|
Thortveitite |
 |
Bianchi R, Pilati T, Diella V, Gamaccioli C M, Mannucci G |
 |
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
|
| |
|
Thortveitite |
|
Bianchi R, Pilati T, Diella V, Gamaccioli C M, Mannucci G |
|
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 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Thortveitite |
|
Bianchi R, Pilati T, Diella V, Gamaccioli C M, Mannucci G |
|
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Thortveitite |
|
Bianchi R, Pilati T, Diella V, Gamaccioli C M, Mannucci G |
|
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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View JMOL 3-D Structure
|
| |
|
Zincochromite |
|
Levy D, Diella V, Pavese A, Dapiaggi M, Sani A |
|
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Zincochromite |
|
Levy D, Diella V, Pavese A, Dapiaggi M, Sani A |
|
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Zincochromite |
|
Levy D, Diella V, Pavese A, Dapiaggi M, Sani A |
|
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Zincochromite |
|
Levy D, Diella V, Pavese A, Dapiaggi M, Sani A |
|
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
|
| |
|
Zincochromite |
|
Levy D, Diella V, Pavese A, Dapiaggi M, Sani A |
|
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
|
| |
|
Zincochromite |
|
Levy D, Diella V, Pavese A, Dapiaggi M, Sani A |
|
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
|
| |
|
Zincochromite |
|
Levy D, Diella V, Pavese A, Dapiaggi M, Sani A |
|
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
|
| |
|
Zincochromite |
|
Levy D, Diella V, Pavese A, Dapiaggi M, Sani A |
|
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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View JMOL 3-D Structure
|
| |
|
Zincochromite |
|
Levy D, Diella V, Pavese A, Dapiaggi M, Sani A |
|
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)
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View JMOL 3-D Structure
|
| |
|
Zincochromite |
|
Levy D, Diella V, Pavese A, Dapiaggi M, Sani A |
|
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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View JMOL 3-D Structure
|
| |
|
Zincochromite |
|
Levy D, Diella V, Pavese A, Dapiaggi M, Sani A |
|
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Londonite |
|
Gatta G D, Vignola P, McIntyre G J, Diella V |
| |
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Londonite |
|
Gatta G D, Vignola P, McIntyre G J, Diella V |
| |
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Gadolinite-(Y) |
|
Demartin F, Pilati T, Diella V, Gentile P, Gramaccioli C M |
|
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Gadolinite-(Y) |
|
Demartin F, Pilati T, Diella V, Gentile P, Gramaccioli C M |
|
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Gadolinite-(Y) |
|
Demartin F, Pilati T, Diella V, Gentile P, Gramaccioli C M |
|
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 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Gadolinite-(Y) |
|
Demartin F, Pilati T, Diella V, Gentile P, Gramaccioli C M |
|
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 |
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B .4595 .4142 .3356 .09 .005 .004 .006 .0000 .0014 .0002 |
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Fe 0 0 0 .76 .0067 .0104 .0068 .0018 .0007 .0005 |
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Si .5189 .27818 .07832 .0057 .0051 .0062 -.0002 .0007 .0001 |
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O1 .7608 .4130 .0308 .0085 .0085 .0099 .0016 .0013 -.0020 |
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O2 .3249 .2863 .4514 .0079 .0083 .0072 .0019 -.0011 -.0004 |
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O3 .3081 .3475 .1954 .0065 .0116 .0069 -.0022 .0013 .0025 |
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O4 .6851 .1071 .1427 .0093 .0053 .0111 .0010 -.0012 .0015 |
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O5 .7967 .4124 .3325 .0059 .0122 .0111 -.0006 .0012 .0001 |
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Gadolinite-(Y) |
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Demartin F, Pilati T, Diella V, Gentile P, Gramaccioli C M |
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The Canadian Mineralogist 31 (1993) 127-136 |
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A crystal-chemical investigation of alpine gadolinite |
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Locality: "Bosco", Val Vigezzo, Italy |
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Sample: 8 |
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Note: structure from ICSD |
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_database_code_amcsd 0005290 |
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4.743 7.518 9.933 90 90.52 90 P2_1/c |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Y .99942 .10771 .32927 .87 .00341 .00356 .00345 -.00045 -.00033 -.00021 |
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Dy .99942 .10771 .32927 .065 .00341 .00356 .00345 -.00045 -.00033 -.00021 |
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Ca .99942 .10771 .32927 .065 .00341 .00356 .00345 -.00045 -.00033 -.00021 |
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Be .4610 .4138 .3358 .88 .004 .005 .0057 .0004 .0004 .0002 |
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B .4610 .4138 .3358 .12 .004 .005 .0057 .0004 .0004 .0002 |
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Fe 0 0 0 .82 .0039 .0051 .0041 .0012 .0003 .0006 |
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Si .5187 .27884 .07826 .0027 .0025 .0034 .0000 .0003 .0000 |
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O1 .7606 .4138 .0303 .0050 .0048 .0068 .0015 .0004 -.0018 |
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O2 .3234 .2868 .4513 .0043 .0055 .0059 .0022 -.0010 -.0011 |
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O3 .3071 .3469 .1954 .0059 .0072 .0054 -.0017 .0013 .0014 |
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O4 .6858 .1073 .1429 .0051 .0046 .0073 .0006 -.0006 .0007 |
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O5 .7960 .4125 .3324 .0044 .0081 .0066 -.0009 .0005 .0002 |
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Gadolinite-(Y) |
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Demartin F, Pilati T, Diella V, Gentile P, Gramaccioli C M |
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The Canadian Mineralogist 31 (1993) 127-136 |
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A crystal-chemical investigation of alpine gadolinite |
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Locality: Monte Bassetta, Val Vigezzo, Italy |
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Sample: 9 |
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Note: structure from ICSD |
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_database_code_amcsd 0005291 |
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4.757 7.553 9.970 90 90.50 90 P2_1/c |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Y .99938 .10743 .32947 .75 .00796 .00769 .00762 -.00081 -.00036 -.00019 |
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Dy .99938 .10743 .32947 .23 .00796 .00769 .00762 -.00081 -.00036 -.00019 |
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Ca .99938 .10743 .32947 .02 .00796 .00769 .00762 -.00081 -.00036 -.00019 |
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Be .4595 .4138 .3352 .91 .006 .006 .004 .001 .0007 .000 |
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B .4595 .4138 .3352 .09 .006 .006 .004 .001 .0007 .000 |
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Fe 0 0 0 .78 .0079 .0129 .0077 .0022 .0004 .0004 |
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Si .5190 .27853 .07821 .0077 .0064 .0075 -.0003 .0007 -.0003 |
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O1 .7610 .4135 .0304 .0097 .0091 .0117 .0026 .0001 -.0028 |
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O2 .3244 .2868 .4512 .0088 .0096 .0087 .0032 -.0015 -.0011 |
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O3 .3074 .3475 .1951 .0086 .0123 .0086 -.0021 .0012 .0019 |
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O4 .6864 .1068 .1427 .0105 .0068 .0115 .0010 -.0017 .0014 |
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O5 .7960 .4127 .3321 .0081 .0134 .0118 -.0008 .0014 -.0008 |
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Gadolinite-(Y) |
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Demartin F, Pilati T, Diella V, Gentile P, Gramaccioli C M |
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The Canadian Mineralogist 31 (1993) 127-136 |
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A crystal-chemical investigation of alpine gadolinite |
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Locality: Glogstafelberg, Val Formazza, Italy |
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Sample: 10 |
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Note: structure from ICSD |
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_database_code_amcsd 0005292 |
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4.752 7.629 9.894 90 90.24 90 P2_1/c |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Y .00074 .11045 .33186 .5 .00558 .00571 .00563 -.00072 .00013 -.00014 |
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Gd .00074 .11045 .33186 .36 .00558 .00571 .00563 -.00072 .00013 -.00014 |
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Ca .00074 .11045 .33186 .14 .00558 .00571 .00563 -.00072 .00013 -.00014 |
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Be .4445 .4157 .3376 .72 .009 .008 .009 .000 .000 .000 |
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B .4445 .4157 .3376 .28 .009 .008 .009 .000 .000 .000 |
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Fe 0 0 0 .22 .008 .009 .008 -.001 .001 -.002 |
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Si .5189 .2754 .08016 .0067 .0062 .0056 -.0001 .0009 -.0002 |
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O1 .7595 .4112 .0338 .0078 .0095 .0116 .0020 -.0001 -.0010 |
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O2 .3271 .2872 .4522 .0103 .0124 .0087 .0026 -.0022 -.0001 |
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O3 .3046 .3457 .1967 .0094 .0137 .0076 .0002 .0009 .0032 |
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O4 .6839 .1081 .1465 .013 .0089 .0128 .0014 -.0002 .0010 |
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O5 .7855 .4123 .3328 .0080 .015 .0099 -.0012 -.0007 -.0004 |
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Mckelveyite-(Y) |
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Demartin F, Gramaccioli C M, Campostrini I, Diella V |
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The Canadian Mineralogist 46 (2008) 195-203 |
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The crystal structure of mckelveyite-(Y)-2M, a new monoclinic polytype from |
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Val Malenco, Italian Alps |
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Locality: "Cava Fabi," talc quarry near Lanzada, Val Malenco, Lombardy, Italy |
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_database_code_amcsd 0006180 |
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15.8213 9.1364 13.7522 90 112.44 90 Cc |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Na .1646 -.0834 -.0068 .018 .021 .012 .023 -.000 .010 .001 |
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Ba1 .06707 .07929 .19538 .93 .0089 .0084 .0077 .0111 -.0001 .0043 -.0003 |
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Sr1 .06707 .07929 .19538 .07 .0089 .0084 .0077 .0111 -.0001 .0043 -.0003 |
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Ba2 -.10600 .58255 .19136 .93 .0100 .0101 .0092 .0112 .0003 .0046 -.0007 |
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Sr2 -.10600 .58255 .19136 .07 .0100 .0101 .0092 .0112 .0003 .0046 -.0007 |
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Ba3 .23060 .58870 .18838 .93 .0124 .0112 .0115 .0153 -.0008 .0059 -.0007 |
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Sr3 .23060 .58870 .18838 .07 .0124 .0112 .0115 .0153 -.0008 .0059 -.0007 |
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Ca -.16659 -.08353 -.0044 .83 .0165 .0173 .0167 .0160 .0009 .0070 .0005 |
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NaCa -.16659 -.08353 -.0044 .07 .0165 .0173 .0167 .0160 .0009 .0070 .0005 |
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SrCa -.16659 -.08353 -.0044 .10 .0165 .0173 .0167 .0160 .0009 .0070 .0005 |
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Y 0 .41563 0 .74 .0068 .0061 .0061 .0088 -.0001 .0033 -.0001 |
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CeY 0 .41563 0 .13 .0068 .0061 .0061 .0088 -.0001 .0033 -.0001 |
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CaY 0 .41563 0 .12 .0068 .0061 .0061 .0088 -.0001 .0033 -.0001 |
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C1 .0387 -.2510 .1166 .014 |
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C2 .2053 .2559 .1164 .011 |
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C3 -.1264 .2531 .1174 .012 |
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C4 .0126 .1476 -.0991 .015 |
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C5 .0784 .6198 -.0978 .014 |
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C6 -.1899 .4833 -.0984 .014 |
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O11 -.0320 -.1849 .1164 .014 .009 .013 .022 .008 .006 .001 |
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O12 .1048 -.1844 .1119 .015 .016 .008 .026 -.002 .012 .003 |
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O13 .0425 -.3951 .1288 .012 .015 .005 .019 .002 .009 -.002 |
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O21 .2033 .1135 .1086 .016 .018 .007 .026 -.001 .011 -.003 |
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O22 .1388 .3243 .1265 .011 .007 .011 .015 .005 .002 .004 |
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O23 .2754 .3257 .1208 .013 .013 .007 .022 -.001 .009 .003 |
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O31 -.1253 .1086 .1176 .014 .018 .005 .023 .001 .013 .000 |
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O32 -.0546 .3215 .1242 .010 .013 .006 .013 .000 .007 .002 |
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O33 -.1956 .3197 .1152 .016 .011 .010 .032 .008 .012 .005 |
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O41 .0271 .2765 -.1328 .018 .018 .013 .026 .001 .012 .000 |
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O42 -.0163 .1482 -.0238 .019 .027 .022 .012 .002 .011 -.002 |
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O43 .0263 .0294 -.1399 .020 .026 .017 .021 .001 .012 -.004 |
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O51 .1292 .5399 -.0242 .018 .017 .020 .018 .000 .007 .008 |
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O52 -.0099 .5954 -.1309 .019 .015 .018 .027 .000 .009 .004 |
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O53 .1100 .7210 -.1379 .021 .021 .020 .022 -.004 .010 .005 |
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O61 -.1377 .5629 -.0233 .021 .015 .026 .021 .000 .005 -.006 |
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O62 -.1506 .3792 -.1315 .019 .013 .021 .024 -.001 .009 -.004 |
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O63 -.2764 .5017 -.1385 .022 .011 .025 .026 .003 .004 -.003 |
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Wat1 -.1062 -.1522 -.1350 .020 .018 .021 .022 .004 .009 .001 |
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Wat2 -.2303 .1071 -.1335 .021 .018 .019 .024 .002 .005 .003 |
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Wat3 -.2976 -.2077 -.1330 .021 .016 .024 .022 -.002 .007 -.003 |
|
|
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|
| |
|
Schiavinatoite |
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Demartin F, Diella V, Gramaccioli C M, Pezzotta F |
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European Journal of Mineralogy 13 (2001) 159-165 |
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Schiavinatoite, (Nb,Ta)BO4, the Nb analogue of behierite |
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_database_code_amcsd 0006854 |
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6.219 6.219 5.487 90 90 90 I4_1/amd |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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NbM 0 0 0 .52 .257 .00328 .00328 .00322 0 0 0 |
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TaM 0 0 0 .48 .257 .00328 .00328 .00322 0 0 0 |
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B 0 0 .5 .44 .006 .006 .006 0 0 0 |
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O 0 .1792 .3239 .38 .0075 .0026 .0041 0 0 .0004 |
|
|
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View JMOL 3-D Structure
|
| |
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