American Mineralogist Crystal Structure Database

13 matching records for this search.

Pyrope
Download hom/pyrope.pdf
Oberti R, Quartieri S, Dalconi M C, Boscherini F, Iezzi G, Boiocchi M,
Eeckhout S G
Download am/vol91/AM91_1230.pdf
American Mineralogist 91 (2006) 1230-1239
Site preference and local geometry of Sc in garnets: Part I.
Multifarious mechanisms in the pyrope-grossular join
Locality: synthetic
Sample: prp
_database_code_amcsd 0004180
11.4940 11.4940 11.4940 90 90 90 Ia-3d
atom      x      y      z occ Biso B(1,1) B(2,2) B(3,3) B(1,2)  B(1,3)  B(2,3)
MgX    .125      0    .25 .90  .89 .00101 .00202 .00202      0       0  .00048
ScX    .125      0    .25 .10  .89 .00101 .00202 .00202      0       0  .00048
AlY       0      0      0      .47 .00089 .00089 .00089 .00001  .00001  .00001
SiT    .375      0    .25 .95  .40 .00073 .00077 .00077      0       0       0
MgT    .375      0    .25 .05  .40 .00073 .00077 .00077      0       0       0
O    .03290 .05061 .65349      .59 .00113 .00135 .00089 .00010 -.00015 -.00001
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Grossular
Download hom/grossular.pdf
Oberti R, Quartieri S, Dalconi M C, Boscherini F, Iezzi G, Boiocchi M,
Eeckhout S G
Download am/vol91/AM91_1230.pdf
American Mineralogist 91 (2006) 1230-1239
Site preference and local geometry of Sc in garnets: Part I.
Multifarious mechanisms in the pyrope-grossular join
Locality: synthetic
Sample: prp
_database_code_amcsd 0004181
11.8830 11.8830 11.8830 90 90 90 Ia-3d
atom      x      y      z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
CaX    .125      0    .25 .95  .51 .00064 .00104 .00104      0      0 .00023
ScX    .125      0    .25 .05  .51 .00064 .00104 .00104      0      0 .00023
AlY       0      0      0 .93  .44 .00079 .00079 .00079 .00003 .00003 .00003
ScY       0      0      0 .07  .44 .00079 .00079 .00079 .00003 .00003 .00003
SiT    .375      0    .25 .95  .61 .00096 .00115 .00115      0      0      0
ScT    .375      0    .25 .05  .61 .00096 .00115 .00115      0      0      0
O    .03803 .04587 .65194      .52 .00095 .00101 .00081 .00017 .00002 .00003
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Andradite
Download hom/andradite.pdf
Quartieri S, Oberti R, Boiocchi M, Dalconi M C, Boscherini F , Safonova O,
Woodland A B
Download am/vol91/AM91_1240.pdf
American Mineralogist 91 (2006) 1240-1248
Site preference and local geometry of Sc in garnets: Part II.
The crystal-chemistry of octahedral Sc in the andradite-Ca3Sc2Si3O12 join
Sample: adr100
_database_code_amcsd 0004182
12.0578 12.0578 12.0578 90 90 90 Ia-3d
atom      x      y      z Biso
CaX    .125      0    .25  .50
FeY       0      0      0  .35
SiZ    .375      0    .25  .27
O    .03940 .04870 .65540  .50
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Andradite
Download hom/andradite.pdf
Quartieri S, Oberti R, Boiocchi M, Dalconi M C, Boscherini F , Safonova O,
Woodland A B
Download am/vol91/AM91_1240.pdf
American Mineralogist 91 (2006) 1240-1248
Site preference and local geometry of Sc in garnets: Part II.
The crystal-chemistry of octahedral Sc in the andradite-Ca3Sc2Si3O12 join
Locality: synthetic
Sample: adr90CaSc10
_database_code_amcsd 0004183
12.0748 12.0748 12.0748 90 90 90 Ia-3d
atom      x      y      z occ Biso
CaX    .125      0    .25      .50
FeY       0      0      0 .90  .36
ScY       0      0      0 .10  .36
SiZ    .375      0    .25      .42
O    .03924 .04892 .65571      .40
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Andradite
Download hom/andradite.pdf
Quartieri S, Oberti R, Boiocchi M, Dalconi M C, Boscherini F , Safonova O,
Woodland A B
Download am/vol91/AM91_1240.pdf
American Mineralogist 91 (2006) 1240-1248
Site preference and local geometry of Sc in garnets: Part II.
The crystal-chemistry of octahedral Sc in the andradite-Ca3Sc2Si3O12 join
Locality: synthetic
Sample: adr80CaSc20
_database_code_amcsd 0004184
12.0938 12.0938 12.0938 90 90 90 Ia-3d
atom      x      y      z occ Biso
CaX    .125      0    .25      .53
FeY       0      0      0 .80  .39
ScY       0      0      0 .20  .39
SiZ    .375      0    .25      .39
O    .03945 .04890 .65598      .49
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View JMOL 3-D Structure (permalink)
 
Andradite
Download hom/andradite.pdf
Quartieri S, Oberti R, Boiocchi M, Dalconi M C, Boscherini F , Safonova O,
Woodland A B
Download am/vol91/AM91_1240.pdf
American Mineralogist 91 (2006) 1240-1248
Site preference and local geometry of Sc in garnets: Part II.
The crystal-chemistry of octahedral Sc in the andradite-Ca3Sc2Si3O12 join
Locality: synthetic
Sample: adr70CaSc30
_database_code_amcsd 0004185
12.1128 12.1128 12.1128 90 90 90 Ia-3d
atom      x      y      z occ Biso
CaX    .125      0    .25      .52
FeY       0      0      0 .72  .37
ScY       0      0      0 .28  .37
SiZ    .375      0    .25      .38
O    .03950 .04910 .65636      .48
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Andradite
Download hom/andradite.pdf
Quartieri S, Oberti R, Boiocchi M, Dalconi M C, Boscherini F , Safonova O,
Woodland A B
Download am/vol91/AM91_1240.pdf
American Mineralogist 91 (2006) 1240-1248
Site preference and local geometry of Sc in garnets: Part II.
The crystal-chemistry of octahedral Sc in the andradite-Ca3Sc2Si3O12 join
Locality: synthetic
Sample: adr50CaSc50
_database_code_amcsd 0004186
12.1493 12.1493 12.1493 90 90 90 Ia-3d
atom      x      y      z occ Biso
CaX    .125      0    .25      .54
FeY       0      0      0 .51  .39
ScY       0      0      0 .49  .39
SiZ    .375      0    .25      .41
O    .03965 .04935 .65696      .50
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View JMOL 3-D Structure (permalink)
 
Ca3Sc1.36Fe.64Si3O12
 
Quartieri S, Oberti R, Boiocchi M, Dalconi M C, Boscherini F , Safonova O,
Woodland A B
Download am/vol91/AM91_1240.pdf
American Mineralogist 91 (2006) 1240-1248
Site preference and local geometry of Sc in garnets: Part II.
The crystal-chemistry of octahedral Sc in the andradite-Ca3Sc2Si3O12 join
Locality: synthetic
Sample: adr30CaSc70
_database_code_amcsd 0004187
12.1917 12.1917 12.1917 90 90 90 Ia-3d
atom      x      y      z occ Biso
CaX    .125      0    .25      .55
ScY       0      0      0 .68  .39
FeY       0      0      0 .32  .39
SiZ    .375      0    .25      .40
O    .03980 .04966 .65758      .51
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View JMOL 3-D Structure (permalink)
 
Ca3Sc1.74Fe.26Si3O12
 
Quartieri S, Oberti R, Boiocchi M, Dalconi M C, Boscherini F , Safonova O,
Woodland A B
Download am/vol91/AM91_1240.pdf
American Mineralogist 91 (2006) 1240-1248
Site preference and local geometry of Sc in garnets: Part II.
The crystal-chemistry of octahedral Sc in the andradite-Ca3Sc2Si3O12 join
Locality: synthetic
Sample: adr10CaSc90
_database_code_amcsd 0004188
12.2273 12.2273 12.2273 90 90 90 Ia-3d
atom      x      y      z occ Biso
CaX    .125      0    .25      .52
ScY       0      0      0 .87  .36
FeY       0      0      0 .13  .36
SiZ    .375      0    .25      .38
O    .04004 .05005 .65812      .42
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View JMOL 3-D Structure (permalink)
 
Eringaite
 
Quartieri S, Oberti R, Boiocchi M, Dalconi M C, Boscherini F , Safonova O,
Woodland A B
Download am/vol91/AM91_1240.pdf
American Mineralogist 91 (2006) 1240-1248
Site preference and local geometry of Sc in garnets: Part II.
The crystal-chemistry of octahedral Sc in the andradite-Ca3Sc2Si3O12 join
Locality: synthetic
Sample: CaSc100
_database_code_amcsd 0004189
12.2500 12.2500 12.2500 90 90 90 Ia-3d
atom      x      y      z Biso
CaX    .125      0    .25  .38
ScY       0      0      0  .38
SiZ    .375      0    .25  .38
O    .04004 .05010 .65887  .38
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View JMOL 3-D Structure (permalink)
 
Melanite
 
Quartieri S, Boscherini F, Chaboy J, Dalconi M C, Oberti R, Zanetti A
 
Physics and Chemistry of Minerals 29 (2002) 495-502
Characterization of trace Nd and Ce site preference and coordination in natural
melanites: a combined X-ray diffraction and high-energy XAFS study
Sample: A204
_database_code_amcsd 0008658
12.124 12.124 12.124 90 90 90 Ia-3d
atom     x     y     z   occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
CaX    1/8     0   1/4 .9707  .75  .0009  .0015  .0015      0      0  .0004
NaX    1/8     0   1/4 .0083  .75  .0009  .0015  .0015      0      0  .0004
ZrX    1/8     0   1/4 .0130  .75  .0009  .0015  .0015      0      0  .0004
SrX    1/8     0   1/4 .0003  .75  .0009  .0015  .0015      0      0  .0004
YX     1/8     0   1/4 .0023  .75  .0009  .0015  .0015      0      0  .0004
CeX    1/8     0   1/4 .0010  .75  .0009  .0015  .0015      0      0  .0004
NdX    1/8     0   1/4 .0010  .75  .0009  .0015  .0015      0      0  .0004
SmX    1/8     0   1/4 .0003  .75  .0009  .0015  .0015      0      0  .0004
GdX    1/8     0   1/4 .0003  .75  .0009  .0015  .0015      0      0  .0004
DyX    1/8     0   1/4 .0003  .75  .0009  .0015  .0015      0      0  .0004
AlY      0     0     0 .1400  .55  .0009  .0009  .0009      0      0      0
FeY      0     0     0 .6680  .55  .0009  .0009  .0009      0      0      0
MnY      0     0     0 .0095  .55  .0009  .0009  .0009      0      0      0
MgY      0     0     0 .0730  .55  .0009  .0009  .0009      0      0      0
SiZ    3/8     0   1/4 .7790  .50  .0007  .0009  .0009      0      0      0
TiZ    3/8     0   1/4 .2963  .50  .0007  .0009  .0009      0      0      0
O    .0377 .0481 .6536        .96  .0020  .0015  .0014 -.0003  .0004 -.0001
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Melanite
 
Quartieri S, Boscherini F, Chaboy J, Dalconi M C, Oberti R, Zanetti A
 
Physics and Chemistry of Minerals 29 (2002) 495-502
Characterization of trace Nd and Ce site preference and coordination in natural
melanites: a combined X-ray diffraction and high-energy XAFS study
Sample: V19
_database_code_amcsd 0008659
12.127 12.127 12.127 90 90 90 Ia-3d
atom     x     y     z   occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
CaX    1/8     0   1/4 .9640  .86  .0012  .0016  .0016      0      0  .0004
NaX    1/8     0   1/4 .0133  .86  .0012  .0016  .0016      0      0  .0004
ZrX    1/8     0   1/4 .0093  .86  .0012  .0016  .0016      0      0  .0004
VX     1/8     0   1/4 .0020  .86  .0012  .0016  .0016      0      0  .0004
YX     1/8     0   1/4 .0003  .86  .0012  .0016  .0016      0      0  .0004
CeX    1/8     0   1/4 .0003  .86  .0012  .0016  .0016      0      0  .0004
NdX    1/8     0   1/4 .0003  .86  .0012  .0016  .0016      0      0  .0004
AlY      0     0     0 .0980  .64  .0011  .0011  .0011      0      0      0
FeY      0     0     0 .6955  .64  .0011  .0011  .0011      0      0      0
MnY      0     0     0 .0120  .64  .0011  .0011  .0011      0      0      0
MgY      0     0     0 .0645  .64  .0011  .0011  .0011      0      0      0
SiZ    3/8     0   1/4 .8217  .77  .0012  .0013  .0013      0      0      0
TiZ    3/8     0   1/4 .2753  .77  .0012  .0013  .0013      0      0      0
O    .0377 .0474 .6536       1.11  .0024  .0015  .0017 -.0003  .0004 -.0001
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View JMOL 3-D Structure (permalink)
 
Melanite
 
Quartieri S, Boscherini F, Chaboy J, Dalconi M C, Oberti R, Zanetti A
 
Physics and Chemistry of Minerals 29 (2002) 495-502
Characterization of trace Nd and Ce site preference and coordination in natural
melanites: a combined X-ray diffraction and high-energy XAFS study
Sample: 89/35
_database_code_amcsd 0008660
12.071 12.071 12.071 90 90 90 Ia-3d
atom     x     y     z   occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
CaX    1/8     0   1/4 .9910  .56  .0006  .0011  .0011      0      0  .0000
NaX    1/8     0   1/4 .0060  .56  .0006  .0011  .0011      0      0  .0000
ZrX    1/8     0   1/4 .0053  .56  .0006  .0011  .0011      0      0  .0000
VX     1/8     0   1/4 .0080  .56  .0006  .0011  .0011      0      0  .0000
AlY      0     0     0 .1300  .39  .0007  .0007  .0007      0      0      0
FeY      0     0     0 .7190  .39  .0007  .0007  .0007      0      0      0
MnY      0     0     0 .0155  .39  .0007  .0007  .0007      0      0      0
MgY      0     0     0 .0445  .39  .0007  .0007  .0007      0      0      0
SiZ    3/8     0   1/4 .8857  .42  .0007  .0007  .0007      0      0      0
TiZ    3/8     0   1/4 .1647  .42  .0007  .0007  .0007      0      0      0
O    .0389 .0485 .6540        .77  .0016  .0014  .0010 -.0002  .0001  .0000
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View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 13
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