American Mineralogist Crystal Structure Database

10 matching records for this search.

Almandine
Download hom/almandine.pdf
Quartieri S, Chaboy J, Merli M, Oberti R, Ungaretti L
 
Physics and Chemistry of Minerals 22 (1995) 159-169
Local structural environment of calcium in garnets:
A combined structure-refinement and XANES investigation
Note: sample MP14
Locality: metasedimentary rocks of the Ivrea-Verbano Zone, Italy
_database_code_amcsd 0007901
11.533 11.533 11.533 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 .080  .56  .0006  .0013  .0013      0      0  .0000
Fe2+X  .125     0   .25 .530  .56  .0006  .0013  .0013      0      0  .0000
Mn2+X  .125     0   .25 .013  .56  .0006  .0013  .0013      0      0  .0000
MgX    .125     0   .25 .373  .56  .0006  .0013  .0013      0      0  .0000
AlY       0     0     0 .995  .39  .0007  .0007  .0007  .0000  .0000  .0000
CrY       0     0     0 .005  .39  .0007  .0007  .0007  .0000  .0000  .0000
TiY       0     0     0 .005  .39  .0007  .0007  .0007  .0000  .0000  .0000
SiZ    .375     0   .25       .29  .0006  .0005  .0005      0      0      0
O     .0339 .0489 .6529       .46  .0010  .0010  .0006  .0001 -.0002 -.0002
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View JMOL 3-D Structure (permalink)
 
Almandine
Download hom/almandine.pdf
Quartieri S, Chaboy J, Merli M, Oberti R, Ungaretti L
 
Physics and Chemistry of Minerals 22 (1995) 159-169
Local structural environment of calcium in garnets:
A combined structure-refinement and XANES investigation
Note: sample MP18
Locality: metasedimentary rocks of the Ivrea-Verbano Zone, Italy
_database_code_amcsd 0007902
11.565 11.565 11.565 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 .170  .70  .0008  .0016  .0016      0      0  .0000
Fe2+X  .125     0   .25 .477  .70  .0008  .0016  .0016      0      0  .0000
Mn2+X  .125     0   .25 .013  .70  .0008  .0016  .0016      0      0  .0000
MgX    .125     0   .25 .340  .70  .0008  .0016  .0016      0      0  .0000
AlY       0     0     0       .44  .0008  .0008  .0008  .0000  .0000  .0000
SiZ    .375     0   .25       .38  .0008  .0006  .0006      0      0      0
O     .0343 .0484 .6529       .57  .0013  .0011  .0008  .0002 -.0002 -.0001
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Almandine
Download hom/almandine.pdf
Quartieri S, Chaboy J, Merli M, Oberti R, Ungaretti L
 
Physics and Chemistry of Minerals 22 (1995) 159-169
Local structural environment of calcium in garnets:
A combined structure-refinement and XANES investigation
Note: sample MP12
Locality: metasedimentary rocks of the Ivrea-Verbano Zone, Italy
_database_code_amcsd 0007903
11.571 11.571 11.571 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 .170  .63  .0007  .0014  .0014      0      0  .0000
Fe2+X  .125     0   .25 .520  .63  .0007  .0014  .0014      0      0  .0000
Mn2+X  .125     0   .25 .013  .63  .0007  .0014  .0014      0      0  .0000
MgX    .125     0   .25 .307  .63  .0007  .0014  .0014      0      0  .0000
AlY       0     0     0 .995  .34  .0006  .0006  .0006  .0000  .0000  .0000
TiY       0     0     0 .005  .34  .0006  .0006  .0006  .0000  .0000  .0000
SiZ    .375     0   .25       .37  .0008  .0006  .0006      0      0      0
O     .0344 .0486 .6528       .58  .0013  .0011  .0008  .0002 -.0002  .0001
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Pyrope
Download hom/pyrope.pdf
Quartieri S, Chaboy J, Merli M, Oberti R, Ungaretti L
 
Physics and Chemistry of Minerals 22 (1995) 159-169
Local structural environment of calcium in garnets:
A combined structure-refinement and XANES investigation
Sample: SBB
_database_code_amcsd 0007904
11.663 11.663 11.663 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 .463  .59  .0006  .0013  .0013      0      0  .0000
Fe2+X  .125     0   .25 .153  .59  .0006  .0013  .0013      0      0  .0000
Mn2+X  .125     0   .25 .003  .59  .0006  .0013  .0013      0      0  .0000
MgX    .125     0   .25 .380  .59  .0006  .0013  .0013      0      0  .0000
AlY       0     0     0 .995  .38  .0007  .0007  .0007  .0000  .0000  .0000
Fe3+Y     0     0     0 .005  .38  .0007  .0007  .0007  .0000  .0000  .0000
SiZ    .375     0   .25       .38  .0010  .0005  .0005      0      0      0
O     .0355 .0469 .6524       .61  .0017  .0010  .0007  .0002 -.0003  .0001
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Grossular
Download hom/grossular.pdf
Quartieri S, Chaboy J, Merli M, Oberti R, Ungaretti L
 
Physics and Chemistry of Minerals 22 (1995) 159-169
Local structural environment of calcium in garnets:
A combined structure-refinement and XANES investigation
Note: sample VOL
Locality: Voltri, Liguria, Italy
_database_code_amcsd 0007905
11.787 11.787 11.787 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 .713  .60  .0007  .0013  .0013      0      0  .0000
Fe2+X  .125     0   .25 .243  .60  .0007  .0013  .0013      0      0  .0000
Mn2+X  .125     0   .25 .013  .60  .0007  .0013  .0013      0      0  .0000
MgX    .125     0   .25 .030  .60  .0007  .0013  .0013      0      0  .0000
AlY       0     0     0 .935  .45  .0008  .0008  .0008  .0000  .0000  .0000
Fe3+Y     0     0     0 .060  .45  .0008  .0008  .0008  .0000  .0000  .0000
TiY       0     0     0 .005  .45  .0008  .0008  .0008  .0000  .0000  .0000
SiZ    .375     0   .25       .34  .0008  .0005  .0005      0      0      0
O     .0372 .0462 .6521       .52  .0012  .0009  .0007  .0001 -.0001  .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)
 
Grossular
Download hom/grossular.pdf
Quartieri S, Chaboy J, Merli M, Oberti R, Ungaretti L
 
Physics and Chemistry of Minerals 22 (1995) 159-169
Local structural environment of calcium in garnets:
A combined structure-refinement and XANES investigation
Note: sample BRIC
Locality: Bric Canizzi, Liguria, Italy
_database_code_amcsd 0007906
11.967 11.967 11.967 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 .963  .48  .0006  .0010  .0010      0      0  .0000
Fe2+X  .125     0   .25 .023  .48  .0006  .0010  .0010      0      0  .0000
Mn2+X  .125     0   .25 .013  .48  .0006  .0010  .0010      0      0  .0000
AlY       0     0     0 .500  .39  .0007  .0007  .0007  .0000  .0000  .0000
Fe3+Y     0     0     0 .380  .39  .0007  .0007  .0007  .0000  .0000  .0000
Fe2+Y     0     0     0 .060  .39  .0007  .0007  .0007  .0000  .0000  .0000
TiY       0     0     0 .060  .39  .0007  .0007  .0007  .0000  .0000  .0000
SiZ    .375     0   .25       .34  .0005  .0006  .0006      0      0      0
O     .0387 .0469 .6532       .51  .0009  .0009  .0008 -.0003  .0001  .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)
 
Grossular
Download hom/grossular.pdf
Quartieri S, Chaboy J, Merli M, Oberti R, Ungaretti L
 
Physics and Chemistry of Minerals 22 (1995) 159-169
Local structural environment of calcium in garnets:
A combined structure-refinement and XANES investigation
Note: sample GRO
Locality: Val di Fassa, Italy
_database_code_amcsd 0007907
11.871 11.871 11.871 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 .967  .47  .0006  .0009  .0009      0      0  .0000
Fe2+X  .125     0   .25 .010  .47  .0006  .0009  .0009      0      0  .0000
Mn2+X  .125     0   .25 .003  .47  .0006  .0009  .0009      0      0  .0000
MgX    .125     0   .25 .020  .47  .0006  .0009  .0009      0      0  .0000
AlY       0     0     0 .905  .38  .0007  .0007  .0007  .0000  .0000  .0000
Fe3+Y     0     0     0 .095  .38  .0007  .0007  .0007  .0000  .0000  .0000
TiY       0     0     0 .005  .38  .0007  .0007  .0007  .0000  .0000  .0000
SiZ    .375     0   .25       .33  .0005  .0006  .0006      0      0      0
O     .0384 .0457 .6518       .44  .0008  .0009  .0007  .0003 -.0001  .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)
 
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
Download AMC data (View Text File)
Download CIF data (View Text File)
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
Download AMC data (View Text File)
Download CIF data (View Text File)
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: 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
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: 10
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