|
BaCuSi2O6 |
| |
Finger L W, Hazen R M, Hemley R J |
 |
American Mineralogist 74 (1989) 952-955 |
|
BaCuSi2O6: a new cyclosilicate with four-membered tetrahedral rings |
|
_database_code_amcsd 0001264 |
|
7.042 7.042 11.133 90 90 90 I-4m2 |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ba1 .5 0 .25 .00650 .00650 .00238 0 0 0 |
|
Ba2 0 .5 .25 .00650 .00650 .00119 0 0 0 |
|
Cu 0 0 .1225 .00489 .00071 .00210 0 0 0 |
|
Si .2759 .2759 0 .00166 .00166 .00210 -.00025 .00096 -.00096 |
|
O1 .2185 .1645 .1190 .00857 .01210 .00282 -.00756 -.00032 .00159 |
|
O2 .7429 0 .5300 .00706 .00252 .00383 0 .00064 0 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cummingtonite |
 |
Yang H, Hazen R M, Prewitt C T, Finger L W, Lu R, Hemley R J |
|
American Mineralogist 83 (1998) 288-299 |
|
High-pressure single-crystal X-ray diffraction and infrared spectroscopic |
|
studies of the C2/m-P2_1/m phase transition in cummingtonite |
|
Sample: P = 0.00 GPa, in air |
|
_database_code_amcsd 0001970 |
|
9.5220 18.1833 5.3184 90 102.020 90 C2/m |
|
atom x y z occ Biso |
|
Fe1 0 .0874 .5 .405 .75 |
|
Mg1 0 .0874 .5 .595 .75 |
|
Fe2 0 .1776 0 .207 .78 |
|
Mg2 0 .1776 0 .789 .78 |
|
Al2 0 .1776 0 .004 .78 |
|
Fe3 0 0 0 .393 .61 |
|
Mg3 0 0 0 .607 .61 |
|
Fe4 0 .2592 .5 .927 .93 |
|
Mg4 0 .2592 .5 .035 .93 |
|
Ca4 0 .2592 .5 .038 .93 |
|
Si1 .2865 .0841 .2735 .67 |
|
Si2 .2972 .1685 .7800 .60 |
|
O1 .1139 .0875 .2070 .76 |
|
O2 .1243 .1729 .7181 .90 |
|
O3 .1181 0 .7081 .87 |
|
O4 .3808 .2450 .7682 .95 |
|
O5 .3518 .1302 .0622 .86 |
|
O6 .3504 .1190 .5558 1.17 |
|
O7 .3433 0 .2723 .94 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cummingtonite |
|
Yang H, Hazen R M, Prewitt C T, Finger L W, Lu R, Hemley R J |
|
American Mineralogist 83 (1998) 288-299 |
|
High-pressure single-crystal X-ray diffraction and infrared spectroscopic |
|
studies of the C2/m-P2_1/m phase transition in cummingtonite |
|
Sample: P = 0.60 GPa |
|
_database_code_amcsd 0001971 |
|
9.4890 18.1508 5.3102 90 102.210 90 C2/m |
|
atom x y z occ Biso |
|
Fe1 0 .0871 .5 .405 .69 |
|
Mg1 0 .0871 .5 .595 .69 |
|
Fe2 0 .1776 0 .207 .71 |
|
Mg2 0 .1776 0 .789 .71 |
|
Al2 0 .1776 0 .004 .71 |
|
Fe3 0 0 0 .393 .70 |
|
Mg3 0 0 0 .607 .70 |
|
Fe4 0 .2590 .5 .927 .92 |
|
Mg4 0 .2590 .5 .035 .92 |
|
Ca4 0 .2590 .5 .038 .92 |
|
Si1 .2883 .0840 .2757 .60 |
|
Si2 .2978 .1686 .7818 .63 |
|
O1 .1160 .0871 .2096 .79 |
|
O2 .1266 .1724 .7202 .69 |
|
O3 .1166 0 .7093 .80 |
|
O4 .3807 .2451 .7675 1.07 |
|
O5 .3527 .1309 .0640 .85 |
|
O6 .3524 .1184 .5607 1.24 |
|
O7 .3432 0 .2694 1.02 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cummingtonite |
|
Yang H, Hazen R M, Prewitt C T, Finger L W, Lu R, Hemley R J |
|
American Mineralogist 83 (1998) 288-299 |
|
High-pressure single-crystal X-ray diffraction and infrared spectroscopic |
|
studies of the C2/m-P2_1/m phase transition in cummingtonite |
|
Sample: P = 1.10 GPa |
|
_database_code_amcsd 0001972 |
|
9.4638 18.1333 5.3022 90 102.372 90 C2/m |
|
atom x y z occ Biso |
|
Fe1 0 .0869 .5 .405 .76 |
|
Mg1 0 .0869 .5 .595 .76 |
|
Fe2 0 .1770 0 .207 .65 |
|
Mg2 0 .1770 0 .789 .65 |
|
Al2 0 .1770 0 .004 .65 |
|
Fe3 0 0 0 .393 .71 |
|
Mg3 0 0 0 .607 .71 |
|
Fe4 0 .2591 .5 .927 .90 |
|
Mg4 0 .2591 .5 .035 .90 |
|
Ca4 0 .2591 .5 .038 .90 |
|
Si1 .2890 .0840 .2764 .61 |
|
Si2 .2979 .1686 .7823 .68 |
|
O1 .1179 .0871 .2105 .62 |
|
O2 .1276 .1727 .7220 .83 |
|
O3 .1174 0 .7079 .89 |
|
O4 .3801 .2454 .7663 1.08 |
|
O5 .3534 .1314 .0677 .83 |
|
O6 .3530 .1182 .5625 1.17 |
|
O7 .3447 0 .2709 .72 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cummingtonite |
|
Yang H, Hazen R M, Prewitt C T, Finger L W, Lu R, Hemley R J |
|
American Mineralogist 83 (1998) 288-299 |
|
High-pressure single-crystal X-ray diffraction and infrared spectroscopic |
|
studies of the C2/m-P2_1/m phase transition in cummingtonite |
|
Sample: P = 1.32 GPa |
|
_database_code_amcsd 0001973 |
|
9.4498 18.1083 5.2978 90 102.417 90 P2_1/m |
|
atom x y z occ Biso |
|
Fe1 -.2458 .3370 .4938 .405 .66 |
|
Mg1 -.2458 .3370 .4938 .595 .66 |
|
Fe2 -.2521 .4268 .9940 .207 .73 |
|
Mg2 -.2521 .4268 .9940 .789 .73 |
|
Al2 -.2521 .4268 .9940 .004 .73 |
|
Fe3 -.2516 .25 .9895 .393 .64 |
|
Mg3 -.2516 .25 .9895 .607 .64 |
|
Fe4 -.2604 .5093 .4841 .927 .78 |
|
Mg4 -.2604 .5093 .4841 .035 .78 |
|
Ca4 -.2604 .5093 .4841 .038 .78 |
|
Si1A .0430 .3364 .2768 .60 |
|
Si1B .5352 .8315 .2768 .51 |
|
Si2A .0516 .4198 .7808 .65 |
|
Si2B .5453 .9175 .7847 .74 |
|
O1A -.1353 .3395 .2194 .73 |
|
O1B .3683 .8343 .2022 .66 |
|
O2A -.1279 .4253 .7101 .56 |
|
O2B .3811 .9198 .7315 .62 |
|
O3A -.1176 .25 .7216 .76 |
|
O3B .3574 .75 .6985 .66 |
|
O4A .1327 .4961 .7701 1.11 |
|
O4B .6262 .9953 .7639 1.19 |
|
O5A .1059 .3774 .0463 .69 |
|
O5B .5976 .8862 .0833 .75 |
|
O6A .1025 .3744 .5489 .93 |
|
O6B .6065 .8615 .5796 1.08 |
|
O7A .0909 .25 .2880 .64 |
|
O7B .6027 .75 .2526 .54 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cummingtonite |
|
Yang H, Hazen R M, Prewitt C T, Finger L W, Lu R, Hemley R J |
|
American Mineralogist 83 (1998) 288-299 |
|
High-pressure single-crystal X-ray diffraction and infrared spectroscopic |
|
studies of the C2/m-P2_1/m phase transition in cummingtonite |
|
Sample: P = 2.97 GPa |
|
_database_code_amcsd 0001974 |
|
9.3798 18.0078 5.2659 90 102.723 90 P2_1/m |
|
atom x y z occ Biso |
|
Fe1 -.2491 .3367 .4858 .405 .72 |
|
Mg1 -.2491 .3367 .4858 .595 .72 |
|
Fe2 -.2510 .4262 .9837 .207 .74 |
|
Mg2 -.2510 .4262 .9837 .789 .74 |
|
Al2 -.2510 .4262 .9837 .004 .74 |
|
Fe3 -.2477 .25 .9873 .393 .70 |
|
Mg3 -.2477 .25 .9873 .607 .70 |
|
Fe4 -.2564 .5101 .4793 .927 .89 |
|
Mg4 -.2564 .5101 .4793 .035 .89 |
|
Ca4 -.2564 .5101 .4793 .038 .89 |
|
Si1A .0417 .3345 .2633 .71 |
|
Si1B .5426 .8335 .2960 .52 |
|
Si2A .0465 .4204 .7705 .67 |
|
Si2B .5525 .9169 .8017 .66 |
|
O1A -.1297 .3359 .2012 1.24 |
|
O1B .3666 .8375 .2207 .56 |
|
O2A -.1284 .4218 .7014 .56 |
|
O2B .3820 .9218 .7413 1.03 |
|
O3A -.1234 .25 .7034 1.25 |
|
O3B .3674 .75 .7261 .57 |
|
O4A .1284 .4991 .7789 .79 |
|
O4B .6314 .9927 .7584 1.15 |
|
O5A .1079 .3737 .0365 .74 |
|
O5B .6028 .8896 .0993 .47 |
|
O6A .1095 .3777 .5346 .97 |
|
O6B .6031 .8589 .5978 .99 |
|
O7A .0985 .25 .2938 .49 |
|
O7B .6051 .75 .2587 .85 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cummingtonite |
|
Yang H, Hazen R M, Prewitt C T, Finger L W, Lu R, Hemley R J |
|
American Mineralogist 83 (1998) 288-299 |
|
High-pressure single-crystal X-ray diffraction and infrared spectroscopic |
|
studies of the C2/m-P2_1/m phase transition in cummingtonite |
|
Sample: P = 5.09 GPa |
|
_database_code_amcsd 0001975 |
|
9.2993 17.8900 5.2321 90 102.979 90 P2_1/m |
|
atom x y z occ Biso |
|
Fe1 -.2497 .3364 .4800 .405 .57 |
|
Mg1 -.2497 .3364 .4800 .595 .57 |
|
Fe2 -.2522 .4253 .9785 .207 .77 |
|
Mg2 -.2522 .4253 .9785 .789 .77 |
|
Al2 -.2522 .4253 .9785 .004 .77 |
|
Fe3 -.2492 .25 .9829 .393 .71 |
|
Mg3 -.2492 .25 .9829 .607 .71 |
|
Fe4 -.2577 .5107 .4715 .927 .68 |
|
Mg4 -.2577 .5107 .4715 .035 .68 |
|
Ca4 -.2577 .5107 .4715 .038 .68 |
|
Si1A .0434 .3347 .2591 .56 |
|
Si1B .5464 .8330 .3051 .70 |
|
Si2A .0461 .4208 .7656 .72 |
|
Si2B .5545 .9167 .8084 .63 |
|
O1A -.1322 .3356 .1933 1.03 |
|
O1B .3700 .8370 .2262 .81 |
|
O2A -.1259 .4215 .6986 .55 |
|
O2B .3790 .9211 .7446 .68 |
|
O3A -.1292 .25 .6951 .75 |
|
O3B .3743 .75 .7300 .83 |
|
O4A .1241 .4993 .7863 .79 |
|
O4B .6333 .9933 .7536 .67 |
|
O5A .1096 .3718 .0281 .81 |
|
O5B .6098 .8918 .1170 .63 |
|
O6A .1126 .3817 .5277 .76 |
|
O6B .6038 .8561 .6099 .91 |
|
O7A .1066 .25 .3033 .96 |
|
O7B .6057 .75 .2616 .75 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cummingtonite |
|
Yang H, Hazen R M, Prewitt C T, Finger L W, Lu R, Hemley R J |
|
American Mineralogist 83 (1998) 288-299 |
|
High-pressure single-crystal X-ray diffraction and infrared spectroscopic |
|
studies of the C2/m-P2_1/m phase transition in cummingtonite |
|
Sample: P = 7.90 GPa |
|
_database_code_amcsd 0001976 |
|
9.2099 17.7605 5.1930 90 103.173 90 P2_1/m |
|
atom x y z occ Biso |
|
Fe1 -.2510 .3359 .4736 .405 .59 |
|
Mg1 -.2510 .3359 .4736 .595 .59 |
|
Fe2 -.2516 .4249 .9756 .207 .64 |
|
Mg2 -.2516 .4249 .9756 .789 .64 |
|
Al2 -.2516 .4249 .9756 .004 .64 |
|
Fe3 -.2489 .25 .9755 .393 .62 |
|
Mg3 -.2489 .25 .9755 .607 .62 |
|
Fe4 -.2602 .5107 .4657 .927 .67 |
|
Mg4 -.2602 .5107 .4657 .035 .67 |
|
Ca4 -.2602 .5107 .4657 .038 .67 |
|
Si1A .0454 .3342 .2561 .54 |
|
Si1B .5502 .8329 .3118 .68 |
|
Si2A .0458 .4214 .7618 .59 |
|
Si2B .5558 .9163 .8132 .61 |
|
O1A -.1305 .3360 .1873 .82 |
|
O1B .3724 .8361 .2344 .68 |
|
O2A -.1283 .4210 .6968 .79 |
|
O2B .3821 .9208 .7480 .81 |
|
O3A -.1251 .25 .6896 .71 |
|
O3B .3728 .75 .7367 .76 |
|
O4A .1222 .5022 .7859 .53 |
|
O4B .6322 .9932 .7545 .83 |
|
O5A .1117 .3692 .0176 .96 |
|
O5B .6100 .8930 .1259 .90 |
|
O6A .1134 .3842 .5194 .75 |
|
O6B .6093 .8527 .6215 .59 |
|
O7A .1118 .25 .3141 .93 |
|
O7B .6091 .75 .2542 .44 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Seifertite |
| |
Dera P, Prewitt C T, Boctor N Z, Hemley R J |
|
American Mineralogist 87 (2002) 1018-1023 |
|
Characterization of a high-pressure phase of silica from the |
|
Martian meteorite Shergotty |
|
alpha-PbO2-like |
|
_database_code_amcsd 0002871 |
|
4.097 5.0462 4.4946 90 90 90 Pbcn |
|
atom x y z Biso |
|
Si 0 .1522 .25 .8 |
|
O .7336 .6245 .9186 .1 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Neon |
| |
Hemley R J, Zha C S, Jephcoat A P, Mao H K, Finger L W, Cox D E |
| |
Physical Review B - Condensed Matter 39 (1989) 11820-11827 |
|
X-ray diffraction and equation of state of solid neon to 110 GPa |
|
Locality: synthetic |
|
Sample: at T = 300 K and P = 10 GPa |
|
_database_code_amcsd 0015239 |
|
3.567 3.567 3.567 90 90 90 Fm3m |
|
atom x y z |
|
Ne 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Neon |
| |
Hemley R J, Zha C S, Jephcoat A P, Mao H K, Finger L W, Cox D E |
| |
Physical Review B - Condensed Matter 39 (1989) 11820-11827 |
|
X-ray diffraction and equation of state of solid neon to 110 GPa |
|
Locality: synthetic |
|
Sample: at T = 300 K and P = 20 GPa |
|
_database_code_amcsd 0015240 |
|
3.400 3.400 3.400 90 90 90 Fm3m |
|
atom x y z |
|
Ne 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Neon |
| |
Hemley R J, Zha C S, Jephcoat A P, Mao H K, Finger L W, Cox D E |
| |
Physical Review B - Condensed Matter 39 (1989) 11820-11827 |
|
X-ray diffraction and equation of state of solid neon to 110 GPa |
|
Locality: synthetic |
|
Sample: at T = 300 K and P = 27.1 GPa |
|
_database_code_amcsd 0015241 |
|
3.315 3.315 3.315 90 90 90 Fm3m |
|
atom x y z |
|
Ne 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Neon |
| |
Hemley R J, Zha C S, Jephcoat A P, Mao H K, Finger L W, Cox D E |
| |
Physical Review B - Condensed Matter 39 (1989) 11820-11827 |
|
X-ray diffraction and equation of state of solid neon to 110 GPa |
|
Locality: synthetic |
|
Sample: at T = 300 K and P = 31 GPa |
|
_database_code_amcsd 0015242 |
|
3.258 3.258 3.258 90 90 90 Fm3m |
|
atom x y z |
|
Ne 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Neon |
| |
Hemley R J, Zha C S, Jephcoat A P, Mao H K, Finger L W, Cox D E |
| |
Physical Review B - Condensed Matter 39 (1989) 11820-11827 |
|
X-ray diffraction and equation of state of solid neon to 110 GPa |
|
Locality: synthetic |
|
Sample: at T = 300 K and P = 35.6 GPa |
|
_database_code_amcsd 0015243 |
|
3.230 3.230 3.230 90 90 90 Fm3m |
|
atom x y z |
|
Ne 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Neon |
| |
Hemley R J, Zha C S, Jephcoat A P, Mao H K, Finger L W, Cox D E |
| |
Physical Review B - Condensed Matter 39 (1989) 11820-11827 |
|
X-ray diffraction and equation of state of solid neon to 110 GPa |
|
Locality: synthetic |
|
Sample: at T = 300 K and P = 40.3 GPa |
|
_database_code_amcsd 0015244 |
|
3.190 3.190 3.190 90 90 90 Fm3m |
|
atom x y z |
|
Ne 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Neon |
| |
Hemley R J, Zha C S, Jephcoat A P, Mao H K, Finger L W, Cox D E |
| |
Physical Review B - Condensed Matter 39 (1989) 11820-11827 |
|
X-ray diffraction and equation of state of solid neon to 110 GPa |
|
Locality: synthetic |
|
Sample: at T = 300 K and P = 51.5 GPa |
|
_database_code_amcsd 0015245 |
|
3.139 3.139 3.139 90 90 90 Fm3m |
|
atom x y z |
|
Ne 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Neon |
| |
Hemley R J, Zha C S, Jephcoat A P, Mao H K, Finger L W, Cox D E |
| |
Physical Review B - Condensed Matter 39 (1989) 11820-11827 |
|
X-ray diffraction and equation of state of solid neon to 110 GPa |
|
Locality: synthetic |
|
Sample: at T = 300 K and P = 56.9 GPa |
|
_database_code_amcsd 0015246 |
|
3.111 3.111 3.111 90 90 90 Fm3m |
|
atom x y z |
|
Ne 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Neon |
| |
Hemley R J, Zha C S, Jephcoat A P, Mao H K, Finger L W, Cox D E |
| |
Physical Review B - Condensed Matter 39 (1989) 11820-11827 |
|
X-ray diffraction and equation of state of solid neon to 110 GPa |
|
Locality: synthetic |
|
Sample: at T = 300 K and P = 64.4 GPa |
|
_database_code_amcsd 0015247 |
|
3.077 3.077 3.077 90 90 90 Fm3m |
|
atom x y z |
|
Ne 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Neon |
| |
Hemley R J, Zha C S, Jephcoat A P, Mao H K, Finger L W, Cox D E |
| |
Physical Review B - Condensed Matter 39 (1989) 11820-11827 |
|
X-ray diffraction and equation of state of solid neon to 110 GPa |
|
Locality: synthetic |
|
Sample: at T = 300 K and P = 74.3 GPa |
|
_database_code_amcsd 0015248 |
|
3.035 3.035 3.035 90 90 90 Fm3m |
|
atom x y z |
|
Ne 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Neon |
| |
Hemley R J, Zha C S, Jephcoat A P, Mao H K, Finger L W, Cox D E |
| |
Physical Review B - Condensed Matter 39 (1989) 11820-11827 |
|
X-ray diffraction and equation of state of solid neon to 110 GPa |
|
Locality: synthetic |
|
Sample: at T = 300 K and P = 78.3 GPa |
|
_database_code_amcsd 0015249 |
|
3.021 3.021 3.021 90 90 90 Fm3m |
|
atom x y z |
|
Ne 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Neon |
| |
Hemley R J, Zha C S, Jephcoat A P, Mao H K, Finger L W, Cox D E |
| |
Physical Review B - Condensed Matter 39 (1989) 11820-11827 |
|
X-ray diffraction and equation of state of solid neon to 110 GPa |
|
Locality: synthetic |
|
Sample: at T = 300 K and P = 82.3 GPa |
|
_database_code_amcsd 0015250 |
|
3.014 3.014 3.014 90 90 90 Fm3m |
|
atom x y z |
|
Ne 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Neon |
| |
Hemley R J, Zha C S, Jephcoat A P, Mao H K, Finger L W, Cox D E |
| |
Physical Review B - Condensed Matter 39 (1989) 11820-11827 |
|
X-ray diffraction and equation of state of solid neon to 110 GPa |
|
Locality: synthetic |
|
Sample: at T = 300 K and P = 83.5 GPa |
|
_database_code_amcsd 0015251 |
|
3.003 3.003 3.003 90 90 90 Fm3m |
|
atom x y z |
|
Ne 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Neon |
| |
Hemley R J, Zha C S, Jephcoat A P, Mao H K, Finger L W, Cox D E |
| |
Physical Review B - Condensed Matter 39 (1989) 11820-11827 |
|
X-ray diffraction and equation of state of solid neon to 110 GPa |
|
Locality: synthetic |
|
Sample: at T = 300 K and P = 87.5 GPa |
|
_database_code_amcsd 0015252 |
|
2.993 2.993 2.993 90 90 90 Fm3m |
|
atom x y z |
|
Ne 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Neon |
| |
Hemley R J, Zha C S, Jephcoat A P, Mao H K, Finger L W, Cox D E |
| |
Physical Review B - Condensed Matter 39 (1989) 11820-11827 |
|
X-ray diffraction and equation of state of solid neon to 110 GPa |
|
Locality: synthetic |
|
Sample: at T = 300 K and P = 91.1 GPa |
|
_database_code_amcsd 0015253 |
|
2.986 2.986 2.986 90 90 90 Fm3m |
|
atom x y z |
|
Ne 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Neon |
| |
Hemley R J, Zha C S, Jephcoat A P, Mao H K, Finger L W, Cox D E |
| |
Physical Review B - Condensed Matter 39 (1989) 11820-11827 |
|
X-ray diffraction and equation of state of solid neon to 110 GPa |
|
Locality: synthetic |
|
Sample: at T = 300 K and P = 94.5 GPa |
|
_database_code_amcsd 0015254 |
|
2.973 2.973 2.973 90 90 90 Fm3m |
|
atom x y z |
|
Ne 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Neon |
| |
Hemley R J, Zha C S, Jephcoat A P, Mao H K, Finger L W, Cox D E |
| |
Physical Review B - Condensed Matter 39 (1989) 11820-11827 |
|
X-ray diffraction and equation of state of solid neon to 110 GPa |
|
Locality: synthetic |
|
Sample: at T = 300 K and P = 97.7 GPa |
|
_database_code_amcsd 0015255 |
|
2.963 2.963 2.963 90 90 90 Fm3m |
|
atom x y z |
|
Ne 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Neon |
| |
Hemley R J, Zha C S, Jephcoat A P, Mao H K, Finger L W, Cox D E |
| |
Physical Review B - Condensed Matter 39 (1989) 11820-11827 |
|
X-ray diffraction and equation of state of solid neon to 110 GPa |
|
Locality: synthetic |
|
Sample: at T = 300 K and P = 101.0 GPa |
|
_database_code_amcsd 0015256 |
|
2.956 2.956 2.956 90 90 90 Fm3m |
|
atom x y z |
|
Ne 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Neon |
| |
Hemley R J, Zha C S, Jephcoat A P, Mao H K, Finger L W, Cox D E |
| |
Physical Review B - Condensed Matter 39 (1989) 11820-11827 |
|
X-ray diffraction and equation of state of solid neon to 110 GPa |
|
Locality: synthetic |
|
Sample: at T = 300 K and P = 103.7 GPa |
|
_database_code_amcsd 0015257 |
|
2.946 2.946 2.946 90 90 90 Fm3m |
|
atom x y z |
|
Ne 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Neon |
| |
Hemley R J, Zha C S, Jephcoat A P, Mao H K, Finger L W, Cox D E |
| |
Physical Review B - Condensed Matter 39 (1989) 11820-11827 |
|
X-ray diffraction and equation of state of solid neon to 110 GPa |
|
Locality: synthetic |
|
Sample: at T = 300 K and P = 107.7 GPa |
|
_database_code_amcsd 0015258 |
|
2.936 2.936 2.936 90 90 90 Fm3m |
|
atom x y z |
|
Ne 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Neon |
| |
Hemley R J, Zha C S, Jephcoat A P, Mao H K, Finger L W, Cox D E |
| |
Physical Review B - Condensed Matter 39 (1989) 11820-11827 |
|
X-ray diffraction and equation of state of solid neon to 110 GPa |
|
Locality: synthetic |
|
Sample: at T = 300 K and P = 110.4 GPa |
|
_database_code_amcsd 0015259 |
|
2.927 2.927 2.927 90 90 90 Fm3m |
|
atom x y z |
|
Ne 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hydrogen |
| |
Mao H K, Jephcoat A P, Hemley R J, Finger L W, Zha C S, Hazen R M, Cox D E |
| |
Science 239 (1988) 1131-1133 |
|
Synchrotron X-ray diffraction measurements of single-crystal hydrogen to |
|
26.5 Gigapascals |
|
Locality: synthetic |
|
Sample: at P = 5.40 GPa, T = 300 K |
|
_database_code_amcsd 0015432 |
|
2.659 2.659 4.334 90 90 120 P6_3/mmc |
|
atom x y z |
|
H 1/3 2/3 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hydrogen |
| |
Mao H K, Jephcoat A P, Hemley R J, Finger L W, Zha C S, Hazen R M, Cox D E |
| |
Science 239 (1988) 1131-1133 |
|
Synchrotron X-ray diffraction measurements of single-crystal hydrogen to |
|
26.5 Gigapascals |
|
Locality: synthetic |
|
Sample: at P = 10.1 GPa, T = 300 K |
|
_database_code_amcsd 0015433 |
|
2.5058 2.5058 4.074 90 90 120 P6_3/mmc |
|
atom x y z |
|
H 1/3 2/3 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hydrogen |
| |
Mao H K, Jephcoat A P, Hemley R J, Finger L W, Zha C S, Hazen R M, Cox D E |
| |
Science 239 (1988) 1131-1133 |
|
Synchrotron X-ray diffraction measurements of single-crystal hydrogen to |
|
26.5 Gigapascals |
|
Locality: synthetic |
|
Sample: at P = 15.0 GPa, T = 300 K |
|
_database_code_amcsd 0015434 |
|
2.393 2.393 3.885 90 90 120 P6_3/mmc |
|
atom x y z |
|
H 1/3 2/3 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hydrogen |
| |
Mao H K, Jephcoat A P, Hemley R J, Finger L W, Zha C S, Hazen R M, Cox D E |
| |
Science 239 (1988) 1131-1133 |
|
Synchrotron X-ray diffraction measurements of single-crystal hydrogen to |
|
26.5 Gigapascals |
|
Locality: synthetic |
|
Sample: at P = 21.4 GPa, T = 300 K |
|
_database_code_amcsd 0015435 |
|
2.308 2.308 3.703 90 90 120 P6_3/mmc |
|
atom x y z |
|
H 1/3 2/3 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hydrogen |
| |
Mao H K, Jephcoat A P, Hemley R J, Finger L W, Zha C S, Hazen R M, Cox D E |
| |
Science 239 (1988) 1131-1133 |
|
Synchrotron X-ray diffraction measurements of single-crystal hydrogen to |
|
26.5 Gigapascals |
|
Locality: synthetic |
|
Sample: at P = 26.5 GPa, T = 300 K |
|
_database_code_amcsd 0015436 |
|
2.259 2.259 3.609 90 90 120 P6_3/mmc |
|
atom x y z |
|
H 1/3 2/3 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Quartz |
|
Hazen R M, Finger L W, Hemley R J, Mao H K |
| |
Solid State Communications 72 (1989) 507-511 |
|
High-pressure crystal chemistry and amorphization of alpha-quartz |
|
Locality: synthetic |
|
Sample: P = 1 bar |
|
_database_code_amcsd 0015462 |
|
4.914 4.914 5.406 90 90 120 P3_121 |
|
atom x y z Biso |
|
Si1 .4699 0 1/3 .51 |
|
O1 .4130 .2668 .2140 .86 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Quartz |
|
Hazen R M, Finger L W, Hemley R J, Mao H K |
| |
Solid State Communications 72 (1989) 507-511 |
|
High-pressure crystal chemistry and amorphization of alpha-quartz |
|
Locality: synthetic |
|
Sample: P = 2.0 Gpa |
|
_database_code_amcsd 0015463 |
|
4.812 4.812 5.327 90 90 120 P3_121 |
|
atom x y z Biso |
|
Si .4646 0 1/3 .51 |
|
O .4093 .2778 .2264 .86 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Quartz |
|
Hazen R M, Finger L W, Hemley R J, Mao H K |
| |
Solid State Communications 72 (1989) 507-511 |
|
High-pressure crystal chemistry and amorphization of alpha-quartz |
|
Locality: synthetic |
|
Sample: P = 5.1 GPa |
|
_database_code_amcsd 0015464 |
|
4.705 4.705 5.250 90 90 120 P3_121 |
|
atom x y z Biso |
|
Si .4532 0 1/3 .51 |
|
O .3930 .2881 .2340 .86 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Quartz |
|
Hazen R M, Finger L W, Hemley R J, Mao H K |
| |
Solid State Communications 72 (1989) 507-511 |
|
High-pressure crystal chemistry and amorphization of alpha-quartz |
|
Locality: synthetic |
|
Sample: P = 8.0 GPa |
|
_database_code_amcsd 0015465 |
|
4.625 4.625 5.216 90 90 120 P3_121 |
|
atom x y z Biso |
|
Si .4488 0 1/3 .51 |
|
O .3978 .3052 .2406 .86 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Quartz |
|
Hazen R M, Finger L W, Hemley R J, Mao H K |
| |
Solid State Communications 72 (1989) 507-511 |
|
High-pressure crystal chemistry and amorphization of alpha-quartz |
|
Locality: synthetic |
|
Sample: P = 9.5 GPa |
|
_database_code_amcsd 0015466 |
|
4.594 4.594 5.200 90 90 120 P3_121 |
|
atom x y z Biso |
|
Si .4492 0 1/3 .51 |
|
O .3864 .2952 .2406 .86 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Quartz |
|
Hazen R M, Finger L W, Hemley R J, Mao H K |
| |
Solid State Communications 72 (1989) 507-511 |
|
High-pressure crystal chemistry and amorphization of alpha-quartz |
|
Locality: synthetic |
|
Sample: P = 12.5 GPa |
|
_database_code_amcsd 0015467 |
|
4.535 4.535 5.170 90 90 120 P3_121 |
|
atom x y z Biso |
|
Si .4487 0 1/3 .51 |
|
O .3670 .2952 .2427 .86 |
|
|
| 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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