American Mineralogist Crystal Structure Database

22 matching records for this search.

Ferrosilite
Download hom/ferrosilite.pdf
Hugh-Jones D A, Chopelas A, Angel R J
 
Physics and Chemistry of Minerals 24 (1997) 301-310
Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes
Sample: P = 0 GPa
_database_code_amcsd 0008004
18.417 9.073 5.239 90 90 90 Pbca
atom     x     y     z Biso
FeM1 .3758 .6539 .8741  .36
FeM2 .3777 .4855 .3662  .54
SiTA .2724 .3390 .0486  .29
SiTB .4732 .3346 .7890  .22
O1a  .1847 .3340  .039  .47
O2a  .3119 .4961  .060  .52
O3a  .3023 .2360  .818  .58
O1b  .5611 .3374  .785  .35
O2b  .4330 .4804  .693  .55
O3b  .4477 .2027  .584  .48
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Ferrosilite
Download hom/ferrosilite.pdf
Hugh-Jones D A, Chopelas A, Angel R J
 
Physics and Chemistry of Minerals 24 (1997) 301-310
Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes
Sample: P = .83 GPa
_database_code_amcsd 0008005
18.3988 9.0444 5.2245 90 90 90 Pbca
atom     x     y     z Biso
FeM1 .3758 .6542 .8717  .53
FeM2 .3779 .4843 .3638  .54
SiTA .2721 .3396 .0466  .32
SiTB .4733 .3350 .7904  .19
O1a  .1856  .342  .036  .32
O2a  .3118  .499  .058  .63
O3a  .3021  .234  .813  .34
O1b  .5611  .337  .787  .42
O2b  .4316  .480  .693  .41
O3b  .4467  .204  .590  .67
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Ferrosilite
Download hom/ferrosilite.pdf
Hugh-Jones D A, Chopelas A, Angel R J
 
Physics and Chemistry of Minerals 24 (1997) 301-310
Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes
Sample: P = 1.71 GPa
_database_code_amcsd 0008006
18.370 9.006 5.2084 90 90 90 Pbca
atom     x     y     z Biso
FeM1 .3760 .6555 .8692  .44
FeM2 .3783 .4831 .3596  .45
SiTA .2716 .3397 .0438  .24
SiTB .4728 .3332 .7909  .21
O1a  .1859  .340  .031  .26
O2a  .3118  .500  .052  .77
O3a  .3016  .234  .810  .02
O1b  .5599  .336  .789  .68
O2b  .4329  .481  .691  .33
O3b  .4477  .199  .591  .12
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View JMOL 3-D Structure (permalink)
 
Ferrosilite
Download hom/ferrosilite.pdf
Hugh-Jones D A, Chopelas A, Angel R J
 
Physics and Chemistry of Minerals 24 (1997) 301-310
Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes
Sample: P = 2.84 GPa
_database_code_amcsd 0008007
18.341 8.966 5.1925 90 90 90 Pbca
atom     x     y     z Biso
FeM1 .3757 .6559 .8660  .31
FeM2 .3784 .4820 .3579  .35
SiTA .2717 .3410 .0405  .20
SiTB .4727 .3339 .7929  .24
O1a  .1848  .342  .029  .18
O2a  .3107  .501  .049  .42
O3a  .3022  .234  .807  .09
O1b  .5588  .335  .788  .17
O2b  .4334  .483  .686  .02
O3b  .4466  .197  .594  .08
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Ferrosilite
Download hom/ferrosilite.pdf
Hugh-Jones D A, Chopelas A, Angel R J
 
Physics and Chemistry of Minerals 24 (1997) 301-310
Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes
Sample: P = 3.65 GPa
_database_code_amcsd 0008008
18.311 8.939 5.181 90 90 90 Pbca
atom     x     y     z Biso
FeM1 .3759 .6563 .8644  .44
FeM2 .3787 .4812 .3557  .46
SiTA .2715 .3418  .037  .28
SiTB .4726 .3343 .7943  .32
O1a  .1839  .341  .029  .61
O2a  .3098  .502  .046  .53
O3a  .3025  .238  .804  .17
O1b  .5605  .337  .792  .67
O2b  .4329  .484  .686  .15
O3b  .4467  .197  .599  .30
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Enstatite
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Hugh-Jones D A, Chopelas A, Angel R J
 
Physics and Chemistry of Minerals 24 (1997) 301-310
Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes
Sample: P = 0.00 GPa, synthetic En60 orthopyroxene
_database_code_amcsd 0008009
18.2974 8.9040 5.2092 90 90 90 Pbca
atom     x     y     z  occ Biso
MgM1 .3759 .6547 .8729  .59  .77
FeM1 .3759 .6547 .8729  .41  .77
MgM2 .3782 .4852 .3652  .59  .77
FeM2 .3782 .4852 .3652  .41  .77
SiTA .2713 .3413 .0536       .77
SiTB .4744 .3363 .7946       .83
O1a   .182 .3385  .039       .71
O2a  .3088 .5002  .050       .75
O3a  .3012 .2280  .821      1.17
O1b   .563 .3382  .798      1.48
O2b  .4327 .4839  .692       .77
O3b  .4486 .1995  .596       .90
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Enstatite
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Hugh-Jones D A, Chopelas A, Angel R J
 
Physics and Chemistry of Minerals 24 (1997) 301-310
Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes
Sample: P = 1.54 GPa, synthetic En60 orthopyroxene
_database_code_amcsd 0008010
18.2351 8.8492 5.1839 90 90 90 Pbca
atom     x     y     z occ Biso
MgM1 .3763 .6547 .8682 .59  .61
FeM1 .3763 .6547 .8682 .41  .61
MgM2 .3780 .4840 .3606 .59  .61
FeM2 .3780 .4840 .3606 .41  .61
SiTA .2706 .3419 .0489      .58
SiTB .4736 .3362 .7969      .63
O1a   .181  .341  .034      .78
O2a   .311  .500  .047      .50
O3a   .303 .2296  .825      .45
O1b   .562  .337  .805      .99
O2b   .434  .487  .694      .59
O3b   .448 .1968  .600      .64
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Enstatite
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Hugh-Jones D A, Chopelas A, Angel R J
 
Physics and Chemistry of Minerals 24 (1997) 301-310
Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes
Sample: P = 2.50 GPa, synthetic En60 orthopyroxene
_database_code_amcsd 0008011
18.197 8.820 5.171 90 90 90 Pbca
atom     x     y     z occ Biso
MgM1 .3758 .6568 .8663 .59  .36
FeM1 .3758 .6568 .8663 .41  .36
MgM2 .3783 .4826 .3597 .59  .33
FeM2 .3783 .4826 .3597 .41  .33
SiTA .2711 .3418 .0458      .26
SiTB .4732 .3353 .7980      .24
O1a  .1832 .3393  .034      .36
O2a  .3103 .5023  .047      .29
O3a  .3037 .2282  .823      .07
O1b  .5617 .3364  .801      .45
O2b  .4335 .4828  .691      .40
O3b  .4471 .1962  .603      .26
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View JMOL 3-D Structure (permalink)
 
Enstatite
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Hugh-Jones D A, Chopelas A, Angel R J
 
Physics and Chemistry of Minerals 24 (1997) 301-310
Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes
Sample: P = 3.17 GPa, synthetic En60 orthopyroxene
_database_code_amcsd 0008012
18.174 8.7953 5.1608 90 90 90 Pbca
atom     x     y     z occ Biso
MgM1 .3758 .6553 .8650 .59  .54
FeM1 .3758 .6553 .8650 .41  .54
MgM2 .3776 .4819 .3569 .59  .57
FeM2 .3776 .4819 .3569 .41  .57
SiTA .2698 .3428 .0455      .46
SiTB .4732 .3361 .7980      .44
O1a   .181  .340  .027      .51
O2a   .312 .5034  .044      .37
O3a  .3023  .230  .821      .76
O1b   .564  .341  .821      .76
O2b  .4337 .4862  .692      .27
O3b  .4479  .196  .603      .18
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Enstatite
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Hugh-Jones D A, Chopelas A, Angel R J
 
Physics and Chemistry of Minerals 24 (1997) 301-310
Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes
Sample: P = 4.14 GPa, synthetic En60 orthopyroxene
_database_code_amcsd 0008013
18.1418 8.7682 5.1495 90 90 90 Pbca
atom     x     y     z occ Biso
MgM1 .3758 .6561 .8647 .59  .69
FeM1 .3758 .6561 .8647 .41  .69
MgM2 .3784 .4827 .3570 .59  .50
FeM2 .3784 .4827 .3570 .41  .50
SiTA .2719 .3438 .0430      .31
SiTB .4729 .3359 .8000      .40
O1a  .1827  .338  .028      .28
O2a  .3108  .507  .042      .39
O3a  .3031  .232  .820      .43
O1b  .5605  .339  .798      .54
O2b  .4334  .487  .688      .18
O3b  .4454  .194  .607      .24
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View JMOL 3-D Structure (permalink)
 
Enstatite
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Hugh-Jones D A, Chopelas A, Angel R J
 
Physics and Chemistry of Minerals 24 (1997) 301-310
Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes
Sample: P = 4.76 GPa, synthetic En60 orthopyroxene
_database_code_amcsd 0008014
18.124 8.754 5.144 90 90 90 Pbca
atom     x     y     z occ Biso
MgM1 .3761 .6570 .8626 .59  .47
FeM1 .3761 .6570 .8626 .41  .47
MgM2 .3782 .4813 .3570 .59  .55
FeM2 .3782 .4813 .3570 .41  .55
SiTA .2710 .3419 .0424      .49
SiTB .4731 .3363 .8000      .32
O1a  .1830  .340  .031      .27
O2a  .3085  .509  .038      .69
O3a  .3023  .230  .813      .02
O1b  .5619  .337  .801      .68
O2b  .4330  .486  .688      .02
O3b  .4458  .195  .605      .01
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Enstatite
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Hugh-Jones D A, Chopelas A, Angel R J
 
Physics and Chemistry of Minerals 24 (1997) 301-310
Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes
Sample: P = 5.77 GPa, synthetic En60 orthopyroxene
_database_code_amcsd 0008015
18.0912 8.724 5.1315 90 90 90 Pbca
atom     x     y     z occ Biso
MgM1 .3760 .6566 .8625 .59  .07
FeM1 .3760 .6566 .8625 .41  .07
MgM2 .3784 .4809 .3350 .59  .05
FeM2 .3784 .4809 .3350 .41  .05
SiTA .2710 .3432 .0407      .01
SiTB .4729 .3373 .7996      .01
O1a  .1826  .340  .030      .04
O2a  .3097  .507  .040      .24
O3a  .3038  .229  .817      .03
O1b  .5611  .337  .804      .18
O2b  .4334  .481  .689      .04
O3b  .4455  .190  .605      .00
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Enstatite
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Hugh-Jones D A, Chopelas A, Angel R J
 
Physics and Chemistry of Minerals 24 (1997) 301-310
Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes
Sample: P = 6.59 GPa, synthetic En60 orthopyroxene
_database_code_amcsd 0008016
18.0665 8.706 5.1236 90 90 90 Pbca
atom     x     y     z occ Biso
MgM1 .3763 .6576 .8612 .59  .06
FeM1 .3763 .6576 .8612 .41  .06
MgM2 .3783 .4802 .3544 .59  .06
FeM2 .3783 .4802 .3544 .41  .06
SiTA .2712 .3413 .0393      .01
SiTB .4729 .3377 .8010      .02
O1a  .1827  .340  .028      .05
O2a  .3091  .506  .040      .10
O3a  .3043  .230  .815      .07
O1b  .5614  .339  .806      .06
O2b  .4337  .485  .687      .07
O3b  .4454  .194  .608      .24
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Enstatite
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Hugh-Jones D A, Chopelas A, Angel R J
 
Physics and Chemistry of Minerals 24 (1997) 301-310
Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes
Sample: P = 7.50 GPa, synthetic En60 orthopyroxene
_database_code_amcsd 0008017
18.035 8.682 5.1138 90 90 90 Pbca
atom     x     y     z occ Biso
MgM1 .3764 .6576 .8595 .59  .23
FeM1 .3764 .6576 .8595 .41  .23
MgM2 .3783 .4797 .3534 .59  .21
FeM2 .3783 .4797 .3534 .41  .21
SiTA .2706 .3434 .0381      .24
SiTB .4732 .3374 .8018      .28
O1a  .1834  .338  .027      .50
O2a  .3087  .508  .038      .47
O3a  .3042 .2273  .815      .25
O1b  .5596  .339  .803      .33
O2b  .4342  .485  .688      .30
O3b  .4450 .1921  .611      .35
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Enstatite
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Hugh-Jones D A, Chopelas A, Angel R J
 
Physics and Chemistry of Minerals 24 (1997) 301-310
Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes
Sample: P = 0.00 GPa, natural orthopyroxene
_database_code_amcsd 0008018
18.231 8.8095 5.1873 90 90 90 Pbca
atom     x     y     z  occ Biso
MgM1 .3757 .6529 .8652       .08
MgM2 .3785 .4842 .3582  .66  .08
FeM2 .3785 .4842 .3582  .24  .08
CaM2 .3785 .4842 .3582 .012  .08
AlM2 .3785 .4842 .3582  .08  .08
SiTA .2701 .3424 .0491  .97  .00
AlTA .2701 .3424 .0491  .03  .00
SiTB .4740 .3377 .8013  .97  .16
AlTB .4740 .3377 .8013  .03  .16
O1a   .182  .340  .031       .20
O2a   .312  .502  .050       .20
O3a   .303 .2254  .826       .20
O1b   .565  .338  .806       .20
O2b   .435 .4856  .691       .20
O3b   .446 .1943  .605       .20
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View JMOL 3-D Structure (permalink)
 
Enstatite
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Hugh-Jones D A, Chopelas A, Angel R J
 
Physics and Chemistry of Minerals 24 (1997) 301-310
Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes
Sample: P = 1.04 GPa, natural orthopyroxene
_database_code_amcsd 0008019
18.189 8.7765 5.1723 90 90 90 Pbca
atom     x     y     z  occ Biso
MgM1 .3754 .6542 .8623       .06
MgM2 .3780 .4844 .3572  .66  .07
FeM2 .3780 .4844 .3572  .24  .07
CaM2 .3780 .4844 .3572 .012  .07
AlM2 .3780 .4844 .3572  .08  .07
SiTA .2703 .3429 .0479  .97  .01
AlTA .2703 .3429 .0479  .03  .01
SiTB .4752 .3369 .8022  .97  .01
AlTB .4752 .3369 .8022  .03  .01
O1a   .181 .3399  .032       .07
O2a   .308 .5036  .046       .07
O3a   .303  .225  .825       .07
O1b   .568  .338  .804       .07
O2b   .432  .483  .689       .07
O3b   .445  .191  .606       .07
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Enstatite
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Hugh-Jones D A, Chopelas A, Angel R J
 
Physics and Chemistry of Minerals 24 (1997) 301-310
Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes
Sample: P = 1.90 GPa, natural orthopyroxene
_database_code_amcsd 0008020
18.160 8.7503 5.1606 90 90 90 Pbca
atom     x     y     z  occ Biso
MgM1  .376 .6541  .863       .10
MgM2 .3792 .4830 .3546  .66  .10
FeM2 .3792 .4830 .3546  .24  .10
CaM2 .3792 .4830 .3546 .012  .10
AlM2 .3792 .4830 .3546  .08  .10
SiTA  .268 .3424 .0458  .97  .05
AlTA  .268 .3424 .0458  .03  .05
SiTB .4752 .3371 .8025  .97  .05
AlTB .4752 .3371 .8025  .03  .05
O1a   .179  .343  .024       .27
O2a   .309  .506  .042       .27
O3a   .301  .223  .819       .27
O1b   .566  .339  .814       .27
O2b   .429  .485  .692       .27
O3b   .445  .192  .609       .27
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View JMOL 3-D Structure (permalink)
 
Enstatite
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Hugh-Jones D A, Chopelas A, Angel R J
 
Physics and Chemistry of Minerals 24 (1997) 301-310
Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes
Sample: P = 3.00 GPa, natural orthopyroxene
_database_code_amcsd 0008021
18.115 8.7184 5.1472 90 90 90 Pbca
atom     x     y     z  occ Biso
MgM1  .374 .6541  .861       .23
MgM2 .3783 .4821 .3523  .66  .23
FeM2 .3783 .4821 .3523  .24  .23
CaM2 .3783 .4821 .3523 .012  .23
AlM2 .3783 .4821 .3523  .08  .23
SiTA  .269 .3433 .0435  .97  .09
AlTA  .269 .3433 .0435  .03  .09
SiTB .4750 .3379 .8031  .97  .09
AlTB .4750 .3379 .8031  .03  .09
O1a   .177  .339  .029       .25
O2a   .311  .506  .036       .25
O3a   .303  .228  .821       .25
O1b   .567  .341  .809       .25
O2b   .432  .488  .691       .25
O3b   .451  .191  .611       .25
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View JMOL 3-D Structure (permalink)
 
Enstatite
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Hugh-Jones D A, Chopelas A, Angel R J
 
Physics and Chemistry of Minerals 24 (1997) 301-310
Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes
Sample: P = 4.03 GPa, natural orthopyroxene
_database_code_amcsd 0008022
18.077 8.6907 5.1349 90 90 90 Pbca
atom    x     y     z  occ Biso
MgM1 .377 .6550  .860       .16
MgM2 .378 .4818 .3525  .66  .16
FeM2 .378 .4818 .3525  .24  .16
CaM2 .378 .4818 .3525 .012  .16
AlM2 .378 .4818 .3525  .08  .16
SiTA .271 .3431  .040  .97  .04
AlTA .271 .3431  .040  .03  .04
SiTB .473 .3385  .804  .97  .04
AlTB .473 .3385  .804  .03  .04
O1a  .181  .338  .031       .27
O2a  .310  .508  .039       .27
O3a  .305  .227  .819       .27
O1b  .562  .336  .809       .27
O2b  .433  .486  .691       .27
O3b  .444  .192  .609       .27
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View JMOL 3-D Structure (permalink)
 
Enstatite
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Hugh-Jones D A, Chopelas A, Angel R J
 
Physics and Chemistry of Minerals 24 (1997) 301-310
Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes
Sample: P = 4.93 GPa, natural orthopyroxene
_database_code_amcsd 0008023
18.051 8.6683 5.1244 90 90 90 Pbca
atom     x     y     z  occ Biso
MgM1  .378 .6558  .858       .01
MgM2 .3762 .4815 .3522  .66  .03
FeM2 .3762 .4815 .3522  .24  .03
CaM2 .3762 .4815 .3522 .012  .03
AlM2 .3762 .4815 .3522  .08  .03
SiTA  .270 .3441  .040  .97  .11
AlTA  .270 .3441  .040  .03  .11
SiTB  .472 .3389 .8033  .97  .11
AlTB  .472 .3389 .8033  .03  .11
O1a   .179  .339  .021       .27
O2a   .304  .509  .040       .27
O3a   .302  .228  .819       .27
O1b   .562  .337  .811       .27
O2b   .430  .487  .690       .27
O3b   .448  .191  .613       .27
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View JMOL 3-D Structure (permalink)
 
Enstatite
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Hugh-Jones D A, Chopelas A, Angel R J
 
Physics and Chemistry of Minerals 24 (1997) 301-310
Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes
Sample: P = 6.01 GPa, natural orthopyroxene
_database_code_amcsd 0008024
18.00 8.642 5.115 90 90 90 Pbca
atom     x     y    z  occ Biso
MgM1  .376 .6583 .856       .16
MgM2 .3771 .4804 .351  .66  .16
FeM2 .3771 .4804 .351  .24  .16
CaM2 .3771 .4804 .351 .012  .16
AlM2 .3771 .4804 .351  .08  .16
SiTA  .268 .3423 .040  .97  .22
AlTA  .268 .3423 .040  .03  .22
SiTB  .475 .3365 .804  .97  .22
AlTB  .475 .3365 .804  .03  .22
O1a   .178  .342 .027       .47
O2a   .306  .509 .034       .47
O3a   .304  .225 .818       .47
O1b   .567  .337 .812       .47
O2b   .432  .487 .689       .47
O3b   .446  .190 .611       .47
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Enstatite
Download hom/enstatite.pdf
Angel R J, Chopelas A, Ross N L
 
Nature 358 (1992) 322-324
Stability of high-density clinoenstatite at upper-mantle pressures
Sample: P = 7.93 GPa
_database_code_amcsd 0014680
9.201 8.621 4.908 90 101.50 90 C2/c
atom     x     y     z Biso
Si   .2988 .0915 .2112  .29
Mg1      0 .9057   .25  .37
Mg2      0 .2742   .25  .57
O1   .1215 .0914  .139   .4
O2    .380 .2376  .367   .4
O3    .357 .0613  .915   .3
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Total number of retrieved datasets: 22
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