|
Brucite |
 |
Nagai T, Hattori T, Yamanaka T |
 |
American Mineralogist 85 (2000) 760-764 |
|
Compression mechanism of brucite: An investigation by the structural refinement |
|
under pressure |
|
Sample: P = .6 GPa |
|
_database_code_amcsd 0002432 |
|
3.1264 3.1264 4.7315 90 90 120 P-3m1 |
|
atom x y z |
|
Mg 0 0 0 |
|
O 1/3 2/3 .220 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Brucite |
|
Nagai T, Hattori T, Yamanaka T |
|
American Mineralogist 85 (2000) 760-764 |
|
Compression mechanism of brucite: An investigation by the structural refinement |
|
under pressure |
|
Sample: P = 2.5 GPa |
|
_database_code_amcsd 0002433 |
|
3.1090 3.1090 4.6573 90 90 120 P-3m1 |
|
atom x y z |
|
Mg 0 0 0 |
|
O 1/3 2/3 .226 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Brucite |
|
Nagai T, Hattori T, Yamanaka T |
|
American Mineralogist 85 (2000) 760-764 |
|
Compression mechanism of brucite: An investigation by the structural refinement |
|
under pressure |
|
Sample: P = 6.2 GPa |
|
_database_code_amcsd 0002434 |
|
3.0763 3.0763 4.549 90 90 120 P-3m1 |
|
atom x y z |
|
Mg 0 0 0 |
|
O 1/3 2/3 .235 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Brucite |
|
Nagai T, Hattori T, Yamanaka T |
|
American Mineralogist 85 (2000) 760-764 |
|
Compression mechanism of brucite: An investigation by the structural refinement |
|
under pressure |
|
Sample: P = 8.9 GPa |
|
_database_code_amcsd 0002435 |
|
3.0533 3.0533 4.475 90 90 120 P-3m1 |
|
atom x y z |
|
Mg 0 0 0 |
|
O 1/3 2/3 .246 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Brucite |
|
Nagai T, Hattori T, Yamanaka T |
|
American Mineralogist 85 (2000) 760-764 |
|
Compression mechanism of brucite: An investigation by the structural refinement |
|
under pressure |
|
Sample: P = 12.5 GPa |
|
_database_code_amcsd 0002436 |
|
3.0114 3.0114 4.353 90 90 120 P-3m1 |
|
atom x y z |
|
Mg 0 0 0 |
|
O 1/3 2/3 .250 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Brucite |
|
Nagai T, Hattori T, Yamanaka T |
|
American Mineralogist 85 (2000) 760-764 |
|
Compression mechanism of brucite: An investigation by the structural refinement |
|
under pressure |
|
Sample: P = 16.0 GPa |
|
_database_code_amcsd 0002437 |
|
3.0003 3.0003 4.325 90 90 120 P-3m1 |
|
atom x y z |
|
Mg 0 0 0 |
|
O 1/3 2/3 .246 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Brucite |
|
Nagai T, Hattori T, Yamanaka T |
|
American Mineralogist 85 (2000) 760-764 |
|
Compression mechanism of brucite: An investigation by the structural refinement |
|
under pressure |
|
Sample: P = 18.0 GPa |
|
_database_code_amcsd 0002438 |
|
2.9838 2.9838 4.294 90 90 120 P-3m1 |
|
atom x y z |
|
Mg 0 0 0 |
|
O 1/3 2/3 .250 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Clinopyroxene |
| |
Hattori T, Nagai T, Yamanaka T, Werner S, Schulz H |
|
American Mineralogist 85 (2000) 1485-1491 |
|
Single-crystal X-ray diffraction study of FeGeO3 high-P clinopyroxene |
|
(C2/c) up to 8.2 GPa |
|
Sample at P = 0 GPa |
|
_database_code_amcsd 0002569 |
|
9.798 9.140 5.205 90 101.80 90 C2/c |
|
atom x y z Biso |
|
Fe1 0 .9076 .25 .56 |
|
Fe2 0 .2709 .25 .54 |
|
Ge .3006 .0925 .2161 .362 |
|
O1 .1186 .0899 .1388 .54 |
|
O2 .3840 .2402 .3833 .58 |
|
O3 .3583 .0647 .9161 .58 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Clinopyroxene |
| |
Hattori T, Nagai T, Yamanaka T, Werner S, Schulz H |
|
American Mineralogist 85 (2000) 1485-1491 |
|
Single-crystal X-ray diffraction study of FeGeO3 high-P clinopyroxene |
|
(C2/c) up to 8.2 GPa |
|
Sample at P = 1.5 GPa |
|
_database_code_amcsd 0002570 |
|
9.746 9.084 5.177 90 101.52 90 C2/c |
|
atom x y z Biso |
|
Fe1 0 .9084 .25 1.48 |
|
Fe2 0 .2715 .25 1.45 |
|
Ge .3011 .0927 .2155 1.38 |
|
O1 .1193 .0891 .1366 1.52 |
|
O2 .3875 .2418 .3845 1.87 |
|
O3 .3601 .0661 .9127 1.57 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Clinopyroxene |
| |
Hattori T, Nagai T, Yamanaka T, Werner S, Schulz H |
|
American Mineralogist 85 (2000) 1485-1491 |
|
Single-crystal X-ray diffraction study of FeGeO3 high-P clinopyroxene |
|
(C2/c) up to 8.2 GPa |
|
Sample at P = 4.5 GPa |
|
_database_code_amcsd 0002571 |
|
9.651 8.988 5.136 90 100.97 90 C2/c |
|
atom x y z Biso |
|
Fe1 0 .9101 .25 1.43 |
|
Fe2 0 .2723 .25 1.38 |
|
Ge .3015 .0936 .2145 1.27 |
|
O1 .1181 .0910 .1350 1.37 |
|
O2 .3860 .2440 .3879 1.47 |
|
O3 .3645 .0657 .9134 1.44 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Clinopyroxene |
| |
Hattori T, Nagai T, Yamanaka T, Werner S, Schulz H |
|
American Mineralogist 85 (2000) 1485-1491 |
|
Single-crystal X-ray diffraction study of FeGeO3 high-P clinopyroxene |
|
(C2/c) up to 8.2 GPa |
|
Sample at P = 7.4 GPa |
|
_database_code_amcsd 0002572 |
|
9.600 8.912 5.108 90 100.67 90 C2/c |
|
atom x y z Biso |
|
Fe1 0 .9111 .25 1.49 |
|
Fe2 0 .2727 .25 1.48 |
|
Ge .3023 .0941 .2138 1.41 |
|
O1 .1193 .0910 .1360 1.39 |
|
O2 .3806 .2465 .3867 1.67 |
|
O3 .3654 .0656 .9098 1.63 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Clinopyroxene |
| |
Hattori T, Nagai T, Yamanaka T, Werner S, Schulz H |
|
American Mineralogist 85 (2000) 1485-1491 |
|
Single-crystal X-ray diffraction study of FeGeO3 high-P clinopyroxene |
|
(C2/c) up to 8.2 GPa |
|
Sample at P = 8.2 GPa |
|
_database_code_amcsd 0002573 |
|
9.583 8.883 5.093 90 100.56 90 C2/c |
|
atom x y z Biso |
|
Fe1 0 .9115 .25 1.32 |
|
Fe2 0 .2728 .25 1.26 |
|
Ge .3022 .0943 .2136 1.27 |
|
O1 .1197 .0898 .1340 1.49 |
|
O2 .3820 .2463 .3848 1.63 |
|
O3 .3629 .0680 .9081 1.37 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Clinopyroxene |
| |
Hattori T, Nagai T, Yamanaka T, Werner S, Schulz H |
|
American Mineralogist 85 (2000) 1485-1491 |
|
Single-crystal X-ray diffraction study of FeGeO3 high-P clinopyroxene |
|
(C2/c) up to 8.2 GPa |
|
Sample: Ideal pyroxene structure |
|
_database_code_amcsd 0002574 |
|
9.287 8.400 4.850 90 100.025 90 C2/c |
|
atom x y z |
|
Fe1 0 11/12 .25 |
|
Fe2 0 .25 .25 |
|
Ge 5/16 1/12 3/16 |
|
O1 1/8 1/12 1/8 |
|
O2 3/8 .25 3/8 |
|
O3 3/8 1/12 7/8 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Goethite |
|
Nagai T, Kagi H, Yamanaka T |
|
American Mineralogist 88 (2003) 1423-1427 |
|
Variation of hydrogen bonded O...O distances in goethite at high pressure |
|
Sample at P = 0 GPa |
|
_database_code_amcsd 0003165 |
|
4.6250 9.9900 3.0370 90 90 90 Pbnm |
|
atom x y z |
|
Fe -.045 .145 .25 |
|
O1 .288 -.199 .25 |
|
O2 -.198 -.053 .25 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Goethite |
|
Nagai T, Kagi H, Yamanaka T |
|
American Mineralogist 88 (2003) 1423-1427 |
|
Variation of hydrogen bonded O...O distances in goethite at high pressure |
|
Sample at P = 0.5 GPa |
|
_database_code_amcsd 0003166 |
|
4.6152 9.9870 3.0316 90 90 90 Pbnm |
|
atom x y z |
|
Fe -.0485 .1466 .25 |
|
O1 .288 -.1968 .25 |
|
O2 -.198 -.0541 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Goethite |
|
Nagai T, Kagi H, Yamanaka T |
|
American Mineralogist 88 (2003) 1423-1427 |
|
Variation of hydrogen bonded O...O distances in goethite at high pressure |
|
Sample at P = 2.8 GPa |
|
_database_code_amcsd 0003167 |
|
4.5692 9.9428 3.0163 90 90 90 Pbnm |
|
atom x y z |
|
Fe -.0491 .1460 .25 |
|
O1 .288 -.1964 .25 |
|
O2 -.200 -.0538 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Goethite |
|
Nagai T, Kagi H, Yamanaka T |
|
American Mineralogist 88 (2003) 1423-1427 |
|
Variation of hydrogen bonded O...O distances in goethite at high pressure |
|
Sample at P = 6.3 GPa |
|
_database_code_amcsd 0003168 |
|
4.5086 9.8759 2.9910 90 90 90 Pbnm |
|
atom x y z |
|
Fe -.0472 .1454 .25 |
|
O1 .295 -.1960 .25 |
|
O2 -.203 -.0538 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Goethite |
|
Nagai T, Kagi H, Yamanaka T |
|
American Mineralogist 88 (2003) 1423-1427 |
|
Variation of hydrogen bonded O...O distances in goethite at high pressure |
|
Sample at P = 9.0 GPa |
|
_database_code_amcsd 0003169 |
|
4.4683 9.8334 2.9739 90 90 90 Pbnm |
|
atom x y z |
|
Fe -.0457 .1444 .25 |
|
O1 .306 -.1961 .25 |
|
O2 -.207 -.0520 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Kalicinite |
|
Kagi H, Nagai T, Loveday J S, Wada C, Parise J B |
|
American Mineralogist 88 (2003) 1446-1451 |
|
Pressure-induced phase transformation of kalicinite (KHCO3) at 2.8 GPa |
|
and local structural changes around hydrogen atoms |
|
Sample: at P = 0 GPa |
|
_database_code_amcsd 0003172 |
|
15.192 5.6290 3.7067 90 104.538 90 P2_1/a |
|
atom x y z |
|
K1 .1650 .031 .300 |
|
C1 .120 .521 -.143 |
|
D1 .017 .695 -.444 |
|
O1 .1944 .535 .090 |
|
O2 .0794 .720 -.269 |
|
O3 .0849 .327 -.273 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Kalicinite |
|
Kagi H, Nagai T, Loveday J S, Wada C, Parise J B |
|
American Mineralogist 88 (2003) 1446-1451 |
|
Pressure-induced phase transformation of kalicinite (KHCO3) at 2.8 GPa |
|
and local structural changes around hydrogen atoms |
|
Sample: at P = 0.2 GPa |
|
_database_code_amcsd 0003173 |
|
15.103 5.6152 3.6963 90 104.19 90 P2_1/a |
|
atom x y z |
|
K1 .172 .021 .281 |
|
C1 .125 .521 -.133 |
|
D1 .014 .681 -.451 |
|
O1 .193 .531 .115 |
|
O2 .082 .715 -.274 |
|
O3 .090 .321 -.288 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Kalicinite |
|
Kagi H, Nagai T, Loveday J S, Wada C, Parise J B |
|
American Mineralogist 88 (2003) 1446-1451 |
|
Pressure-induced phase transformation of kalicinite (KHCO3) at 2.8 GPa |
|
and local structural changes around hydrogen atoms |
|
Sample: at P = 1.8 GPa |
|
_database_code_amcsd 0003174 |
|
14.746 5.555 3.6452 90 102.87 90 P2_1/a |
|
atom x y z |
|
K1 .163 -.017 .296 |
|
C1 .121 .478 -.125 |
|
D1 .016 .691 -.412 |
|
O1 .189 .523 .120 |
|
O2 .080 .684 -.253 |
|
O3 .085 .270 -.301 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Kalicinite |
|
Kagi H, Nagai T, Loveday J S, Wada C, Parise J B |
|
American Mineralogist 88 (2003) 1446-1451 |
|
Pressure-induced phase transformation of kalicinite (KHCO3) at 2.8 GPa |
|
and local structural changes around hydrogen atoms |
|
Sample: at P = 2.3 GPa |
|
_database_code_amcsd 0003175 |
|
14.481 5.510 3.616 90 101.94 90 P2_1/a |
|
atom x y z |
|
K1 .164 .014 .285 |
|
C1 .120 .539 -.108 |
|
D1 .011 .699 -.432 |
|
O1 .196 .534 .127 |
|
O2 .080 .722 -.294 |
|
O3 .083 .321 -.254 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Kalicinite |
|
Kagi H, Nagai T, Loveday J S, Wada C, Parise J B |
|
American Mineralogist 88 (2003) 1446-1451 |
|
Pressure-induced phase transformation of kalicinite (KHCO3) at 2.8 GPa |
|
and local structural changes around hydrogen atoms |
|
Sample: at P = 2.5 GPa |
|
_database_code_amcsd 0003176 |
|
14.379 5.494 3.609 90 101.64 90 P2_1/a |
|
atom x y z |
|
K1 .162 .021 .298 |
|
C1 .121 .541 -.104 |
|
D1 .014 .707 -.425 |
|
O1 .195 .532 .123 |
|
O2 .079 .728 -.301 |
|
O3 .083 .329 -.239 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
MgSiO3 |
| |
Yamanaka T, Komatsu Y, Sugahara M, Nagai T |
|
American Mineralogist 90 (2005) 1301-1307 |
|
Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression |
|
Sample: P = 0.0001 GPa |
|
_database_code_amcsd 0003868 |
|
4.729 4.729 13.559 90 90 120 R-3 |
|
atom x y z Biso |
|
Mg 0 0 .36029 .51 |
|
Si 0 0 .15773 .30 |
|
O .3230 .0366 .23956 .39 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
MgSiO3 |
| |
Yamanaka T, Komatsu Y, Sugahara M, Nagai T |
|
American Mineralogist 90 (2005) 1301-1307 |
|
Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression |
|
Sample: P = 2.5 GPa |
|
_database_code_amcsd 0003869 |
|
4.707 4.707 13.474 90 90 120 R-3 |
|
atom x y z Biso |
|
Mg 0 0 .3592 .65 |
|
Si 0 0 .1574 .49 |
|
O .3232 .0365 .2401 .49 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
MgSiO3 |
| |
Yamanaka T, Komatsu Y, Sugahara M, Nagai T |
|
American Mineralogist 90 (2005) 1301-1307 |
|
Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression |
|
Sample: P = 5.7 GPa |
|
_database_code_amcsd 0003870 |
|
4.697 4.697 13.408 90 90 120 R-3 |
|
atom x y z Biso |
|
Mg 0 0 .3582 .63 |
|
Si 0 0 .1575 .39 |
|
O .3225 .0365 .2403 .45 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
MgSiO3 |
| |
Yamanaka T, Komatsu Y, Sugahara M, Nagai T |
|
American Mineralogist 90 (2005) 1301-1307 |
|
Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression |
|
Sample: P = 7.8 GPa |
|
_database_code_amcsd 0003871 |
|
4.688 4.688 13.354 90 90 120 R-3 |
|
atom x y z Biso |
|
Mg 0 0 .3577 .41 |
|
Si 0 0 .1572 .28 |
|
O .3261 .0384 .2408 .47 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
MgGeO3 |
| |
Yamanaka T, Komatsu Y, Sugahara M, Nagai T |
|
American Mineralogist 90 (2005) 1301-1307 |
|
Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression |
|
Sample: P = 0.0001 GPa |
|
_database_code_amcsd 0003872 |
|
4.9375 4.9375 13.743 90 90 120 R-3 |
|
atom x y z Biso |
|
Mg 0 0 .3590 .56 |
|
Ge 0 0 .15363 .36 |
|
O .3170 .0273 .2436 .53 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
MgGeO3 |
| |
Yamanaka T, Komatsu Y, Sugahara M, Nagai T |
|
American Mineralogist 90 (2005) 1301-1307 |
|
Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression |
|
Sample: P = 1.8 GPa |
|
_database_code_amcsd 0003873 |
|
4.923 4.923 13.687 90 90 120 R-3 |
|
atom x y z Biso |
|
Mg 0 0 .3592 .42 |
|
Ge 0 0 .1534 .26 |
|
O .3169 .0268 .2439 .35 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
MgGeO3 |
| |
Yamanaka T, Komatsu Y, Sugahara M, Nagai T |
|
American Mineralogist 90 (2005) 1301-1307 |
|
Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression |
|
Sample: P = 4.7 GPa |
|
_database_code_amcsd 0003874 |
|
4.907 4.907 13.605 90 90 120 R-3 |
|
atom x y z Biso |
|
Mg 0 0 .3589 .35 |
|
Ge 0 0 .1536 .18 |
|
O .3164 .0261 .2440 .24 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
MgGeO3 |
| |
Yamanaka T, Komatsu Y, Sugahara M, Nagai T |
|
American Mineralogist 90 (2005) 1301-1307 |
|
Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression |
|
Sample: P = 8.1 GPa |
|
_database_code_amcsd 0003875 |
|
4.880 4.880 13.502 90 90 120 R-3 |
|
atom x y z Biso |
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Mg 0 0 .3587 .37 |
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Ge 0 0 .1535 .19 |
|
O .3183 .0262 .2445 .19 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
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MgGeO3 |
| |
Yamanaka T, Komatsu Y, Sugahara M, Nagai T |
|
American Mineralogist 90 (2005) 1301-1307 |
|
Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression |
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Sample: P = 9.3 GPa |
|
_database_code_amcsd 0003876 |
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4.871 4.871 13.458 90 90 120 R-3 |
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atom x y z Biso |
|
Mg 0 0 .3581 .33 |
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Ge 0 0 .1528 .29 |
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O .3157 .0244 .2447 .24 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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MgTiO3 |
| |
Yamanaka T, Komatsu Y, Sugahara M, Nagai T |
|
American Mineralogist 90 (2005) 1301-1307 |
|
Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression |
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Sample: P = 0.0001 GPa |
|
_database_code_amcsd 0003877 |
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5.0540 5.0540 13.898 90 90 120 R-3 |
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atom x y z Biso |
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Mg 0 0 .35563 .54 |
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Ti 0 0 .14496 .41 |
|
O .3159 .0218 .24641 .51 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
MgTiO3 |
| |
Yamanaka T, Komatsu Y, Sugahara M, Nagai T |
|
American Mineralogist 90 (2005) 1301-1307 |
|
Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression |
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Sample: P = 3.1 GPa |
|
_database_code_amcsd 0003878 |
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5.028 5.028 13.79 90 90 120 R-3 |
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atom x y z Biso |
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Mg 0 0 .3560 .58 |
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Ti 0 0 .1447 .31 |
|
O .3167 .0222 .2473 .52 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
MgTiO3 |
| |
Yamanaka T, Komatsu Y, Sugahara M, Nagai T |
|
American Mineralogist 90 (2005) 1301-1307 |
|
Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression |
|
Sample: P = 5.8 GPa |
|
_database_code_amcsd 0003879 |
|
5.006 5.006 13.689 90 90 120 R-3 |
|
atom x y z Biso |
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Mg 0 0 .3559 .48 |
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Ti 0 0 .1453 .25 |
|
O .3152 .0222 .2474 .40 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
MgTiO3 |
| |
Yamanaka T, Komatsu Y, Sugahara M, Nagai T |
|
American Mineralogist 90 (2005) 1301-1307 |
|
Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression |
|
Sample: P = 8.1 GPa |
|
_database_code_amcsd 0003880 |
|
4.992 4.992 13.609 90 90 120 R-3 |
|
atom x y z Biso |
|
Mg 0 0 .3560 .50 |
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Ti 0 0 .1446 .02 |
|
O .3143 .0199 .2473 .45 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
KHCO3 |
| |
Komatsu K, Kagi H, Nagai T, Kuribayashi T, Parise J B, Kudoh Y |
| |
American Mineralogist 92 (2007) 1270-1275 |
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Single-crystal X-ray diffraction study of high-pressure phases of KHCO3 |
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Locality: synthetic |
|
Sample: phase IV, P = 4.6 GPa |
|
Note: high-pressure polymorph of kalcinite |
|
_database_code_amcsd 0004414 |
|
10.024 6.912 4.1868 115.92 90 90 P2_1/b |
|
atom x y z Uiso |
|
K .32167 .5869 .4345 .0168 |
|
C .0456 .705 .8191 .017 |
|
O1 .0806 .8352 .6998 .0218 |
|
O2 .9244 .6632 .8584 .0210 |
|
O3 .1397 .6120 .9320 .0191 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Portlandite |
|
Nagai T, Ito T, Hattori T, Yamanaka T |
| |
Physics and Chemistry of Minerals 27 (2000) 462-466 |
|
Compression mechanism and amorphization of portlandite, |
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Ca(OH)2: structural refinement under pressure |
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Sample: P = 0.5 GPa |
|
_database_code_amcsd 0008414 |
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3.5682 3.5682 4.8625 90 90 120 P-3m1 |
|
atom x y z Biso |
|
Ca 0 0 0 .30 |
|
OH 1/3 2/3 .233 1.0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Portlandite |
|
Nagai T, Ito T, Hattori T, Yamanaka T |
| |
Physics and Chemistry of Minerals 27 (2000) 462-466 |
|
Compression mechanism and amorphization of portlandite, |
|
Ca(OH)2: structural refinement under pressure |
|
Sample: P = 2.4 GPa |
|
_database_code_amcsd 0008415 |
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3.5338 3.5338 4.7120 90 90 120 P-3m1 |
|
atom x y z Biso |
|
Ca 0 0 0 .33 |
|
OH 1/3 2/3 .244 1.2 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Portlandite |
|
Nagai T, Ito T, Hattori T, Yamanaka T |
| |
Physics and Chemistry of Minerals 27 (2000) 462-466 |
|
Compression mechanism and amorphization of portlandite, |
|
Ca(OH)2: structural refinement under pressure |
|
Sample: P = 4.3 GPa |
|
_database_code_amcsd 0008416 |
|
3.5104 3.5104 4.6294 90 90 120 P-3m1 |
|
atom x y z Biso |
|
Ca 0 0 0 .27 |
|
OH 1/3 2/3 .249 .9 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Portlandite |
|
Nagai T, Ito T, Hattori T, Yamanaka T |
| |
Physics and Chemistry of Minerals 27 (2000) 462-466 |
|
Compression mechanism and amorphization of portlandite, |
|
Ca(OH)2: structural refinement under pressure |
|
Sample: P = 6.3 GPa |
|
_database_code_amcsd 0008417 |
|
3.4806 3.4806 4.5352 90 90 120 P-3m1 |
|
atom x y z Biso |
|
Ca 0 0 0 .38 |
|
OH 1/3 2/3 .258 .9 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Portlandite |
|
Nagai T, Ito T, Hattori T, Yamanaka T |
| |
Physics and Chemistry of Minerals 27 (2000) 462-466 |
|
Compression mechanism and amorphization of portlandite, |
|
Ca(OH)2: structural refinement under pressure |
|
Sample: P = 8.1 GPa |
|
_database_code_amcsd 0008418 |
|
3.4575 3.4575 4.451 90 90 120 P-3m1 |
|
atom x y z Biso |
|
Ca 0 0 0 .8 |
|
OH 1/3 2/3 .266 1.8 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Portlandite |
|
Nagai T, Ito T, Hattori T, Yamanaka T |
| |
Physics and Chemistry of Minerals 27 (2000) 462-466 |
|
Compression mechanism and amorphization of portlandite, |
|
Ca(OH)2: structural refinement under pressure |
|
Sample: P = 9.7 GPa |
|
_database_code_amcsd 0008419 |
|
3.442 3.442 4.4053 90 90 120 P-3m1 |
|
atom x y z Biso |
|
Ca 0 0 0 .5 |
|
OH 1/3 2/3 .272 2.2 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
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