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MgSiO3 |
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Angel R J, Finger L W, Hazen R M, Kanzaki M, Weidner D J, Liebermann R C, Veblen D R |
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American Mineralogist 74 (1989) 509-512 |
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Structure and twinning of single-crystal MgSiO3 garnet synthesized at 17 GPa and 1800 C |
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Note: majoritic or majorite-like |
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_database_code_amcsd 0001231 |
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11.501 11.501 11.480 90 90 90 *I4_1/a |
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.5 .25 .125 |
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atom x y z occ Biso |
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MgD1 .1253 .0112 .2587 1.33 |
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MgD2 0 .25 .6258 1.54 |
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MgOc1 0 0 .5 .8 .22 |
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SiOc1 0 0 .5 .2 .22 |
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MgOc2 0 0 0 .2 .22 |
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SiOc2 0 0 0 .8 .22 |
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SiT1 0 .25 .3750 1.03 |
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SiT2 0 .25 .8750 .37 |
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SiT3 .1249 .0065 .7544 .53 |
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O1 .0282 .0550 .6633 .88 |
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O2 .0380 -.0471 .8562 1.31 |
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O3 .2195 .1023 .8021 1.28 |
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O4 .2150 -.0894 .7000 .99 |
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O5 -.0588 .1617 .4680 .89 |
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O6 -.1040 .2080 .7851 1.01 |
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Topaz-OH |
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Kanzaki M |
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American Mineralogist 95 (2010) 1349-1352 |
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Crystal structure of a new high-pressure polymorph of topaz-OH |
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Locality: synthetic |
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P = 14 GPa, T = 1400 C |
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_database_code_amcsd 0017560 |
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4.72318 8.91480 2.77276 90 90 90 Pbnm |
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atom x y z occ Uiso |
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AlT .5876 .4402 .25 .01 .0163 |
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SiT .5876 .4402 .25 .20 .0163 |
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AlOc1 .5812 .8587 .25 .60 .0213 |
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SiOc1 .5812 .8587 .25 .11 .0213 |
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AlOc2 .579 .6298 .25 .07 .0163 |
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SiOc2 .579 .6298 .25 .01 .0163 |
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O1 .5891 .2482 .25 .66 .0282 |
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OH1 .5891 .2482 .25 .34 .0282 |
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O2 .2365 .5098 .25 .66 .0334 |
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OH2 .2365 .5098 .25 .34 .0334 |
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Phase-E |
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Kudoh Y, Finger L W, Hazen R M, Prewitt C T, Kanzaki M, Veblen D R |
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Physics and Chemistry of Minerals 19 (1993) 357-360 |
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Phase E: A high pressure hydrous silicate with unique |
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crystal chemistry |
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Sample: 1 |
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_database_code_amcsd 0007732 |
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2.9701 2.9701 13.882 90 90 120 R-3m |
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atom x y z occ Biso |
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Mg1 0 0 0 .664 1.50 |
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Mg2 0 0 .5 .013 1.50 |
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Si 0 0 .1296 .193 .93 |
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O 0 0 .2491 .467 2.2 |
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OH 0 0 .2491 .533 2.2 |
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Phase-E |
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Kudoh Y, Finger L W, Hazen R M, Prewitt C T, Kanzaki M, Veblen D R |
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Physics and Chemistry of Minerals 19 (1993) 357-360 |
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Phase E: A high pressure hydrous silicate with unique |
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crystal chemistry |
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Sample: 2 |
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_database_code_amcsd 0007733 |
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2.9853 2.9853 13.9482 90 90 120 R-3m |
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atom x y z occ Biso |
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Mg1 0 0 0 .687 1.54 |
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Mg2 0 0 .5 .036 1.54 |
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Si 0 0 .1300 .169 1.03 |
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O 0 0 .2503 .397 2.3 |
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OH 0 0 .2503 .603 2.3 |
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Phase-F |
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Kudoh Y, Nagase T, Sasaki S, Tanaka M, Kanzaki M |
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Physics and Chemistry of Minerals 22 (1995) 295-299 |
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Phase F, a new hydrous magnesium silicate synthesized at 1000 C |
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and 17 GPa: Crystal structure and estimated bulk modulus |
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Note: The authors withdrew this structure, it is not Phase-F |
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See PCM 24 (1997) 610 |
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_database_code_amcsd 0007918 |
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5.073 5.073 14.013 90 90 120 P6_3cm |
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atom x y z occ Biso |
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MgM1 .634 0 .321 .29 1.8 |
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SiM1 .634 0 .321 .29 1.8 |
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MgM2 .688 0 .176 .16 4.0 |
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SiM2 .688 0 .176 .16 4.0 |
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MgM3 0 0 -.026 .09 2.4 |
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SiM3 0 0 -.026 .09 2.4 |
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MgM4 1/3 2/3 -.001 .45 2.4 |
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SiM4 1/3 2/3 -.001 .45 2.4 |
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SiT1 0 0 .134 .48 1.9 |
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SiT2 2/3 1/3 .369 .18 .1 |
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O1 .357 0 .081 3.2 |
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O2 .661 0 -.088 4.3 |
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O3 1/3 2/3 .246 2.9 |
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O4 0 0 .2500 7.8 |
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CaSi2O5 |
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Kudoh Y, Kanzaki M |
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Physics and Chemistry of Minerals 25 (1998) 429-433 |
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Crystal chemical characteristics of alpha-CaSi2O5, a new high pressure |
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calcium silicate with five-coordinated silicon synthesized at 1500 C and 10 GPa |
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_database_code_amcsd 0008150 |
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7.243 7.546 6.501 81.43 84.82 69.60 P-1 |
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atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca1 -.4580 -.3196 .1820 .55 .0036 .0093 .0068 -.0014 .0019 -.0011 |
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Ca2 -.0290 -.2142 .3891 .63 .0053 .0068 .0095 .0004 .0008 .0002 |
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Si1 1/2 0 1/2 .44 .003 .007 .005 -.0008 .0021 .0004 |
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Si2 0 1/2 0 .45 .003 .009 .004 -.0026 .0020 .0013 |
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Si3 -.2474 .2223 .1993 .43 .0028 .0062 .0051 -.0002 .0018 .0017 |
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Si4 -.1983 -.0704 -.1253 .36 .0029 .0063 .0029 -.0009 .0017 .0018 |
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Si5 .3165 .4205 .3414 .42 .0020 .0064 .0045 .0005 .0018 .0025 |
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O1 .0027 .0986 .2844 .56 .006 .008 .005 -.002 .001 .007 |
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O2 .5004 .3669 .1723 .53 .000 .007 .009 .003 .004 .003 |
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O3 -.1567 -.2566 .0508 .46 .004 .007 .006 -.001 .004 -.002 |
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O4 .3012 -.3879 .4295 .84 .010 .013 .009 -.006 .002 .002 |
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O5 -.1882 .4168 .1157 .56 .001 .009 .009 .000 .004 .001 |
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O6 -.2243 .1221 -.0230 .72 .010 .012 .006 -.005 .001 .001 |
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O7 -.1014 -.4593 -.2507 .75 .003 .014 .007 .000 -.001 .002 |
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O8 -.3046 .0665 .3799 .52 .007 .009 .004 -.005 .002 .004 |
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O9 .3487 .2405 -.4750 .48 .005 .007 .005 -.002 .005 .001 |
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O10 .4000 .0161 .2447 .68 .006 .014 .005 -.003 .000 .003 |
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|
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