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Protopyroxene |
| |
Yang H, Finger L W, Conrad P G, Prewitt C T, Hazen R M |
 |
American Mineralogist 84 (1999) 245-256 |
|
A new pyroxene structure at high pressure: Single-crystal X-ray and Raman study |
|
of the Pbcn - P2_1cn phase transition in protopyroxene |
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Sample at P = 0.00 GPa, (Mg1.54Li.23Sc.23)Si2O6 |
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_database_code_amcsd 0002092 |
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9.2554 8.7650 5.3333 90 90 90 Pbcn |
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atom x y z occ Biso |
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Mg1 0 .0983 .75 .77 .54 |
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Sc1 0 .0983 .75 .23 .54 |
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Mg2 0 .2644 .25 .77 .73 |
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Li2 0 .2644 .25 .23 .73 |
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Si .2931 .0904 .0731 .49 |
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O1A .1189 .0920 .0799 .50 |
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O2A .3749 .2493 .0702 .79 |
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O3A .3499 .9816 .3023 .60 |
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|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Protopyroxene |
| |
Yang H, Finger L W, Conrad P G, Prewitt C T, Hazen R M |
|
American Mineralogist 84 (1999) 245-256 |
|
A new pyroxene structure at high pressure: Single-crystal X-ray and Raman study |
|
of the Pbcn - P2_1cn phase transition in protopyroxene |
|
Sample at P = 1.11 GPa, (Mg1.54Li.23Sc.23)Si2O6 |
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_database_code_amcsd 0002093 |
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9.2351 8.7310 5.3216 90 90 90 Pbcn |
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atom x y z occ Biso |
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Mg1 0 .0979 .75 .77 .55 |
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Sc1 0 .0979 .75 .23 .55 |
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Mg2 0 .2654 .25 .77 .70 |
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Li2 0 .2654 .25 .23 .70 |
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SiA .2930 .0907 .0738 .48 |
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O1A .1191 .0921 .0807 .51 |
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O2A .3744 .2510 .0711 .76 |
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O3A .3503 .9813 .3048 .62 |
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|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Protopyroxene |
| |
Yang H, Finger L W, Conrad P G, Prewitt C T, Hazen R M |
|
American Mineralogist 84 (1999) 245-256 |
|
A new pyroxene structure at high pressure: Single-crystal X-ray and Raman study |
|
of the Pbcn - P2_1cn phase transition in protopyroxene |
|
Sample at P = 2.03 GPa, (Mg1.54Li.23Sc.23)Si2O6 |
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_database_code_amcsd 0002094 |
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9.2178 8.7039 5.3119 90 90 90 Pbcn |
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atom x y z occ Biso |
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Mg1 0 .0976 .75 .77 .60 |
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Sc1 0 .0976 .75 .23 .60 |
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Mg2 0 .2656 .25 .77 .74 |
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Li2 0 .2656 .25 .23 .74 |
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SiA .2930 .0908 .0743 .49 |
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O1A .1187 .0921 .0800 .61 |
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O2A .3740 .2509 .0728 .78 |
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O3A .3509 .9811 .3051 .64 |
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|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Protopyroxene |
| |
Yang H, Finger L W, Conrad P G, Prewitt C T, Hazen R M |
|
American Mineralogist 84 (1999) 245-256 |
|
A new pyroxene structure at high pressure: Single-crystal X-ray and Raman study |
|
of the Pbcn - P2_1cn phase transition in protopyroxene |
|
Sample at P = 2.50 GPa, (Mg1.54Li.23Sc.23)Si2O6 |
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_database_code_amcsd 0002095 |
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9.1167 8.7857 5.1837 90 90 90 *P2_1cn |
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0 .25 0 |
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atom x y z occ Biso |
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Mg1 0 .0990 .7190 .77 .54 |
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Sc1 0 .0990 .7190 .23 .54 |
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Mg2 .0061 .2630 .2183 .77 .71 |
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Li2 .0061 .2630 .2183 .23 .71 |
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SiA .7019 .9111 .8700 .39 |
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SiB .2987 .0876 .0702 .43 |
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O1A .8801 .9100 .8815 .51 |
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O1B .1238 .0864 .0591 .47 |
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O2A .6227 .7585 .9578 .63 |
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O2B .3756 .2468 .1015 .77 |
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O3A .6463 .9576 .5788 .80 |
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O3B .3581 .9659 .2802 .32 |
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|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Protopyroxene |
| |
Yang H, Finger L W, Conrad P G, Prewitt C T, Hazen R M |
|
American Mineralogist 84 (1999) 245-256 |
|
A new pyroxene structure at high pressure: Single-crystal X-ray and Raman study |
|
of the Pbcn - P2_1cn phase transition in protopyroxene |
|
Sample at P = 4.22 GPa, (Mg1.54Li.23Sc.23)Si2O6 |
|
_database_code_amcsd 0002096 |
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9.0877 8.7526 5.1531 90 90 90 *P2_1cn |
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0 .25 0 |
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atom x y z occ Biso |
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Mg1 0 .0986 .7161 .77 .52 |
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Sc1 0 .0986 .7161 .23 .52 |
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Mg2 .0086 .2645 .2151 .77 .65 |
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Li2 .0086 .2645 .2151 .23 .65 |
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SiA .7016 .9106 .8651 .36 |
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SiB .2992 .0876 .0699 .40 |
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O1A .8794 .9112 .8777 .57 |
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O1B .1242 .0862 .0570 .41 |
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O2A .6228 .7589 .9590 .63 |
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O2B .376 .2470 .1034 .74 |
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O3A .6447 .9534 .5701 .79 |
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O3B .3587 .9653 .2781 .42 |
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|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Protopyroxene |
| |
Yang H, Finger L W, Conrad P G, Prewitt C T, Hazen R M |
|
American Mineralogist 84 (1999) 245-256 |
|
A new pyroxene structure at high pressure: Single-crystal X-ray and Raman study |
|
of the Pbcn - P2_1cn phase transition in protopyroxene |
|
Sample at P = 6.14 GPa, (Mg1.54Li.23Sc.23)Si2O6 |
|
_database_code_amcsd 0002097 |
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9.0548 8.7120 5.1209 90 90 90 *P2_1cn |
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0 .25 0 |
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atom x y z occ Biso |
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Mg1 0 .0979 .7133 .77 .51 |
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Sc1 0 .0979 .7133 .23 .51 |
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Mg2 .0104 .2652 .2116 .77 .65 |
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Li2 .0104 .2652 .2116 .23 .65 |
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SiA .7022 .9103 .8608 .40 |
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SiB .3002 .0880 .0688 .36 |
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O1A .8805 .9094 .8741 .40 |
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O1B .1243 .0846 .0557 .46 |
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O2A .6244 .7596 .9598 .39 |
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O2B .3757 .2497 .1063 .76 |
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O3A .6468 .9512 .5615 .77 |
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O3B .3615 .9617 .2758 .27 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Protopyroxene |
| |
Yang H, Finger L W, Conrad P G, Prewitt C T, Hazen R M |
|
American Mineralogist 84 (1999) 245-256 |
|
A new pyroxene structure at high pressure: Single-crystal X-ray and Raman study |
|
of the Pbcn - P2_1cn phase transition in protopyroxene |
|
Sample at P = 7.93 GPa, (Mg1.54Li.23Sc.23)Si2O6 |
|
_database_code_amcsd 0002098 |
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9.0219 8.6711 5.0898 90 90 90 *P2_1cn |
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0 .25 0 |
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atom x y z occ Biso |
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Mg1 0 .0977 .7105 .77 .58 |
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Sc1 0 .0977 .7105 .23 .58 |
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Mg2 .0120 .2666 .2103 .77 .74 |
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Li2 .0120 .2666 .2103 .23 .74 |
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SiA .7021 .9104 .8567 .43 |
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SiB .3001 .0886 .0682 .45 |
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O1A .8806 .9093 .8718 .32 |
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O1B .1234 .0841 .0547 .46 |
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O2A .6241 .7594 .9614 .48 |
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O2B .3758 .2489 .1104 .68 |
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O3A .6436 .9478 .5548 .56 |
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O3B .3617 .9593 .2741 .47 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Protopyroxene |
| |
Yang H, Finger L W, Conrad P G, Prewitt C T, Hazen R M |
|
American Mineralogist 84 (1999) 245-256 |
|
A new pyroxene structure at high pressure: Single-crystal X-ray and Raman study |
|
of the Pbcn - P2_1cn phase transition in protopyroxene |
|
Sample at P = 9.98 GPa, (Mg1.54Li.23Sc.23)Si2O6 |
|
_database_code_amcsd 0002099 |
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8.9921 8.6310 5.0659 90 90 90 *P2_1cn |
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0 .25 0 |
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atom x y z occ Biso |
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Mg1 0 .0968 .7087 .77 .51 |
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Sc1 0 .0968 .7087 .23 .51 |
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Mg2 .0127 .2664 .2090 .77 .68 |
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Li2 .0127 .2664 .2090 .23 .68 |
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SiA .7016 .9101 .8545 .44 |
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SiB .3006 .0884 .0669 .38 |
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O1A .8797 .9104 .8692 .58 |
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O1B .1227 .0833 .0540 .46 |
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O2A .6239 .7605 .9623 .37 |
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O2B .3741 .2498 .1109 .69 |
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O3A .6435 .9455 .5517 .60 |
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O3B .3633 .9576 .2719 .29 |
|
|
| 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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