Province, Italy
Locality: the Malpensata pegmatite, Lecco Province, Italy
_database_code_amcsd 0019819
4.882 10.387 6.091 90 90 90 Pbnm
atom     x     y    z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
NaM1     0     0    0 .68  .018   .008   .025   .021   .002  -.007  -.003
FeM2 .9862 .2827  .25 .67 .0103   .017   .010   .005 -.0008      0      0
MnM2 .9862 .2827  .25 .33 .0103   .017   .010   .005 -.0008      0      0
P    .4334 .1034  .25     .0122   .017   .013   .007   .002      0      0
O1    .744  .111  .25      .019   .019   .024   .015   .006      0      0
O2    .166 .4648  .25      .020   .037   .010   .013  -.011      0      0
O3    .303 .1737 .052      .019   .026   .025   .005   .006   .000   .008
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View JMOL 3-D Structure (permalink)
 
Gadolinite-(Y)
Download hom/gadolinitey.pdf
Demartin F, Pilati T, Diella V, Gentile P, Gramaccioli C M
Download cm/vol31/CM31_127.pdf
The Canadian Mineralogist 31 (1993) 127-136
A crystal-chemical investigation of alpine gadolinite
Locality: Moos, Rauris, Austria
Sample: 2
Note: structure from ICSD
_database_code_amcsd 0005286
4.747 7.544 9.931 90 90.51 90 P2_1/c
atom      x      y      z occ U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Y    .99946 .10780 .33018 .74 .00612 .00600 .00550 -.00075 -.00013 -.00029
Dy   .99946 .10780 .33018 .19 .00612 .00600 .00550 -.00075 -.00013 -.00029
Ca   .99946 .10780 .33018 .07 .00612 .00600 .00550 -.00075 -.00013 -.00029
Be    .4567  .4151  .3359 .82   .006   .005   .006   .0010   .0012   .0000
B     .4567  .4151  .3359 .18   .006   .005   .006   .0010   .0012   .0000
Fe        0      0      0 .66  .0065  .0083  .0059   .0014   .0005  -.0004
Si    .5196  .2781 .07868      .0055  .0046  .0052  -.0003   .0005  -.0005
O1    .7603  .4127  .0307      .0071  .0091  .0090   .0008   .0005  -.0029
O2    .3245  .2870  .4513      .0085  .0083  .0068   .0027  -.0013   .0002
O3    .3064  .3468  .1958      .0080  .0104  .0062  -.0022   .0006   .0014
O4    .6865  .1072  .1437      .0094  .0060  .0090   .0004  -.0009   .0012
O5    .7944  .4116  .3324      .0069  .0113  .0087  -.0010   .0001   .0001
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Gadolinite-(Y)
Download hom/gadolinitey.pdf
Demartin F, Pilati T, Diella V, Gentile P, Gramaccioli C M
Download cm/vol31/CM31_127.pdf
The Canadian Mineralogist 31 (1993) 127-136
A crystal-chemical investigation of alpine gadolinite
Locality: Beura, Ossola, Italy
Sample: 3
Note: structure from ICSD
_database_code_amcsd 0005287
4.743 7.568 9.900 90 90.41 90 P2_1/c
atom      x      y      z occ U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Y    .00019 .10751 .33146 .69 .00710 .00715 .00644 -.00076 -.00007 -.00036
Dy   .00019 .10751 .33146  .2 .00710 .00715 .00644 -.00076 -.00007 -.00036
Ca   .00019 .10751 .33146 .11 .00710 .00715 .00644 -.00076 -.00007 -.00036
Be    .4509  .4144  .3364 .68   .006   .007   .005    .001    .001   -.001
B     .4509  .4144  .3364 .32   .006   .007   .005    .001    .001   -.001
Fe        0      0      0  .5  .0067  .0090  .0080   .0014   .0005   .0001
Si    .5200  .2762 .07938      .0063  .0055  .0059  -.0002   .0004   .0001
O1    .7604  .4119  .0319      .0081  .0101  .0110   .0003   .0004  -.0023
O2    .3250  .2886  .4519      .0113  .0103  .0087   .0021  -.0022  -.0004
O3    .3070  .3458  .1972      .0095  .0126  .0076  -.0006   .0018   .0027
O4    .6864  .1054  .1448      .0113  .0081  .0111   .0006  -.0016   .0032
O5    .7876  .4118  .3326      .0080  .0129  .0101  -.0014   .0002  -.0002
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View JMOL 3-D Structure (permalink)
 
Gadolinite-(Y)
Download hom/gadolinitey.pdf
Demartin F, Pilati T, Diella V, Gentile P, Gramaccioli C M
Download cm/vol31/CM31_127.pdf
The Canadian Mineralogist 31 (1993) 127-136
A crystal-chemical investigation of alpine gadolinite
Locality: Val Nalps, Switzerland
Sample: 6
Note: structure from ICSD
_database_code_amcsd 0005288
4.746 7.562 9.903 90 90.48 90 P2_1/c
atom      x      y      z occ U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Y    .00027 .10773 .33093 .71 .00677 .00668 .00639 -.00085 -.00008 -.00021
Dy   .00027 .10773 .33093 .14 .00677 .00668 .00639 -.00085 -.00008 -.00021
Ca   .00027 .10773 .33093 .15 .00677 .00668 .00639 -.00085 -.00008 -.00021
Be    .4534  .4144  .3362 .67   .005   .006   .005    .001    .000    .000
B     .4534  .4144  .3362 .33   .005   .006   .005    .001    .000    .000
Fe        0      0      0 .54  .0076  .0094  .0072   .0007   .0005  -.0002
Si    .5205  .2763 .07928      .0061  .0050  .0059  -.0004   .0005  -.0001
O1    .7599  .4117  .0317      .0085  .0080  .0110   .0006   .0006  -.0022
O2    .3250  .2879  .4514      .0108  .0093  .0078   .0010  -.0015  -.0010
O3    .3074  .3459  .1967      .0089  .0118  .0082  -.0011   .0027   .0022
O4    .6848  .1053  .1444      .0113  .0066  .0106   .0003  -.0015   .0031
O5    .7893  .4116  .3322      .0083  .0137  .0095  -.0016   .0005  -.0002
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Gadolinite-(Y)
Download hom/gadolinitey.pdf
Demartin F, Pilati T, Diella V, Gentile P, Gramaccioli C M
Download cm/vol31/CM31_127.pdf
The Canadian Mineralogist 31 (1993) 127-136
A crystal-chemical investigation of alpine gadolinite
Locality: "Strada", Val Vigezzo, Italy
Sample: 7
Note: structure from ICSD
_database_code_amcsd 0005289
4.759 7.564 9.968 90 90.43 90 P2_1/c
atom      x      y      z occ U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Y    .99974 .10810 .32924 .79 .00629 .00670 .00682 -.00088 -.00036 -.00030
Dy   .99974 .10810 .32924 .18 .00629 .00670 .00682 -.00088 -.00036 -.00030
Ca   .99974 .10810 .32924 .03 .00629 .00670 .00682 -.00088 -.00036 -.00030
Be    .4595  .4142  .3356 .91   .005   .004   .006   .0000   .0014   .0002
B     .4595  .4142  .3356 .09   .005   .004   .006   .0000   .0014   .0002
Fe        0      0      0 .76  .0067  .0104  .0068   .0018   .0007   .0005
Si    .5189 .27818 .07832      .0057  .0051  .0062  -.0002   .0007   .0001
O1    .7608  .4130  .0308      .0085  .0085  .0099   .0016   .0013  -.0020
O2    .3249  .2863  .4514      .0079  .0083  .0072   .0019  -.0011  -.0004
O3    .3081  .3475  .1954      .0065  .0116  .0069  -.0022   .0013   .0025
O4    .6851  .1071  .1427      .0093  .0053  .0111   .0010  -.0012   .0015
O5    .7967  .4124  .3325      .0059  .0122  .0111  -.0006   .0012   .0001
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Gadolinite-(Y)
Download hom/gadolinitey.pdf
Demartin F, Pilati T, Diella V, Gentile P, Gramaccioli C M
Download cm/vol31/CM31_127.pdf
The Canadian Mineralogist 31 (1993) 127-136
A crystal-chemical investigation of alpine gadolinite
Locality: "Bosco", Val Vigezzo, Italy
Sample: 8
Note: structure from ICSD
_database_code_amcsd 0005290
4.743 7.518 9.933 90 90.52 90 P2_1/c
atom      x      y      z  occ U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Y    .99942 .10771 .32927  .87 .00341 .00356 .00345 -.00045 -.00033 -.00021
Dy   .99942 .10771 .32927 .065 .00341 .00356 .00345 -.00045 -.00033 -.00021
Ca   .99942 .10771 .32927 .065 .00341 .00356 .00345 -.00045 -.00033 -.00021
Be    .4610  .4138  .3358  .88   .004   .005  .0057   .0004   .0004   .0002
B     .4610  .4138  .3358  .12   .004   .005  .0057   .0004   .0004   .0002
Fe        0      0      0  .82  .0039  .0051  .0041   .0012   .0003   .0006
Si    .5187 .27884 .07826       .0027  .0025  .0034   .0000   .0003   .0000
O1    .7606  .4138  .0303       .0050  .0048  .0068   .0015   .0004  -.0018
O2    .3234  .2868  .4513       .0043  .0055  .0059   .0022  -.0010  -.0011
O3    .3071  .3469  .1954       .0059  .0072  .0054  -.0017   .0013   .0014
O4    .6858  .1073  .1429       .0051  .0046  .0073   .0006  -.0006   .0007
O5    .7960  .4125  .3324       .0044  .0081  .0066  -.0009   .0005   .0002
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Gadolinite-(Y)
Download hom/gadolinitey.pdf
Demartin F, Pilati T, Diella V, Gentile P, Gramaccioli C M
Download cm/vol31/CM31_127.pdf
The Canadian Mineralogist 31 (1993) 127-136
A crystal-chemical investigation of alpine gadolinite
Locality: Monte Bassetta, Val Vigezzo, Italy
Sample: 9
Note: structure from ICSD
_database_code_amcsd 0005291
4.757 7.553 9.970 90 90.50 90 P2_1/c
atom      x      y      z occ U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Y    .99938 .10743 .32947 .75 .00796 .00769 .00762 -.00081 -.00036 -.00019
Dy   .99938 .10743 .32947 .23 .00796 .00769 .00762 -.00081 -.00036 -.00019
Ca   .99938 .10743 .32947 .02 .00796 .00769 .00762 -.00081 -.00036 -.00019
Be    .4595  .4138  .3352 .91   .006   .006   .004    .001   .0007    .000
B     .4595  .4138  .3352 .09   .006   .006   .004    .001   .0007    .000
Fe        0      0      0 .78  .0079  .0129  .0077   .0022   .0004   .0004
Si    .5190 .27853 .07821      .0077  .0064  .0075  -.0003   .0007  -.0003
O1    .7610  .4135  .0304      .0097  .0091  .0117   .0026   .0001  -.0028
O2    .3244  .2868  .4512      .0088  .0096  .0087   .0032  -.0015  -.0011
O3    .3074  .3475  .1951      .0086  .0123  .0086  -.0021   .0012   .0019
O4    .6864  .1068  .1427      .0105  .0068  .0115   .0010  -.0017   .0014
O5    .7960  .4127  .3321      .0081  .0134  .0118  -.0008   .0014  -.0008
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Gadolinite-(Y)
Download hom/gadolinitey.pdf
Demartin F, Pilati T, Diella V, Gentile P, Gramaccioli C M
Download cm/vol31/CM31_127.pdf
The Canadian Mineralogist 31 (1993) 127-136
A crystal-chemical investigation of alpine gadolinite
Locality: Glogstafelberg, Val Formazza, Italy
Sample: 10
Note: structure from ICSD
_database_code_amcsd 0005292
4.752 7.629 9.894 90 90.24 90 P2_1/c
atom      x      y      z occ U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Y    .00074 .11045 .33186  .5 .00558 .00571 .00563 -.00072  .00013 -.00014
Gd   .00074 .11045 .33186 .36 .00558 .00571 .00563 -.00072  .00013 -.00014
Ca   .00074 .11045 .33186 .14 .00558 .00571 .00563 -.00072  .00013 -.00014
Be    .4445  .4157  .3376 .72   .009   .008   .009    .000    .000    .000
B     .4445  .4157  .3376 .28   .009   .008   .009    .000    .000    .000
Fe        0      0      0 .22   .008   .009   .008   -.001    .001   -.002
Si    .5189  .2754 .08016      .0067  .0062  .0056  -.0001   .0009  -.0002
O1    .7595  .4112  .0338      .0078  .0095  .0116   .0020  -.0001  -.0010
O2    .3271  .2872  .4522      .0103  .0124  .0087   .0026  -.0022  -.0001
O3    .3046  .3457  .1967      .0094  .0137  .0076   .0002   .0009   .0032
O4    .6839  .1081  .1465       .013  .0089  .0128   .0014  -.0002   .0010
O5    .7855  .4123  .3328      .0080   .015  .0099  -.0012  -.0007  -.0004
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Mckelveyite-(Y)
Download hom/mckelveyitey.pdf
Demartin F, Gramaccioli C M, Campostrini I, Diella V
Download cm/vol46/CM46_195.pdf
The Canadian Mineralogist 46 (2008) 195-203
The crystal structure of mckelveyite-(Y)-2M, a new monoclinic polytype from
Val Malenco, Italian Alps
Locality: "Cava Fabi," talc quarry near Lanzada, Val Malenco, Lombardy, Italy
_database_code_amcsd 0006180
15.8213 9.1364 13.7522 90 112.44 90 Cc
atom       x       y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na     .1646  -.0834 -.0068      .018   .021   .012   .023  -.000   .010   .001
Ba1   .06707  .07929 .19538 .93 .0089  .0084  .0077  .0111 -.0001  .0043 -.0003
Sr1   .06707  .07929 .19538 .07 .0089  .0084  .0077  .0111 -.0001  .0043 -.0003
Ba2  -.10600  .58255 .19136 .93 .0100  .0101  .0092  .0112  .0003  .0046 -.0007
Sr2  -.10600  .58255 .19136 .07 .0100  .0101  .0092  .0112  .0003  .0046 -.0007
Ba3   .23060  .58870 .18838 .93 .0124  .0112  .0115  .0153 -.0008  .0059 -.0007
Sr3   .23060  .58870 .18838 .07 .0124  .0112  .0115  .0153 -.0008  .0059 -.0007
Ca   -.16659 -.08353 -.0044 .83 .0165  .0173  .0167  .0160  .0009  .0070  .0005
NaCa -.16659 -.08353 -.0044 .07 .0165  .0173  .0167  .0160  .0009  .0070  .0005
SrCa -.16659 -.08353 -.0044 .10 .0165  .0173  .0167  .0160  .0009  .0070  .0005
Y          0  .41563      0 .74 .0068  .0061  .0061  .0088 -.0001  .0033 -.0001
CeY        0  .41563      0 .13 .0068  .0061  .0061  .0088 -.0001  .0033 -.0001
CaY        0  .41563      0 .12 .0068  .0061  .0061  .0088 -.0001  .0033 -.0001
C1     .0387  -.2510  .1166      .014
C2     .2053   .2559  .1164      .011
C3    -.1264   .2531  .1174      .012
C4     .0126   .1476 -.0991      .015
C5     .0784   .6198 -.0978      .014
C6    -.1899   .4833 -.0984      .014
O11   -.0320  -.1849  .1164      .014   .009   .013   .022   .008   .006   .001
O12    .1048  -.1844  .1119      .015   .016   .008   .026  -.002   .012   .003
O13    .0425  -.3951  .1288      .012   .015   .005   .019   .002   .009  -.002
O21    .2033   .1135  .1086      .016   .018   .007   .026  -.001   .011  -.003
O22    .1388   .3243  .1265      .011   .007   .011   .015   .005   .002   .004
O23    .2754   .3257  .1208      .013   .013   .007   .022  -.001   .009   .003
O31   -.1253   .1086  .1176      .014   .018   .005   .023   .001   .013   .000
O32   -.0546   .3215  .1242      .010   .013   .006   .013   .000   .007   .002
O33   -.1956   .3197  .1152      .016   .011   .010   .032   .008   .012   .005
O41    .0271   .2765 -.1328      .018   .018   .013   .026   .001   .012   .000
O42   -.0163   .1482 -.0238      .019   .027   .022   .012   .002   .011  -.002
O43    .0263   .0294 -.1399      .020   .026   .017   .021   .001   .012  -.004
O51    .1292   .5399 -.0242      .018   .017   .020   .018   .000   .007   .008
O52   -.0099   .5954 -.1309      .019   .015   .018   .027   .000   .009   .004
O53    .1100   .7210 -.1379      .021   .021   .020   .022  -.004   .010   .005
O61   -.1377   .5629 -.0233      .021   .015   .026   .021   .000   .005  -.006
O62   -.1506   .3792 -.1315      .019   .013   .021   .024  -.001   .009  -.004
O63   -.2764   .5017 -.1385      .022   .011   .025   .026   .003   .004  -.003
Wat1  -.1062  -.1522 -.1350      .020   .018   .021   .022   .004   .009   .001
Wat2  -.2303   .1071 -.1335      .021   .018   .019   .024   .002   .005   .003
Wat3  -.2976  -.2077 -.1330      .021   .016   .024   .022  -.002   .007  -.003
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Schiavinatoite
Download hom/schiavinatoite.pdf
Demartin F, Diella V, Gramaccioli C M, Pezzotta F
 
European Journal of Mineralogy 13 (2001) 159-165
Schiavinatoite, (Nb,Ta)BO4, the Nb analogue of behierite
_database_code_amcsd 0006854
6.219 6.219 5.487 90 90 90 I4_1/amd
atom x     y     z  occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
NbM  0     0     0  .52 .257 .00328 .00328 .00322      0      0      0
TaM  0     0     0  .48 .257 .00328 .00328 .00322      0      0      0
B    0     0    .5       .44   .006   .006   .006      0      0      0
O    0 .1792 .3239       .38  .0075  .0026  .0041      0      0  .0004
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Chukhrovite-(Ca)
 
Vignola P, Hatert F, Bersani D, Diella V, Gentile P, Risplendente A
 
European Journal of Mineralogy 24 (2012) 1069-1076
Chukhrovite-(Ca), Ca4.5Al2(SO4)F13*12H2O, a new mineral species from
the Val Cavallizza Pb-Zn-(Ag) mine, Cuasso al Monte, Varese province, Italy
Locality: Val Cavallizza mine, Cuasso al Monte, Varese province, Italy
_database_code_amcsd 0019596
16.749 16.749 16.749 90 90 90 *Fd3
.125 .125 .125
atom      x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca1  .29285 .29285 .29285      .0205  .0205  .0205  .0205 -.0019 -.0019 -.0019
Ca2   -.125   .375  .6030 .055  .052    .06   .041    .06  -.004      0      0
Na2   -.125   .375  .6030 .020  .052    .06   .041    .06  -.004      0      0
Fe2   -.125   .375  .6030 .005  .052    .06   .041    .06  -.004      0      0
Al       .5     .5     .5      .0174  .0174  .0174  .0174 -.0031 -.0031 -.0031
S      .125   .125   .125      .0269  .0269  .0269  .0269      0      0      0
F1     .375   .375   .375       .017   .017   .017   .017      0      0      0
F2    .2197  .3400  .4494      .0290   .030   .024   .033 -.0031 -.0021  .0104
O     .0740  .0740  .0740       .031   .031   .031   .031  -.002  -.002  -.002
Owat  .1556  .2436  .3071      .0401   .034   .055   .031  -.018  -.002   .002
H1     .132   .213   .276        .08
H2     .151   .213   .350        .09
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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: 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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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
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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
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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
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Total number of retrieved datasets: 33
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