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Pseudobrookite |
 |
Yang H, Hazen R M |
 |
American Mineralogist 84 (1999) 130-137 |
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Comparative high-pressure crystal chemistry of karrooite, MgTi2O5, with |
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different ordering states |
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Sample P600, x(Ti) in M1 = .070, P = 0 GPa |
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_database_code_amcsd 0002073 |
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9.7131 10.0190 3.7363 90 90 90 Bbmm |
|
atom x y z occ Biso |
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Mg1 .8052 .25 0 .93 .47 |
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Ti1 .8052 .25 0 .07 .47 |
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Ti2 .1335 .4332 0 .965 .38 |
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Mg2 .1335 .4332 0 .035 .38 |
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O1 .2188 .25 0 .54 |
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O2 .0459 .8865 0 .68 |
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O3 .3136 .9374 0 .56 |
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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)
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|
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Pseudobrookite |
 |
Yang H, Hazen R M |
 |
American Mineralogist 84 (1999) 130-137 |
|
Comparative high-pressure crystal chemistry of karrooite, MgTi2O5, with |
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different ordering states |
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Sample P600, x(Ti) in M1 = .070, P = 1.03 GPa |
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_database_code_amcsd 0002074 |
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9.6944 9.9924 3.7316 90 90 90 Bbmm |
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atom x y z occ Biso |
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Mg1 .8050 .25 0 .93 .51 |
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Ti1 .8050 .25 0 .07 .51 |
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Ti2 .1334 .4332 0 .965 .39 |
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Mg2 .1334 .4332 0 .035 .39 |
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O1 .2195 .25 0 .63 |
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O2 .0459 .8862 0 .71 |
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O3 .3140 .9380 0 .54 |
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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)
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|
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Pseudobrookite |
 |
Yang H, Hazen R M |
 |
American Mineralogist 84 (1999) 130-137 |
|
Comparative high-pressure crystal chemistry of karrooite, MgTi2O5, with |
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different ordering states |
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Sample P600, x(Ti) in M1 = .070, P = 2.16 GPa |
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_database_code_amcsd 0002075 |
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9.6739 9.9651 3.7265 90 90 90 Bbmm |
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atom x y z occ Biso |
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Mg1 .8046 .25 0 .93 .51 |
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Ti1 .8046 .25 0 .07 .51 |
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Ti2 .1335 .4333 0 .965 .39 |
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Mg2 .1335 .4333 0 .035 .39 |
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O1 .2197 .25 0 .56 |
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O2 .0466 .8861 0 .72 |
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O3 .3142 .9377 0 .55 |
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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)
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|
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Pseudobrookite |
 |
Yang H, Hazen R M |
 |
American Mineralogist 84 (1999) 130-137 |
|
Comparative high-pressure crystal chemistry of karrooite, MgTi2O5, with |
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different ordering states |
|
Sample P600, x(Ti) in M1 = .070, P = 3.22 GPa |
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_database_code_amcsd 0002076 |
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9.6540 9.9387 3.7218 90 90 90 Bbmm |
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atom x y z occ Biso |
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Mg1 .8045 .25 0 .93 .50 |
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Ti1 .8045 .25 0 .07 .50 |
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Ti2 .1335 .4333 0 .965 .37 |
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Mg2 .1335 .4333 0 .035 .37 |
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O1 .2197 .25 0 .56 |
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O2 .0461 .8858 0 .73 |
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O3 .3141 .9377 0 .55 |
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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)
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|
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Pseudobrookite |
 |
Yang H, Hazen R M |
 |
American Mineralogist 84 (1999) 130-137 |
|
Comparative high-pressure crystal chemistry of karrooite, MgTi2O5, with |
|
different ordering states |
|
Sample P600, x(Ti) in M1 = .070, P = 4.34 GPa |
|
_database_code_amcsd 0002077 |
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9.6349 9.9143 3.7168 90 90 90 Bbmm |
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atom x y z occ Biso |
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Mg1 .8044 .25 0 .93 .44 |
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Ti1 .8044 .25 0 .07 .44 |
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Ti2 .1336 .4334 0 .965 .35 |
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Mg2 .1336 .4334 0 .035 .35 |
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O1 .2202 .25 0 .47 |
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O2 .0465 .8856 0 .58 |
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O3 .3142 .9379 0 .54 |
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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)
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|
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Pseudobrookite |
 |
Yang H, Hazen R M |
 |
American Mineralogist 84 (1999) 130-137 |
|
Comparative high-pressure crystal chemistry of karrooite, MgTi2O5, with |
|
different ordering states |
|
Sample P600, x(Ti) in M1 = .070, P = 6.20 GPa |
|
_database_code_amcsd 0002078 |
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9.5992 9.8667 3.7085 90 90 90 Bbmm |
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atom x y z occ Biso |
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Mg1 .8039 .25 0 .93 .39 |
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Ti1 .8039 .25 0 .07 .39 |
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Ti2 .1336 .4333 0 .965 .36 |
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Mg2 .1336 .4333 0 .035 .36 |
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O1 .2210 .25 0 .71 |
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O2 .0464 .8848 0 .60 |
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O3 .3147 .9382 0 .50 |
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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)
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|
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Pseudobrookite |
 |
Yang H, Hazen R M |
 |
American Mineralogist 84 (1999) 130-137 |
|
Comparative high-pressure crystal chemistry of karrooite, MgTi2O5, with |
|
different ordering states |
|
Sample P600, x(Ti) in M1 = .070, P = 7.51 GPa |
|
_database_code_amcsd 0002079 |
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9.5754 9.8352 3.7029 90 90 90 Bbmm |
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atom x y z occ Biso |
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Mg1 .8040 .25 0 .93 .45 |
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Ti1 .8040 .25 0 .07 .45 |
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Ti2 .1337 .4334 0 .965 .42 |
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Mg2 .1337 .4334 0 .035 .42 |
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O1 .2215 .25 0 .65 |
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O2 .0467 .8846 0 .69 |
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O3 .3146 .9379 0 .50 |
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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)
|
|
|
Pseudobrookite |
 |
Yang H, Hazen R M |
 |
American Mineralogist 84 (1999) 130-137 |
|
Comparative high-pressure crystal chemistry of karrooite, MgTi2O5, with |
|
different ordering states |
|
Sample P1400, x(Ti) in M1 = .485, P = 0.00 GPa |
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_database_code_amcsd 0002080 |
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9.7602 9.9796 3.7479 90 90 90 Bbmm |
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atom x y z occ Biso |
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Mg1 .8085 .25 0 .515 .50 |
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Ti1 .8085 .25 0 .485 .50 |
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Ti2 .1357 .4369 0 .7575 .55 |
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Mg2 .1357 .4369 0 .2425 .55 |
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O1 .2341 .25 0 1.16 |
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O2 .0467 .8841 0 .83 |
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O3 .3110 .9304 0 .67 |
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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)
|
|
|
Pseudobrookite |
 |
Yang H, Hazen R M |
 |
American Mineralogist 84 (1999) 130-137 |
|
Comparative high-pressure crystal chemistry of karrooite, MgTi2O5, with |
|
different ordering states |
|
Sample P1400, x(Ti) in M1 = .485, P = 1.03 GPa |
|
_database_code_amcsd 0002081 |
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9.7392 9.9539 3.7426 90 90 90 Bbmm |
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atom x y z occ Biso |
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Mg1 .8081 .25 0 .515 .55 |
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Ti1 .8081 .25 0 .485 .55 |
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Ti2 .1357 .4368 0 .7575 .54 |
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Mg2 .1357 .4368 0 .2425 .54 |
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O1 .2338 .25 0 1.03 |
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O2 .0471 .8832 0 .87 |
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O3 .3109 .9303 0 .86 |
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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)
|
|
|
Pseudobrookite |
 |
Yang H, Hazen R M |
 |
American Mineralogist 84 (1999) 130-137 |
|
Comparative high-pressure crystal chemistry of karrooite, MgTi2O5, with |
|
different ordering states |
|
Sample P1400, x(Ti) in M1 = .485, P = 2.16 GPa |
|
_database_code_amcsd 0002082 |
|
9.7166 9.9275 3.7369 90 90 90 Bbmm |
|
atom x y z occ Biso |
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Mg1 .8081 .25 0 .515 .55 |
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Ti1 .8081 .25 0 .485 .55 |
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Ti2 .1357 .4367 0 .7575 .55 |
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Mg2 .1357 .4367 0 .2425 .55 |
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O1 .2339 .25 0 1.03 |
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O2 .0472 .8832 0 .82 |
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O3 .3112 .9301 0 .81 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
|
|
|
Pseudobrookite |
 |
Yang H, Hazen R M |
 |
American Mineralogist 84 (1999) 130-137 |
|
Comparative high-pressure crystal chemistry of karrooite, MgTi2O5, with |
|
different ordering states |
|
Sample P1400, x(Ti) in M1 = .485, P = 3.22 GPa |
|
_database_code_amcsd 0002083 |
|
9.6949 9.9022 3.7313 90 90 90 Bbmm |
|
atom x y z occ Biso |
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Mg1 .8078 .25 0 .515 .51 |
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Ti1 .8078 .25 0 .485 .51 |
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Ti2 .1358 .4368 0 .7575 .57 |
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Mg2 .1358 .4368 0 .2425 .57 |
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O1 .2342 .25 0 1.14 |
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O2 .0473 .8827 0 .94 |
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O3 .3125 .9312 0 .80 |
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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)
|
|
|
Pseudobrookite |
 |
Yang H, Hazen R M |
 |
American Mineralogist 84 (1999) 130-137 |
|
Comparative high-pressure crystal chemistry of karrooite, MgTi2O5, with |
|
different ordering states |
|
Sample P1400, x(Ti) in M1 = .485, P = 4.34 GPa |
|
_database_code_amcsd 0002084 |
|
9.6737 9.8769 3.7271 90 90 90 Bbmm |
|
atom x y z occ Biso |
|
Mg1 .8074 .25 0 .515 .49 |
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Ti1 .8074 .25 0 .485 .49 |
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Ti2 .1357 .4367 0 .7575 .48 |
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Mg2 .1357 .4367 0 .2425 .48 |
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O1 .2339 .25 0 .89 |
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O2 .0474 .8828 0 .68 |
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O3 .3123 .9307 0 .70 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
|
|
|
Pseudobrookite |
 |
Yang H, Hazen R M |
 |
American Mineralogist 84 (1999) 130-137 |
|
Comparative high-pressure crystal chemistry of karrooite, MgTi2O5, with |
|
different ordering states |
|
Sample P1400, x(Ti) in M1 = .485, P = 6.20 GPa |
|
_database_code_amcsd 0002085 |
|
9.6327 9.8302 3.7177 90 90 90 Bbmm |
|
atom x y z occ Biso |
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Mg1 .8072 .25 0 .515 .49 |
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Ti1 .8072 .25 0 .485 .49 |
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Ti2 .1358 .4365 0 .7575 .53 |
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Mg2 .1358 .4365 0 .2425 .53 |
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O1 .2344 .25 0 .71 |
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O2 .0474 .8829 0 .66 |
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O3 .3128 .9310 0 .69 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
|
|
|
Pseudobrookite |
 |
Yang H, Hazen R M |
 |
American Mineralogist 84 (1999) 130-137 |
|
Comparative high-pressure crystal chemistry of karrooite, MgTi2O5, with |
|
different ordering states |
|
Sample P1400, x(Ti) in M1 = .485, P = 7.51 GPa |
|
_database_code_amcsd 0002086 |
|
9.6080 9.8024 3.7114 90 90 90 Bbmm |
|
atom x y z occ Biso |
|
Mg1 .8066 .25 0 .515 .56 |
|
Ti1 .8066 .25 0 .485 .56 |
|
Ti2 .1357 .4367 0 .7575 .54 |
|
Mg2 .1357 .4367 0 .2425 .54 |
|
O1 .2354 .25 0 .74 |
|
O2 .0471 .8821 0 .82 |
|
O3 .3137 .9310 0 .66 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
|
|
|
Pseudobrookite |
 |
Pauling L |
|
Zeitschrift fur Kristallographie 73 (1930) 97-113 |
|
The crystal structure of pseudobrookite |
|
_cod_database_code 1011342 |
|
_database_code_amcsd 0018179 |
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3.725 9.79 9.93 90 90 90 Cmcm |
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atom x y z |
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Ti1 0 .19 .25 |
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Fe1 0 .135 .56 |
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O1 0 .73 .25 |
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O2 0 .045 .11 |
|
O3 0 .31 .095 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
|
|