|
Katoite |
 |
Lager G A, Downs R T, Origlieri M J, Garoutte R |
 |
American Mineralogist 87 (2002) 642-647 |
|
High-pressure single-crystal X-ray diffraction study of katoite hydrogarnet: |
|
Evidence for a phase transition from Ia-3d - I-43d symmetry at 5 GPa |
|
Sample: P = 0 |
|
_database_code_amcsd 0002791 |
|
12.5731 12.5731 12.5731 90 90 90 Ia-3d |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ca .125 0 .25 .0021 .00151 .00151 0 0 .0000 |
|
Al 0 0 0 .00138 .00138 .00138 -.0000 -.0000 -.0000 |
|
SiT .375 0 .25 0 |
|
OH .0285 .0522 .6402 .0026 .0020 .0016 -.0001 .0001 -.0002 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Katoite |
|
Lager G A, Downs R T, Origlieri M J, Garoutte R |
|
American Mineralogist 87 (2002) 642-647 |
|
High-pressure single-crystal X-ray diffraction study of katoite hydrogarnet: |
|
Evidence for a phase transition from Ia-3d - I-43d symmetry at 5 GPa |
|
Sample: P = 2.15 GPa |
|
_database_code_amcsd 0002792 |
|
12.4286 12.4286 12.4286 90 90 90 Ia-3d |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ca .125 0 .25 .0021 .00125 .00125 0 0 .0001 |
|
Al 0 0 0 .00133 .00133 .00133 .0001 .0001 .0001 |
|
SiT .375 0 .25 0 |
|
OH .0289 .0530 .6410 .0023 .0022 .0013 -.0004 -.0001 -.0002 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Katoite |
|
Lager G A, Downs R T, Origlieri M J, Garoutte R |
|
American Mineralogist 87 (2002) 642-647 |
|
High-pressure single-crystal X-ray diffraction study of katoite hydrogarnet: |
|
Evidence for a phase transition from Ia-3d - I-43d symmetry at 5 GPa |
|
Sample: P = 4.21 GPa |
|
_database_code_amcsd 0002793 |
|
12.3094 12.3094 12.3094 90 90 90 Ia-3d |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ca .125 0 .25 .0027 .00148 .00148 0 0 .0002 |
|
Al 0 0 0 .00144 .00144 .00144 .0000 .0000 .0000 |
|
SiT .375 0 .25 0 |
|
OH .0299 .0529 .6414 .0025 .0019 .0016 -.0003 -.0002 -.0003 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Katoite |
|
Lager G A, Downs R T, Origlieri M J, Garoutte R |
|
American Mineralogist 87 (2002) 642-647 |
|
High-pressure single-crystal X-ray diffraction study of katoite hydrogarnet: |
|
Evidence for a phase transition from Ia-3d - I-43d symmetry at 5 GPa |
|
Sample: P = 5.09 GPa |
|
_database_code_amcsd 0002794 |
|
12.2595 12.2595 12.2595 90 90 90 Ia-3d |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ca .125 0 .25 .0034 .00163 .00163 0 0 -.0001 |
|
Al 0 0 0 .00172 .00172 .00172 .0001 .0001 .0001 |
|
SiT .375 0 .25 0 |
|
OH .0306 .0528 .6421 .0028 .0023 .0020 -.0003 -.0005 -.0003 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Katoite |
|
Lager G A, Downs R T, Origlieri M J, Garoutte R |
|
American Mineralogist 87 (2002) 642-647 |
|
High-pressure single-crystal X-ray diffraction study of katoite hydrogarnet: |
|
Evidence for a phase transition from Ia-3d - I-43d symmetry at 5 GPa |
|
Sample: P = 6.00 GPa |
|
_database_code_amcsd 0002795 |
|
12.2145 12.2145 12.2145 90 90 90 Ia-3d |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ca .125 0 .25 .0040 .0015 .0015 0 0 -.0004 |
|
Al 0 0 0 .0019 .0019 .0019 .0002 .0002 .0002 |
|
SiT .375 0 .25 0 |
|
OH .0310 .0527 .6423 .0026 .0022 .0019 -.0005 .0002 -.0004 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Katoite |
|
Lager G A, Downs R T, Origlieri M J, Garoutte R |
|
American Mineralogist 87 (2002) 642-647 |
|
High-pressure single-crystal X-ray diffraction study of katoite hydrogarnet: |
|
Evidence for a phase transition from Ia-3d - I-43d symmetry at 5 GPa |
|
Sample: P = 6.00 GPa |
|
_database_code_amcsd 0002796 |
|
12.2145 12.2145 12.2145 90 90 90 I-43d |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ca .1342 0 .25 .0022 .0012 .0019 0 0 -.0000 |
|
Al .0024 .0024 .0024 .00163 .00163 .00163 -.0000 -.0000 -.0000 |
|
SiT1 .375 0 .25 0 |
|
SiT2 0 .25 .875 0 |
|
OH1 .0339 .0510 .6381 .0012 .0029 .0018 -.0005 .0005 .0001 |
|
OH2 .1465 .9717 .0536 .0018 .0044 .0016 .0003 -.0006 .0001 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Katoite |
|
Lager G A, Downs R T, Origlieri M J, Garoutte R |
|
American Mineralogist 87 (2002) 642-647 |
|
High-pressure single-crystal X-ray diffraction study of katoite hydrogarnet: |
|
Evidence for a phase transition from Ia-3d - I-43d symmetry at 5 GPa |
|
Sample: P = 7.09 GPa |
|
_database_code_amcsd 0002797 |
|
12.1623 12.1623 12.1623 90 90 90 I-43d |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ca .1354 0 .25 .0022 .0015 .0016 0 0 .0004 |
|
Al .0039 .0039 .0039 .00118 .00118 .00118 -.0003 -.0003 -.0003 |
|
SiT1 .375 0 .25 0 |
|
SiT2 0 .25 .875 0 |
|
OH1 .0340 .0533 .6386 .0023 .0013 .0013 -.0001 -.0008 .0004 |
|
OH2 .1468 .9719 .0518 .0014 .0029 .0030 -.0009 -.0004 -.0003 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Katoite |
|
Lager G A, Downs R T, Origlieri M J, Garoutte R |
|
American Mineralogist 87 (2002) 642-647 |
|
High-pressure single-crystal X-ray diffraction study of katoite hydrogarnet: |
|
Evidence for a phase transition from Ia-3d - I-43d symmetry at 5 GPa |
|
Sample: P = 7.78 GPa |
|
_database_code_amcsd 0002798 |
|
12.1267 12.1267 12.1267 90 90 90 I-43d |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ca .1370 0 .25 .0016 .0014 .0015 0 0 .0004 |
|
Al .0032 .0032 .0032 .00127 .00127 .00127 -.0001 -.0001 -.0001 |
|
SiT1 .375 0 .25 0 |
|
SiT2 0 .25 .875 0 |
|
OH1 .0356 .0528 .6388 .0021 .0016 .0014 -.0007 .0002 .0002 |
|
OH2 .1476 .9732 .0538 .0017 .0027 .0019 .0001 -.0008 -.0002 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
Multiple datasets can be concatenated into a single downloadable file by
selecting the datasets and then hitting the "Download Selected Data" button.
