|
Enstatite |
 |
Carlson W D, Swinnea J S, Miser D E |
 |
American Mineralogist 73 (1988) 1255-1263 |
|
Stability of orthoenstatite at high temperature and low pressure |
|
18.280 8.834 5.197 90 90 90 Pbca |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mg1 .3756 .6539 .8684 .0068 .0071 .0064 .0003 -.0011 .0002 |
|
Mg2 .3769 .4846 .3627 .948 .0093 .0132 .0074 -.0021 -.0019 -.0017 |
|
Ca2 .3769 .4846 .3627 .052 .0093 .0132 .0074 -.0021 -.0019 -.0017 |
|
SiA .2715 .3416 .0495 .0049 .0053 .0061 -.0006 .0005 -.0004 |
|
SiB .4741 .3379 .7967 .0052 .0060 .0059 .0006 .0002 .0002 |
|
O1A .1834 .3399 .0371 .0049 .0082 .0062 -.0001 .0001 -.0005 |
|
O2A .3107 .5019 .0435 .0085 .0075 .0073 -.0016 -.0010 .0011 |
|
O3A .3027 .2249 -.1714 .0075 .0103 .0089 -.0005 .0016 -.0044 |
|
O1B .5627 .3403 .7981 .0052 .0089 .0073 -.0001 -.0012 .0001 |
|
O2B .4335 .4844 .6933 .0103 .0098 .0099 .0033 .0015 .0030 |
|
O3B .4478 .1986 .5988 .0082 .0114 .0090 -.0003 -.0004 -.0028 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Angel R J, Gasparik T, Finger L W |
|
American Mineralogist 74 (1989) 599-603 |
|
Crystal structure of a Cr-bearing pyroxene |
|
Sample: Mg1.4Cr.6Si2O6 |
|
9.713 8.910 5.238 90 109.41 90 P2_1/c |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Mg1 .2506 .6537 .2253 .946 0.0019 0.0021 0.0034 .0001 .0004 .0008 |
|
Cr1 .2506 .6537 .2253 .054 0.0019 0.0021 0.0034 .0001 .0004 .0008 |
|
Mg2 .2528 .0162 .2209 .479 0.0019 0.0019 0.0044 .0005 .0003 .0002 |
|
Cr2 .2528 .0162 .2209 .521 0.0019 0.0019 0.0044 .0005 .0003 .0002 |
|
SiA .0456 .3387 .2891 .983 0.0020 0.0020 0.0040 -.0003 .0011 .0001 |
|
CrA .0456 .3387 .2891 .017 0.0020 0.0020 0.0040 -.0003 .0011 .0001 |
|
SiB .5493 .8381 .2437 .981 0.0012 0.0017 0.0043 .0002 .0002 .0002 |
|
CrB .5493 .8381 .2437 .019 0.0012 0.0017 0.0043 .0002 .0002 .0002 |
|
O1A .8694 .3347 .1748 0.0020 0.0030 0.005 .0008 .0004 .001 |
|
O2A .1226 .4984 .3269 0.0024 0.0011 0.006 -.0007 .0016 -.001 |
|
O3A .1092 .2753 .6055 0.0021 0.0020 0.002 -.0007 -.0002 .0012 |
|
O1B .3726 .8399 .1336 0.0009 0.0023 0.003 -.0006 .0000 .000 |
|
O2B .6321 .9871 .3820 0.0034 0.0017 0.008 -.0010 .0034 -.001 |
|
O3B .6021 .7066 .4834 0.0013 0.0025 0.003 .0000 -.0015 .0013 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Hugh-Jones D A, Angel R J |
|
American Mineralogist 79 (1994) 405-410 |
|
A compressional study of MgSiO3 orthoenstatite up to 8.5 GPa |
|
Sample: P = 0 GPa |
|
18.233 8.8191 5.1802 90 90 90 Pbca |
|
atom x y z Biso |
|
Mg1 .3763 .6541 .8663 .67 |
|
Mg2 .3769 .4872 .3589 .82 |
|
SiA .2715 .3418 .0506 .58 |
|
SiB .4736 .3374 .7981 .59 |
|
O1a .1835 .3407 .034 .64 |
|
O2a .3114 .5029 .043 .61 |
|
O3a .3025 .2224 .832 .43 |
|
O1b .5622 .3414 .798 .95 |
|
O2b .4324 .4836 .690 .57 |
|
O3b .4483 .1951 .603 .57 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Hugh-Jones D A, Angel R J |
|
American Mineralogist 79 (1994) 405-410 |
|
A compressional study of MgSiO3 orthoenstatite up to 8.5 GPa |
|
Sample: P = 1.04 GPa |
|
18.186 8.782 5.1610 90 90 90 Pbca |
|
atom x y z Biso |
|
Mg1 .3768 .6545 .8627 .51 |
|
Mg2 .3770 .4860 .3556 .64 |
|
SiA .2716 .3421 .0482 .49 |
|
SiB .4737 .3365 .7997 .41 |
|
O1a .1823 .338 .032 .87 |
|
O2a .3111 .504 .043 .59 |
|
O3a .3030 .223 .829 .18 |
|
O1b .5627 .340 .800 .63 |
|
O2b .4315 .483 .686 .37 |
|
O3b .4472 .194 .607 .52 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Hugh-Jones D A, Angel R J |
|
American Mineralogist 79 (1994) 405-410 |
|
A compressional study of MgSiO3 orthoenstatite up to 8.5 GPa |
|
Sample: P = 1.95 GPa |
|
18.148 8.756 5.1493 90 90 90 Pbca |
|
atom x y z Biso |
|
Mg1 .3760 .6556 .862 .24 |
|
Mg2 .3768 .4843 .355 .54 |
|
SiA .2707 .3436 .046 .22 |
|
SiB .4732 .3359 .8013 .21 |
|
O1a .1826 .342 .031 .23 |
|
O2a .3094 .507 .040 .16 |
|
O3a .3038 .223 .825 .12 |
|
O1b .5622 .340 .804 .38 |
|
O2b .4327 .483 .691 .22 |
|
O3b .4482 .193 .611 .23 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Hugh-Jones D A, Angel R J |
|
American Mineralogist 79 (1994) 405-410 |
|
A compressional study of MgSiO3 orthoenstatite up to 8.5 GPa |
|
Sample: P = 3.27 GPa |
|
18.1045 8.7181 5.1327 90 90 90 Pbca |
|
atom x y z Biso |
|
Mg1 .3762 .6557 .8598 .39 |
|
Mg2 .3774 .4856 .3532 .63 |
|
SiA .2715 .3429 .0447 .34 |
|
SiB .4729 .3377 .8015 .33 |
|
O1a .1824 .3397 .027 .34 |
|
O2a .3097 .5070 .037 .46 |
|
O3a .3035 .2223 .825 .51 |
|
O1b .5620 .3402 .807 .58 |
|
O2b .4322 .4837 .687 .18 |
|
O3b .4464 .1921 .612 .42 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Hugh-Jones D A, Angel R J |
|
American Mineralogist 79 (1994) 405-410 |
|
A compressional study of MgSiO3 orthoenstatite up to 8.5 GPa |
|
Sample: P = 4.09 GPa |
|
18.0710 8.6929 5.1214 90 90 90 Pbca |
|
atom x y z Biso |
|
Mg1 .3758 .6557 .8596 .36 |
|
Mg2 .3774 .4844 .3512 .45 |
|
SiA .2708 .3438 .0433 .24 |
|
SiB .4727 .3368 .8021 .24 |
|
O1a .1828 .339 .023 .25 |
|
O2a .3097 .507 .039 .31 |
|
O3a .3034 .224 .825 .21 |
|
O1b .5621 .340 .804 .72 |
|
O2b .4323 .483 .690 .30 |
|
O3b .4472 .192 .612 .05 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Hugh-Jones D A, Angel R J |
|
American Mineralogist 79 (1994) 405-410 |
|
A compressional study of MgSiO3 orthoenstatite up to 8.5 GPa |
|
Sample: P = 4.95 GPa |
|
18.0455 8.6708 5.1119 90 90 90 Pbca |
|
atom x y z Biso |
|
Mg1 .3760 .6552 .859 .28 |
|
Mg2 .3774 .4848 .350 .51 |
|
SiA .2705 .3432 .041 .32 |
|
SiB .4728 .3383 .8022 .15 |
|
O1a .1827 .339 .024 .33 |
|
O2a .3085 .508 .035 .09 |
|
O3a .3042 .223 .826 .11 |
|
O1b .5611 .340 .805 .34 |
|
O2b .4325 .484 .685 .34 |
|
O3b .4470 .190 .613 .07 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Hugh-Jones D A, Angel R J |
|
American Mineralogist 79 (1994) 405-410 |
|
A compressional study of MgSiO3 orthoenstatite up to 8.5 GPa |
|
Sample: P = 5.85 GPa |
|
18.011 8.652 5.102 90 90 90 Pbca |
|
atom x y z Biso |
|
Mg1 .3763 .6576 .8569 .51 |
|
Mg2 .3772 .4837 .3489 .40 |
|
SiA .2710 .3436 .0414 .27 |
|
SiB .4727 .3368 .8032 .28 |
|
O1a .1821 .344 .024 .23 |
|
O2a .3098 .508 .032 .61 |
|
O3a .3034 .222 .820 .02 |
|
O1b .5613 .338 .811 .52 |
|
O2b .4324 .485 .686 .20 |
|
O3b .4460 .190 .613 .20 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Hugh-Jones D A, Angel R J |
|
American Mineralogist 79 (1994) 405-410 |
|
A compressional study of MgSiO3 orthoenstatite up to 8.5 GPa |
|
Sample: P = 7.00 GPa |
|
17.983 8.6241 5.0902 90 90 90 Pbca |
|
atom x y z Biso |
|
Mg1 .3762 .6560 .8567 .33 |
|
Mg2 .3775 .4845 .3472 .47 |
|
SiA .2711 .3431 .0399 .32 |
|
SiB .4725 .3373 .8031 .26 |
|
O1a .1828 .340 .021 .41 |
|
O2a .3088 .509 .033 .48 |
|
O3a .3044 .223 .817 .30 |
|
O1b .5627 .336 .812 .55 |
|
O2b .4330 .485 .686 .16 |
|
O3b .4479 .190 .613 .19 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Hugh-Jones D A, Angel R J |
|
American Mineralogist 79 (1994) 405-410 |
|
A compressional study of MgSiO3 orthoenstatite up to 8.5 GPa |
|
Sample: P = 8.10 GPa |
|
17.950 8.604 5.080 90 90 90 Pbca |
|
atom x y z Biso |
|
Mg1 .3766 .6589 .8558 .56 |
|
Mg2 .3774 .4834 .3462 .51 |
|
SiA .2704 .3436 .0385 .27 |
|
SiB .4730 .3383 .8042 .28 |
|
O1a .1814 .344 .022 .27 |
|
O2a .3082 .509 .031 .41 |
|
O3a .3036 .222 .820 .62 |
|
O1b .5602 .340 .812 .56 |
|
O2b .4330 .486 .682 .19 |
|
O3b .4451 .191 .615 .10 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Yang H, Ghose S |
|
American Mineralogist 80 (1995) 9-20 |
|
A transitional structural state and anomalous Fe-Mg order-disorder in Mg-rich |
|
orthopyroxene, (Mg0.75Fe0.25)2Si2O6 |
|
T = 296 K |
|
18.2747 8.8729 5.1988 90 90 90 Pbca |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Mg1 .3757 .6543 .8702 .907 .0004 .0014 .0041 .0000 -.0001 .0000 |
|
Fe1 .3757 .6543 .8702 .093 .0004 .0014 .0041 .0000 -.0001 .0000 |
|
Mg2 .3776 .4848 .3640 .595 .0005 .0019 .0051 -.0001 -.0004 .0001 |
|
Fe2 .3776 .4848 .3640 .405 .0005 .0019 .0051 -.0001 -.0004 .0001 |
|
SiA .2717 .3408 .0521 .0003 .0014 .0040 .0000 .0000 .0000 |
|
SiB .4737 .3366 .7959 .0003 .0013 .0041 .0000 -.0001 .0000 |
|
O1A .1836 .3383 .0401 .0003 .0018 .0061 -.0001 .0003 -.0001 |
|
O1B .5626 .3387 .7968 .0003 .0018 .0059 .0000 .0000 .0001 |
|
O2A .3112 .5008 .0496 .0005 .0019 .0068 -.0002 -.0003 .0004 |
|
O2B .4334 .4841 .6927 .0005 .0017 .0067 .0002 -.0002 .0000 |
|
O3A .3027 .2267 -.1703 .0005 .0029 .0052 .0000 .0000 -.0011 |
|
O3B .4476 .1984 .5982 .0005 .0019 .0044 -.0001 -.0002 -.0003 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Yang H, Ghose S |
|
American Mineralogist 80 (1995) 9-20 |
|
A transitional structural state and anomalous Fe-Mg order-disorder in Mg-rich |
|
orthopyroxene, (Mg0.75Fe0.25)2Si2O6 |
|
T = 1000 K |
|
18.3878 8.9577 5.2441 90 90 90 Pbca |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Mg1 .3751 .6521 .8803 .916 .0012 .0047 .0111 .0000 -.0005 .0000 |
|
Fe1 .3751 .6521 .8803 .084 .0012 .0047 .0111 .0000 -.0005 .0000 |
|
Mg2 .3769 .4854 .3754 .586 .0018 .0066 .0162 -.0004 -.0017 .0006 |
|
Fe2 .3769 .4854 .3754 .414 .0018 .0066 .0162 -.0004 -.0017 .0006 |
|
SiA .2719 .3400 .0592 .0008 .0037 .0097 -.0002 .0000 -.0004 |
|
SiB .4747 .3371 .7887 .0008 .0038 .0096 .0002 -.0003 .0002 |
|
O1A .1844 .3389 .0502 .0008 .0061 .0133 -.0003 .0002 .0004 |
|
O1B .5627 .3403 .7898 .0008 .0061 .0151 -.0003 -.0007 .0007 |
|
O2A .3112 .4985 .0624 .0015 .0050 .0172 -.0007 -.0005 .0004 |
|
O2B .4338 .4845 .6996 .0017 .0047 .0142 .0011 -.0007 .0008 |
|
O3A .3023 .2308 -.1688 .0011 .0080 .0124 .0002 -.0003 -.0039 |
|
O3B .4483 .2058 .5831 .0014 .0068 .0147 -.0004 .0006 -.0037 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Yang H, Ghose S |
|
American Mineralogist 80 (1995) 9-20 |
|
A transitional structural state and anomalous Fe-Mg order-disorder in Mg-rich |
|
orthopyroxene, (Mg0.75Fe0.25)2Si2O6 |
|
T = 1100 K |
|
18.4105 8.9691 5.2540 90 90 90 Pbca |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Mg1 .3751 .6518 .8826 .901 .0014 .0054 .0136 .0000 -.0008 .0002 |
|
Fe1 .3751 .6518 .8826 .099 .0014 .0054 .0136 .0000 -.0008 .0002 |
|
Mg2 .3767 .4856 .3784 .601 .0021 .0074 .0182 -.0003 -.0016 .0007 |
|
Fe2 .3767 .4856 .3784 .399 .0021 .0074 .0182 -.0003 -.0016 .0007 |
|
SiA .2720 .3397 .0610 .0009 .0042 .0100 -.0003 .0000 .0000 |
|
SiB .4750 .3376 .7864 .0009 .0043 .0111 .0000 -.0004 .0000 |
|
O1A .1846 .3394 .0530 .0010 .0060 .0164 .0000 .0001 -.0006 |
|
O1B .5627 .3405 .7888 .0009 .0071 .0167 -.0002 -.0006 .0008 |
|
O2A .3111 .4976 .0654 .0019 .0058 .0192 -.0012 -.0006 .0009 |
|
O2B .4342 .4853 .7012 .0017 .0049 .0196 .0011 -.0001 .0015 |
|
O3A .3023 .2320 -.1675 .0015 .0094 .0137 -.0002 .0000 -.0047 |
|
O3B .4489 .2084 .5780 .0015 .0081 .0178 -.0003 .0005 -.0047 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Yang H, Ghose S |
|
American Mineralogist 80 (1995) 9-20 |
|
A transitional structural state and anomalous Fe-Mg order-disorder in Mg-rich |
|
orthopyroxene, (Mg0.75Fe0.25)2Si2O6 |
|
T = 1200 K |
|
18.4317 8.9822 5.2647 90 90 90 Pbca |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Mg1 .3750 .6511 .8884 .885 .0016 .0066 .0153 .0000 -.0006 .0002 |
|
Fe1 .3750 .6511 .8884 .115 .0016 .0066 .0153 .0000 -.0006 .0002 |
|
Mg2 .3763 .4863 .3853 .617 .0024 .0088 .0222 -.0005 -.0021 .0008 |
|
Fe2 .3763 .4863 .3853 .383 .0024 .0088 .0222 -.0005 -.0021 .0008 |
|
SiA .2721 .3396 .0656 .0010 .0049 .0117 -.0002 .0000 -.0004 |
|
SiB .4756 .3380 .7807 .0010 .0049 .0136 .0001 -.0004 .0000 |
|
O1A .1850 .3392 .0594 .0009 .0078 .0164 .0000 .0003 .0000 |
|
O1B .5631 .3424 .7829 .0012 .0070 .0187 -.0005 -.0004 -.0003 |
|
O2A .3115 .4965 .0726 .0021 .0065 .0218 -.0015 -.0010 .0010 |
|
O2B .4347 .4870 .7052 .0020 .0069 .0224 .0014 -.0003 .0020 |
|
O3A .3022 .2339 -.1658 .0017 .0117 .0141 .0004 -.0004 -.0059 |
|
O3B .4490 .2136 .5664 .0013 .0117 .0249 -.0006 .0004 -.0075 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Yang H, Ghose S |
|
American Mineralogist 80 (1995) 9-20 |
|
A transitional structural state and anomalous Fe-Mg order-disorder in Mg-rich |
|
orthopyroxene, (Mg0.75Fe0.25)2Si2O6 |
|
T = 1300 K |
|
18.5132 8.9809 5.3243 90 90 90 Pbca |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Mg1 .3746 .6502 .9084 .881 .0018 .0070 .0170 .0000 -.0005 .0003 |
|
Fe1 .3746 .6502 .9084 .119 .0018 .0070 .0170 .0000 -.0005 .0003 |
|
Mg2 .3753 .4870 .4080 .621 .0027 .0103 .0237 -.0004 -.0017 .0003 |
|
Fe2 .3753 .4870 .4080 .379 .0027 .0103 .0237 -.0004 -.0017 .0003 |
|
SiA .2717 .3391 .0829 .0013 .0053 .0137 -.0003 -.0003 -.0002 |
|
SiB .4773 .3391 .7612 .0011 .0061 .0138 .0002 -.0002 .0005 |
|
O1A .1849 .3410 .0788 .0011 .0088 .0181 .0000 -.0009 .0007 |
|
O1B .5642 .3431 .7637 .0013 .0082 .0265 -.0004 -.0003 .0016 |
|
O2A .3126 .4951 .0918 .0028 .0065 .0251 -.0013 .0001 .0002 |
|
O2B .4363 .4938 .7223 .0024 .0077 .0244 .0019 .0006 .0006 |
|
O3A .3018 .2380 -.1556 .0015 .0140 .0210 -.0002 .0000 -.0080 |
|
O3B .4508 .2405 .5190 .0022 .0186 .0308 -.0010 .0007 -.0170 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Domeneghetti M C, Molin G M, Stimpfl M, Tribaudino M |
|
American Mineralogist 80 (1995) 923-929 |
|
Orthopyroxene from the Serra de Mage meteorite: Structure refinement and |
|
estimation of C2/c pyroxene contributions to apparent Pbca diffraction |
|
violations |
|
Sample: OPX SDM N.13, natural |
|
18.316 8.907 5.218 90 90 90 Pbca |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Sia .27149 .34060 .05180 .00044 .00135 .00294 -.00013 -.00001 -.00008 |
|
Sib .47403 .33660 .79535 .00047 .00154 .00219 .00014 .00009 .00001 |
|
Mg1 .37540 .65459 .87426 .896 .00056 .00177 .00263 .00000 -.00015 .00015 |
|
Fe1 .37540 .65459 .87426 .104 .00056 .00177 .00263 .00000 -.00015 .00015 |
|
Fe2 .37797 .48308 .36794 .703 .00062 .00245 .00259 -.00012 -.00048 -.00008 |
|
Mg2 .37797 .48308 .36794 .254 .00062 .00245 .00259 -.00012 -.00048 -.00008 |
|
Ca2 .37797 .48308 .36794 .043 .00062 .00245 .00259 -.00012 -.00048 -.00008 |
|
O1a .18355 .33731 .04361 .00046 .00239 .00322 -.00010 .00033 .00016 |
|
O1b .56266 .33632 .79552 .00042 .00255 .00364 .00011 -.00036 .00031 |
|
O2a .31117 .50053 .05332 .00069 .00192 .00466 -.00020 -.00058 .00004 |
|
O2b .43402 .48555 .69789 .00070 .00249 .00455 .00032 -.00019 .00076 |
|
O3a .30233 .23184 -.17642 .00060 .00273 .00635 .00001 .00036 -.00239 |
|
O3b .44739 .20280 .59356 .00062 .00280 .00649 -.00003 -.00014 -.00234 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Domeneghetti M C, Molin G M, Stimpfl M, Tribaudino M |
|
American Mineralogist 80 (1995) 923-929 |
|
Orthopyroxene from the Serra de Mage meteorite: Structure refinement and |
|
estimation of C2/c pyroxene contributions to apparent Pbca diffraction |
|
violations |
|
Sample: OPX SDM N.7, heated |
|
18.320 8.917 5.219 90 90 90 Pbca |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Sia .27178 .34044 .05067 .00035 .00100 .00544 -.00020 -.00014 .00006 |
|
Sib .47383 .33640 .79521 .00044 .00132 .00450 .00021 .00028 .00020 |
|
Fe1 .37558 .65406 .87255 .232 .00044 .00145 .00435 -.00003 .00008 .00008 |
|
Mg1 .37558 .65406 .87255 .768 .00044 .00145 .00435 -.00003 .00008 .00008 |
|
Fe2 .37776 .48319 .36681 .570 .00057 .00271 .00439 -.00010 -.00033 -.00006 |
|
Mg2 .37776 .48319 .36681 .387 .00057 .00271 .00439 -.00010 -.00033 -.00006 |
|
Ca2 .37776 .48319 .36681 .043 .00057 .00271 .00439 -.00010 -.00033 -.00006 |
|
O1a .18414 .33775 .03730 .00031 .00196 .00475 -.00008 -.00009 .00090 |
|
O1b .56235 .33755 .79219 .00021 .00280 .00449 .00011 -.00009 .00101 |
|
O2a .31098 .49976 .04844 .00038 .00262 .00658 -.00036 -.00045 .00053 |
|
O2b .43401 .48420 .69768 .00054 .00341 .00609 .00020 -.00002 .00020 |
|
O3a .30222 .23043 -.17242 .00060 .00300 .00629 -.00038 .00063 -.00173 |
|
O3b .44755 .20209 .59672 .00067 .00262 .00584 .00005 -.00002 -.00273 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Nestola F, Gatta G D, Ballaran T B |
|
American Mineralogist 91 (2006) 809-815 |
|
The effect of Ca substitution on the elastic and |
|
structural behavior of orthoenstatite |
|
Locality: synthetic sample |
|
Sample: P = 0.0001 GPa |
|
18.2588 8.8229 5.1899 90 90 90 Pbca |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MgM2 .37693 .48481 .36233 .93 .0102 .0098 .0122 .0085 -.0026 -.0016 -.0016 |
|
CaM2 .37693 .48481 .36233 .07 .0102 .0098 .0122 .0085 -.0026 -.0016 -.0016 |
|
MgM1 .37569 .65408 .8681 .0067 .0074 .0067 .0061 -.0000 -.0007 .0004 |
|
SiA .27146 .34153 .04929 .0055 |
|
SiB .47419 .33778 .7968 .0055 |
|
O1A .18349 .3397 .0365 .0067 |
|
O2A .31076 .5022 .0436 .0082 |
|
O3A .30291 .2246 .8286 .0088 |
|
O1B .56276 .3400 .7987 .0069 |
|
O2B .43337 .4842 .6921 .0100 |
|
O3B .44767 .1986 .5991 .0086 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Nestola F, Gatta G D, Ballaran T B |
|
American Mineralogist 91 (2006) 809-815 |
|
The effect of Ca substitution on the elastic and |
|
structural behavior of orthoenstatite |
|
Locality: synthetic sample |
|
Sample: P = 1.76 GPa |
|
18.201 8.768 5.154 90 90 90 Pbca |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MgM2 .3768 .4829 .3597 .93 .014 .012 .013 .016 -.003 -.004 -.005 |
|
CaM2 .3768 .4829 .3597 .07 .014 .012 .013 .016 -.003 -.004 -.005 |
|
MgM1 .3762 .6560 .8650 .007 .008 .005 .009 .002 -.001 -.000 |
|
SiA .2710 .3411 .0448 .0064 |
|
SiB .4740 .3376 .7999 .0064 |
|
O1A .1830 .3406 .0340 .005 |
|
O2A .3102 .5041 .0368 .007 |
|
O3A .3035 .2255 .8270 .005 |
|
O1B .5619 .3396 .8023 .010 |
|
O2B .4337 .4864 .6852 .009 |
|
O3B .4472 .1970 .6067 .009 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Nestola F, Gatta G D, Ballaran T B |
|
American Mineralogist 91 (2006) 809-815 |
|
The effect of Ca substitution on the elastic and |
|
structural behavior of orthoenstatite |
|
Locality: synthetic sample |
|
Sample: P = 3.36 GPa |
|
18.093 8.750 5.127 90 90 90 Pbca |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MgM2 .3772 .4823 .3548 .93 .010 .008 .013 .009 -.003 .001 -.006 |
|
CaM2 .3772 .4823 .3548 .07 .010 .008 .013 .009 -.003 .001 -.006 |
|
MgM1 .3758 .6558 .8619 .008 .006 .009 .007 -.001 -.00 .004 |
|
SiA .2710 .3427 .0428 .0057 |
|
SiB .4736 .3382 .8019 .0070 |
|
O1A .1824 .3398 .0278 .007 |
|
O2A .3099 .5042 .0344 .009 |
|
O3A .3030 .2255 .8201 .007 |
|
O1B .5625 .3396 .8059 .010 |
|
O2B .4337 .4846 .6886 .006 |
|
O3B .4467 .1945 .6052 .010 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Nestola F, Gatta G D, Ballaran T B |
|
American Mineralogist 91 (2006) 809-815 |
|
The effect of Ca substitution on the elastic and |
|
structural behavior of orthoenstatite |
|
Locality: synthetic sample |
|
Sample: P = 3.94 GPa |
|
18.108 8.7215 5.120 90 90 90 Pbca |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MgM2 .3772 .4828 .3549 .93 .0112 .004 .013 .016 .004 -.002 -.003 |
|
CaM2 .3772 .4828 .3549 .07 .0112 .004 .013 .016 .004 -.002 -.003 |
|
MgM1 .3761 .6564 .8616 .0079 .004 .006 .013 -.004 -.000 .002 |
|
SiA .2711 .3423 .0408 .0054 |
|
SiB .4739 .3388 .8008 .0061 |
|
O1A .1826 .3409 .0298 .009 |
|
O2A .3097 .5068 .0371 .008 |
|
O3A .3036 .2258 .8208 .006 |
|
O1B .5618 .3396 .8011 .007 |
|
O2B .4327 .4856 .6908 .008 |
|
O3B .4459 .1942 .6057 .006 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Nestola F, Gatta G D, Ballaran T B |
|
American Mineralogist 91 (2006) 809-815 |
|
The effect of Ca substitution on the elastic and |
|
structural behavior of orthoenstatite |
|
Locality: synthetic sample |
|
Sample: P = 6.25 GPa |
|
18.022 8.6578 5.085 90 90 90 Pbca |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MgM2 .3779 .4811 .3530 .93 .012 .009 .012 .014 .001 .003 -.005 |
|
CaM2 .3779 .4811 .3530 .07 .012 .009 .012 .014 .001 .003 -.005 |
|
MgM1 .3762 .6566 .8576 .007 .008 .006 .006 -.001 -.003 .005 |
|
SiA .2705 .3437 .0376 .0051 |
|
SiB .4736 .3382 .8042 .0064 |
|
O1A .1821 .3407 .0237 .007 |
|
O2A .3092 .5057 .0355 .003 |
|
O3A .3035 .2218 .8147 .008 |
|
O1B .5628 .3395 .8134 .010 |
|
O2B .4332 .4847 .6861 .006 |
|
O3B .4458 .1917 .6085 .013 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Smyth J R, Mierdel K, Keppler H, Langenhorst F, Dubrovinsky L, Nestola F |
| |
American Mineralogist 92 (2007) 973-976 |
|
Crystal chemistry of hydration in aluminous orthopyroxene |
|
Locality: synthetic |
|
18.1876 8.7352 5.1789 90 90 90 Pbca |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MgM2 .37904 .48367 .35223 .958 .0086 .0104 .0101 .0054 -.0012 -.0020 .0000 |
|
MgM1 .37604 .65378 .86086 .79 .0061 .0062 .0080 .0042 -.0001 -.0009 -.0002 |
|
AlM1 .37604 .65378 .86086 .21 .0061 .0062 .0080 .0042 -.0001 -.0009 -.0002 |
|
Si1 .27135 .34230 .04527 .0058 .0056 .0080 .0039 -.0006 -.0001 .0002 |
|
Si2 .47307 .33717 .80610 .75 .0075 .0068 .0097 .0060 .0001 .0002 .0004 |
|
Al2 .47307 .33717 .80610 .25 .0075 .0068 .0097 .0060 .0001 .0002 .0004 |
|
O1a .18267 .3391 .0325 .0082 .0057 .0117 .0072 -.0012 -.0010 .0016 |
|
O2a .31066 .5049 .0380 .0082 .0084 .0102 .0061 -.0020 -.0005 .0002 |
|
O3a .30260 .2233 -.1737 .0083 .0079 .0121 .0051 -.0003 .0001 -.0017 |
|
O1b .56356 .3374 .8088 .0090 .0077 .0114 .0079 -.0008 .0016 .0020 |
|
O2b .43269 .4854 .6889 .0093 .0091 .0132 .0055 -.0017 -.0011 .0004 |
|
O3b .44653 .1910 .6142 .0093 .0079 .0108 .0092 .0002 .0010 -.0023 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Hawthorne F C, Ito J |
|
The Canadian Mineralogist 15 (1977) 321-338 |
|
Synthesis and crystal-structure refinement of transition-metal |
|
orthopyroxenes I: Orthoenstatite and (Mg, Mn, Co) orthopyroxene |
|
18.216 8.813 5.179 90 90 90 Pbca |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
SiA .27171 .34150 .0503 .00037 .00176 .00252 -.00005 -.00002 -.00005 |
|
SiB .47356 .33730 .7982 .00037 .00173 .00261 .00005 -.00004 .00004 |
|
MgM1 .37580 .65386 .8660 .00052 .00209 .00264 -.00002 -.00013 .00007 |
|
MgM2 .37682 .4870 .3587 .00065 .00255 .00424 -.00007 -.00045 .00032 |
|
O1A .18332 .3399 .0346 .00036 .00256 .00327 -.00001 .00002 -.00008 |
|
O2A .3110 .5024 .0434 .00059 .00210 .00503 -.00030 -.00014 .00020 |
|
O3A .3032 .2226 -.1678 .00053 .00265 .00324 .00005 -.00010 -.00089 |
|
O1B .5624 .3402 .7997 .00042 .00228 .00388 -.00008 .00000 .00010 |
|
O2B .4328 .4832 .6890 .00056 .00224 .00400 .00023 -.00016 .00011 |
|
O3B .4477 .1950 .6040 .00052 .00237 .00313 -.00003 .00017 -.00092 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Hawthorne F C, Ito J |
|
The Canadian Mineralogist 15 (1977) 321-338 |
|
Synthesis and crystal-structure refinement of transition-metal |
|
orthopyroxenes I: Orthoenstatite and (Mg, Mn, Co) orthopyroxene |
|
18.246 8.839 5.196 90 90 90 Pbca |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
SiA .27165 .3411 .0516 .00039 .00150 .00368 -.00006 .00009 -.00009 |
|
SiB .47381 .3371 .7960 .00039 .00147 .00361 .00004 -.00022 -.00007 |
|
MgM1 .37562 .6541 .8704 .904 .00037 .00127 .00350 -.00004 -.00015 .00008 |
|
CoM1 .37562 .6541 .8704 .065 .00037 .00127 .00350 -.00004 -.00015 .00008 |
|
MnM1 .37562 .6541 .8704 .031 .00037 .00127 .00350 -.00004 -.00015 .00008 |
|
MgM2 .37712 .4851 .3636 .658 .00057 .00238 .00409 -.00010 -.00042 .00016 |
|
CoM2 .37712 .4851 .3636 .198 .00057 .00238 .00409 -.00010 -.00042 .00016 |
|
MnM2 .37712 .4851 .3636 .144 .00057 .00238 .00409 -.00010 -.00042 .00016 |
|
O1A .1837 .3390 .0396 .00029 .00268 .00517 .00001 .00007 -.00013 |
|
O2A .3106 .5019 .0468 .00067 .00196 .00539 -.00032 -.00008 .00042 |
|
O3A .3033 .2261 -.1714 .00054 .00280 .00509 .00003 .00000 -.00156 |
|
O1B .5623 .3394 .7975 .00047 .00200 .00498 -.00017 .00012 .00060 |
|
O2B .4337 .4846 .6935 .00067 .00208 .00441 .00032 -.00010 .00061 |
|
O3B .4474 .1985 .5980 .00043 .00276 .00467 -.00007 .00007 -.00141 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Tribaudino M, Nestola F, Meneghini C |
|
The Canadian Mineralogist 43 (2005) 1411-1421 |
|
Rietveld refinement of clinopyroxenes with intermediate |
|
Ca-content along the join diopside-enstatite |
|
Locality: synthetic |
|
Sample: Di40En60 |
|
9.7042 8.8805 5.2423 90 108.084 90 P2_1/c |
|
atom x y z occ Biso |
|
Ca2 .2546 .0244 .2309 .40 .66 |
|
Mg2 .2546 .0244 .2309 .60 .66 |
|
Mg1 .2515 .6543 .2411 .62 |
|
SiA .0411 .3449 .2730 .58 |
|
O1A .8655 .3360 .1522 .51 |
|
O2A .1091 .5109 .3087 .80 |
|
O3A .0933 .2675 .5723 1.31 |
|
SiB .5522 .8429 .2484 .67 |
|
O1B .3771 .8372 .1442 .79 |
|
O2B .6314 .9937 .3826 1.32 |
|
O3B .6009 .7116 .4836 1.12 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Tribaudino M, Nestola F, Meneghini C |
|
The Canadian Mineralogist 43 (2005) 1411-1421 |
|
Rietveld refinement of clinopyroxenes with intermediate |
|
Ca-content along the join diopside-enstatite |
|
Locality: synthetic |
|
Sample: Di20En80 |
|
9.6655 8.8534 5.2138 90 108.349 90 P2_1/c |
|
atom x y z occ Biso |
|
Ca2 .2555 .0186 .2279 .20 .34 |
|
Mg2 .2555 .0186 .2279 .80 .34 |
|
Mg1 .2517 .6536 .2275 .62 |
|
SiA .0420 .3418 .2842 .58 |
|
O1A .8664 .3392 .1764 .51 |
|
O2A .1159 .5042 .3169 .80 |
|
O3A .1038 .2746 .5941 1.31 |
|
SiB .5498 .8392 .2301 .67 |
|
O1B .3738 .8356 .1305 .79 |
|
O2B .6332 .9847 .3803 1.32 |
|
O3B .6067 .7064 .4677 1.12 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Tribaudino M, Nestola F |
| |
European Journal of Mineralogy 14 (2002) 549-555 |
|
Average and local structure in P2_1/c clinopyroxenes along the |
|
join diopside-enstatite (CaMgSi2O6-Mg2Si2O6) |
|
Sample: Di15En85 (non-split model) |
|
Note: x-coordinate for SiTA altered by Tribaudino, Sept 2003 |
|
9.654 8.845 5.203 90 108.37 90 P2_1/c |
|
atom x y z occ Biso |
|
CaM2 .25555 .01762 .2216 .15 .94 |
|
MgM2 .25555 .01762 .2216 .85 .94 |
|
MgM1 .25081 .65383 .2228 .490 |
|
SiTA .04241 .34125 .28688 .392 |
|
SiTB .55077 .83805 .23261 .410 |
|
O1A .8665 .3397 .1791 .46 |
|
O2A .1212 .5012 .3221 .57 |
|
O3A .1053 .2751 .6023 .74 |
|
O1B .3745 .8396 .1273 .51 |
|
O2B .6319 .9851 .3825 .83 |
|
O3B .6047 .7006 .4646 .73 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Tribaudino M, Nestola F |
| |
European Journal of Mineralogy 14 (2002) 549-555 |
|
Average and local structure in P2_1/c clinopyroxenes along the |
|
join diopside-enstatite (CaMgSi2O6-Mg2Si2O6) |
|
Sample: Di15En85 (split model) |
|
9.654 8.845 5.203 90 108.37 90 P2_1/c |
|
atom x y z occ Biso |
|
CaM2 .2636 .0395 .238 .15 .65 |
|
MgM2 .2535 .0122 .2176 .85 .56 |
|
MgM1 .25085 .65377 .2229 .485 |
|
SiTA .04243 .34123 .28681 .390 |
|
SiTB .55078 .83804 .23258 .403 |
|
O1A .8665 .3395 .1792 .46 |
|
O2A .1211 .5012 .3221 .57 |
|
O3A* .1060 .2772 .6070 .85 .52 |
|
O3A** .0996 .258 .566 .15 .52 |
|
O1B .3746 .8395 .1275 .52 |
|
O2B* .6337 .9836 .3878 .85 .50 |
|
O2B** .6121 1.0003 .328 .15 .50 |
|
O3B* .6044 .6977 .4612 .85 .53 |
|
O3B** .6075 .778 -.010 .15 .53 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Tribaudino M, Nestola F |
| |
European Journal of Mineralogy 14 (2002) 549-555 |
|
Average and local structure in P2_1/c clinopyroxenes along the |
|
join diopside-enstatite (CaMgSi2O6-Mg2Si2O6) |
|
Sample: Di23En77 (non-split model) |
|
9.690 8.862 5.229 90 108.31 90 P2_1/c |
|
atom x y z occ Biso |
|
CaM2 .2546 .0222 .2285 .23 1.36 |
|
MgM2 .2546 .0222 .2285 .77 1.36 |
|
MgM1 .2505 .6539 .2284 .62 |
|
SiTA .0415 .3417 .2782 .58 |
|
SiTB .5484 .8391 .2348 .67 |
|
O1A .8665 .3396 .1719 .51 |
|
O2A .1183 .5019 .3215 .80 |
|
O3A .1049 .2679 .5874 1.31 |
|
O1B .3727 .8384 .1313 .79 |
|
O2B .6286 .9883 .3714 1.32 |
|
O3B .6048 .7092 .4760 1.12 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Tribaudino M, Nestola F |
| |
European Journal of Mineralogy 14 (2002) 549-555 |
|
Average and local structure in P2_1/c clinopyroxenes along the |
|
join diopside-enstatite (CaMgSi2O6-Mg2Si2O6) |
|
Sample: Di23En77 (split model) |
|
9.690 8.862 5.229 90 108.31 90 P2_1/c |
|
atom x y z occ Biso |
|
CaM2 .2613 .0452 .246 .23 .8 |
|
MgM2 .2518 .0127 .2210 .77 .65 |
|
MgM1 .2504 .6538 .2283 .63 |
|
SiTA .0415 .3416 .2782 .58 |
|
SiTB .5484 .8391 .2348 .61 |
|
O1A .8665 .3395 .1719 .50 |
|
O2A .1183 .5021 .3220 .81 |
|
O3A* .1052 .2735 .596 .85 .69 |
|
O3A** .103 .244 .548 .15 .69 |
|
O1B .3727 .8384 .1312 .78 |
|
O2B* .6319 .9853 .384 .85 .75 |
|
O2B** .614 1.002 .318 .15 .75 |
|
O3B* .6022 .7042 .468 .85 .64 |
|
O3B** .615 .771 .009 .15 .64 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Nestola F, Tribaudino M |
| |
European Journal of Mineralogy 15 (2003) 365-371 |
|
The structure of Pbca orthopyroxenes along the join diopside-enstatite (CaMgSi2O6-Mg2Si2O6) |
|
Sample: D4En96 |
|
18.262 8.826 5.192 90 90 90 Pbca |
|
atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
CaM2 .37699 .48508 .3610 .04 .64 .0083 .0111 .0052 -.0019 -.0014 -.0010 |
|
MgM2 .37699 .48508 .3610 .96 .64 .0083 .0111 .0052 -.0019 -.0014 -.0010 |
|
MgM1 .37567 .65400 .8670 .46 .0065 .0070 .0043 .0000 -.0004 .0002 |
|
SiTA .27150 .34160 .04923 .36 .0044 .0056 .0036 -.0004 .0004 -.0001 |
|
SiTB .47405 .33774 .79770 .37 .0045 .0058 .0036 .0002 -.0002 .0003 |
|
O1A .18335 .3400 .0353 .42 .0042 .0076 .0042 .0001 .0003 .0006 |
|
O2A .31062 .5024 .0437 .55 .0078 .0070 .0059 -.0013 -.0002 .0009 |
|
O3A .30274 .2240 .8283 .57 .0062 .0098 .0055 -.0000 .0001 -.0029 |
|
O1B .56272 .3402 .7996 .47 .0040 .0085 .0054 -.0008 -.0011 .0002 |
|
O2B .43341 .4842 .6915 .62 .0080 .0087 .0070 .0026 .0007 .0021 |
|
O3B .44770 .1973 .6008 .58 .0064 .0104 .0051 -.0011 .0004 -.0028 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Nestola F, Tribaudino M |
| |
European Journal of Mineralogy 15 (2003) 365-371 |
|
The structure of Pbca orthopyroxenes along the join diopside-enstatite (CaMgSi2O6-Mg2Si2O6) |
|
Sample: D7E93 |
|
18.268 8.836 5.196 90 90 90 Pbca |
|
atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
CaM2 .37693 .48464 .36224 .07 .837 .0098 .0140 .0081 -.0025 -.0015 -.0014 |
|
MgM2 .37693 .48464 .36224 .93 .837 .0098 .0140 .0081 -.0025 -.0015 -.0014 |
|
MgM1 .37567 .65402 .86809 .579 .0075 .0079 .0066 -.0000 -.0006 .0004 |
|
SiTA .27143 .34156 .04927 .476 .0058 .0062 .0061 -.00044 .00063 -.00026 |
|
SiTB .47421 .33784 .79691 .475 .0057 .0064 .0059 .00047 .00005 .00038 |
|
O1A .18336 .33982 .0362 .564 .0054 .0081 .0080 .0001 .0005 -.0003 |
|
O2A .31067 .50190 .0439 .654 .0089 .0069 .0090 -.0019 -.0003 .0012 |
|
O3A .30277 .22461 .8285 .726 .0076 .0113 .0087 .0002 .0010 -.0038 |
|
O1B .56275 .34024 .7990 .582 .0057 .0086 .0077 -.0001 -.0002 .0002 |
|
O2B .43344 .48436 .6920 .803 .0112 .0089 .0104 .0034 .0013 .0021 |
|
O3B .44770 .19840 .5986 .704 .0081 .0112 .0074 -.0008 .0000 -.0027 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Ohashi Y |
| |
Physics and Chemistry of Minerals 10 (1984) 217-229 |
|
Polysynthetically-twinned structures of enstatite and wollastonite |
|
Sample: OREN |
|
18.225 8.8128 5.180 90 90 90 Pbca |
|
atom x y z Biso |
|
MgM1 .37584 .65383 .8660 .37 |
|
MgM2 .37677 .48687 .3589 .57 |
|
SiA .27173 .34155 .0505 .28 |
|
SiB .47353 .33739 .7980 .27 |
|
O1A .18343 .3398 .0347 .38 |
|
O2A .31106 .5023 .0433 .47 |
|
O3A .30322 .2227 .8311 .46 |
|
O1B .56243 .3402 .8001 .39 |
|
O2B .43258 .4827 .6895 .46 |
|
O3B .44742 .1952 .6039 .41 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Yang H, Ghose S |
| |
Physics and Chemistry of Minerals 22 (1995) 300-310 |
|
High temperature single crystal X-ray diffraction studies |
|
of the ortho-proto phase transition in enstatite, Mg2Si2O6 at 1360 K |
|
Sample: T = 296 K |
|
18.251 8.814 5.181 90 90 90 Pbca |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Mg1 .3758 .6537 .8660 .423 .0004 .0015 .0031 .0000 -.0002 .0002 |
|
Mg2 .3768 .4869 .3590 .605 .0005 .0022 .0045 -.0001 -.0003 .0002 |
|
SiA .2717 .3415 .0505 .330 .0003 .0012 .0025 .0000 .0000 -.0002 |
|
SiB .4735 .3374 .7983 .320 .0002 .0011 .0027 .0000 -.0001 .0001 |
|
O1A .1834 .3400 .0356 .463 .0003 .0019 .0039 .0000 .0001 -.0001 |
|
O1B .5625 .3403 .8002 .459 .0003 .0019 .0043 .0001 .0000 .0001 |
|
O2A .3108 .5027 .0432 .542 .0005 .0014 .0052 -.0002 .0000 -.0001 |
|
O2B .4327 .4833 .6896 .528 .0005 .0016 .0035 .0002 -.0001 .0005 |
|
O3A .3032 .2226 -.1679 .534 .0004 .0024 .0032 .0000 .0000 -.0010 |
|
O3B .4475 .1955 .6040 .512 .0004 .0019 .0037 -.0001 .0001 -.0006 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Yang H, Ghose S |
| |
Physics and Chemistry of Minerals 22 (1995) 300-310 |
|
High temperature single crystal X-ray diffraction studies |
|
of the ortho-proto phase transition in enstatite, Mg2Si2O6 at 1360 K |
|
Sample: T = 900 K |
|
18.341 8.889 5.219 90 90 90 Pbca |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Mg1 .3754 .6521 .8731 1.257 .0010 .0043 .0095 -.0001 -.0004 .0000 |
|
Mg2 .3766 .4872 .3664 1.756 .0015 .0059 .0128 -.0003 .0011 .0009 |
|
SiA .2719 .3409 .0552 .879 .0006 .0031 .0073 -.0002 .0000 -.0003 |
|
SiB .4743 .3377 .7936 .878 .0006 .0032 .0075 .0001 -.0002 .0000 |
|
O1A .1839 .3395 .0427 1.208 .0007 .0049 .0108 .0001 .0001 .0005 |
|
O1B .5629 .3411 .7955 1.197 .0006 .0053 .0105 .0001 .0000 .0002 |
|
O2A .3111 .5001 .0527 1.495 .0012 .0040 .0143 -.0007 -.0001 .0012 |
|
O2B .4333 .4838 .6939 1.523 .0013 .0046 .0130 .0007 -.0003 .0015 |
|
O3A .3028 .2258 -.1680 1.476 .0010 .0060 .0106 .0002 -.0001 -.0030 |
|
O3B .4485 .1998 .5956 1.426 .0011 .0055 .0099 -.0003 -.0001 -.0029 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Yang H, Ghose S |
| |
Physics and Chemistry of Minerals 22 (1995) 300-310 |
|
High temperature single crystal X-ray diffraction studies |
|
of the ortho-proto phase transition in enstatite, Mg2Si2O6 at 1360 K |
|
Sample: T = 1200 K |
|
18.413 8.929 5.246 90 90 90 Pbca |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Mg1 .3753 .6514 .8780 1.758 .0014 .0061 .0129 .0000 -.0006 .0001 |
|
Mg2 .3762 .4876 .3725 2.518 .0022 .0080 .0183 -.0005 -.0022 .0018 |
|
SiA .2720 .3403 .0590 1.226 .0009 .0043 .0097 -.0003 .0000 -.0003 |
|
SiB .4749 .3380 .7895 1.214 .0008 .0044 .0102 .0002 -.0003 .0002 |
|
O1A .1844 .3396 .0484 1.734 .0011 .0065 .0144 .0001 .0000 .0004 |
|
O1B .5629 .3420 .7915 1.702 .0010 .0069 .0145 .0001 -.0003 .0002 |
|
O2A .3109 .4992 .0572 2.054 .0016 .0056 .0197 -.0011 -.0006 .0013 |
|
O2B .4337 .4847 .6974 2.05 .0017 .0064 .0170 .0010 -.0003 .0024 |
|
O3A .3025 .2273 -.1660 2.071 .0012 .0095 .0143 .0002 -.0003 -.0046 |
|
O3B .4490 .2037 .5875 2.101 .0014 .0082 .0159 -.0003 -.0001 -.0043 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Yang H, Ghose S |
| |
Physics and Chemistry of Minerals 22 (1995) 300-310 |
|
High temperature single crystal X-ray diffraction studies |
|
of the ortho-proto phase transition in enstatite, Mg2Si2O6 at 1360 K |
|
Sample: T = 1360 K |
|
18.456 8.960 5.270 90 90 90 Pbca |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Mg1 .3753 .6510 .8841 2.629 .0025 .0073 .0191 .0003 -.0007 .0001 |
|
Mg2 .3765 .4878 .3791 3.736 .0040 .0097 .0240 -.0010 -.0013 .0021 |
|
SiA .2710 .3397 .0642 2.318 .0026 .0058 .0143 .0002 -.0001 -.0016 |
|
SiB .4761 .3385 .7842 2.095 .0022 .0053 .0143 .0004 -.0005 .0014 |
|
O1A .1832 .3401 .0564 2.296 .0008 .0100 .0229 .0004 -.0020 .0024 |
|
O1B .5638 .3428 .7859 1.878 .0004 .0087 .0213 -.0001 -.0006 -.0017 |
|
O2A .3116 .4980 .0626 3.066 .0032 .0064 .0249 -.0015 -.0009 .0009 |
|
O2B .4356 .4858 .7005 2.772 .0024 .0082 .0213 .0007 -.0007 .0004 |
|
O3A .3020 .2280 -.1629 2.321 .0003 .0141 .0181 .0006 .0010 -.0030 |
|
O3B .4499 .2099 .5761 3.172 .0019 .0134 .0241 -.0004 .0003 -.0099 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
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 |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
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 |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
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 |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
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 |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
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 |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
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 |
|
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
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 |
|
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
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 |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
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 |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
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 |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
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 |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
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 |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
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 |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
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 |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
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 |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
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 |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Camara F, Iezzi G, Tiepolo M, Oberti R |
| |
Physics and Chemistry of Minerals 33 (2006) 475-483 |
|
The crstal chemistry of lithium and Fe3+ in synthetic orthopyroxene |
|
Sample: LMFPX3 |
|
18.2113 8.8172 5.2050 90 90 90 Pbca |
|
atom x y z occ Biso |
|
MgM1 .3754 .6510 .8745 .74 .63 |
|
Fe3+M1 .3754 .6510 .8745 .20 .63 |
|
Fe2+M1 .3754 .6510 .8745 .06 .63 |
|
MgM2 .3775 .4846 .3665 .59 .69 |
|
Fe2+M2 .3775 .4846 .3665 .21 .69 |
|
LiM2 .3775 .4846 .3665 .20 .69 |
|
Sia .2722 .3406 .0540 .44 |
|
Sib .4740 .3371 .7942 .45 |
|
O1a .1836 .3375 .0442 .60 |
|
O1b .5630 .3375 .7960 .60 |
|
O2a .3104 .5032 .0502 .72 |
|
O2b .4342 .4871 .6973 .74 |
|
O3a .3033 .2281 -.1714 .70 |
|
O3b .4474 .2017 .5920 .73 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Camara F, Iezzi G, Tiepolo M, Oberti R |
| |
Physics and Chemistry of Minerals 33 (2006) 475-483 |
|
The crstal chemistry of lithium and Fe3+ in synthetic orthopyroxene |
|
Sample: LMFPX4 |
|
18.2369 8.8246 5.2076 90 90 90 Pbca |
|
atom x y z occ Biso |
|
MgM1 .3754 .6514 .8734 .74 .61 |
|
Fe3+M1 .3754 .6514 .8734 .20 .61 |
|
Fe2+M1 .3754 .6514 .8734 .06 .61 |
|
MgM2 .3775 .4848 .3655 .59 .67 |
|
Fe2+M2 .3775 .4848 .3655 .21 .67 |
|
LiM2 .3775 .4848 .3655 .20 .67 |
|
Sia .2721 .3408 .0535 .41 |
|
Sib .4739 .3370 .7949 .41 |
|
O1a .1836 .3378 .0428 .55 |
|
O1b .5630 .3380 .7966 .60 |
|
O2a .3104 .5029 .0492 .70 |
|
O2b .4340 .4864 .6964 .70 |
|
O3a .3033 .2275 -.1714 .63 |
|
O3b .4475 .2006 .5939 .65 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Camara F, Iezzi G, Tiepolo M, Oberti R |
| |
Physics and Chemistry of Minerals 33 (2006) 475-483 |
|
The crstal chemistry of lithium and Fe3+ in synthetic orthopyroxene |
|
Sample: LMFPX5 |
|
18.2162 8.8194 5.2054 90 90 90 Pbca |
|
atom x y z occ Biso |
|
MgM1 .3754 .6513 .8740 .74 .66 |
|
Fe3+M1 .3754 .6513 .8740 .20 .66 |
|
Fe2+M1 .3754 .6513 .8740 .06 .66 |
|
MgM2 .3775 .4848 .3657 .59 .73 |
|
Fe2+M2 .3775 .4848 .3657 .21 .73 |
|
LiM2 .3775 .4848 .3657 .20 .73 |
|
Sia .2721 .3408 .0537 .45 |
|
Sib .4740 .3371 .7943 .46 |
|
O1a .1835 .3378 .0434 .61 |
|
O1b .5630 .3377 .7962 .63 |
|
O2a .3104 .5030 .0500 .71 |
|
O2b .4341 .4867 .6969 .78 |
|
O3a .3032 .2280 -.1712 .66 |
|
O3b .4475 .2014 .5930 .74 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Gatta G D, Rinaldi R, Knight K S, Molin G, Artioli G |
| |
Physics and Chemistry of Minerals 34 (2007) 185-200 |
|
High temperature structural and thermoelastic behaviour of mantle |
|
orthopyroxene: an in situ neutron powder diffraction study |
|
Sample: T = 20 C |
|
18.2429 8.8171 5.1894 90 90 90 Pbca |
|
atom x y z occ Uiso |
|
MgM1 .3780 .6514 .8714 .967 .00695 |
|
FeM1 .3780 .6514 .8714 .023 .00695 |
|
MgM2 .3754 .4879 .3508 .853 .01089 |
|
FeM2 .3754 .4879 .3508 .127 .01089 |
|
SiA .2700 .3468 .0527 .00153 |
|
SiB .4724 .3370 .7975 .97 .00153 |
|
AlB .4724 .3370 .7975 .03 .00153 |
|
O1A .1840 .3305 .0362 .00218 |
|
O1B .5618 .3462 .7963 .00218 |
|
O2A .3092 .5042 .0396 .00218 |
|
O2B .4318 .4895 .6888 .00218 |
|
O3A .3036 .2281 -.1686 .00218 |
|
O3B .4478 .1967 .6015 .00218 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Gatta G D, Rinaldi R, Knight K S, Molin G, Artioli G |
| |
Physics and Chemistry of Minerals 34 (2007) 185-200 |
|
High temperature structural and thermoelastic behaviour of mantle |
|
orthopyroxene: an in situ neutron powder diffraction study |
|
Sample: T = 1,200 C |
|
18.4588 8.9638 5.2848 90 90 90 Pbca |
|
atom x y z occ Uiso |
|
MgM1 .3814 .6504 .8953 .919 .04519 |
|
FeM1 .3814 .6504 .8953 .071 .04519 |
|
MgM2 .3723 .4848 .3715 .901 .05034 |
|
FeM2 .3723 .4848 .3715 .079 .05034 |
|
SiA .2710 .3464 .0655 .01735 |
|
SiB .4757 .3423 .7714 .97 .01735 |
|
AlB .4757 .3423 .7714 .03 .01735 |
|
O1A .1854 .3383 .0582 .01959 |
|
O1B .5632 .3427 .7823 .01959 |
|
O2A .3113 .5029 .0474 .01959 |
|
O2B .4324 .4964 .7068 .01959 |
|
O3A .3027 .2368 -.1691 .01959 |
|
O3B .4503 .2093 .5739 .01959 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Gatta G D, Rinaldi R, Knight K S, Molin G, Artioli G |
| |
Physics and Chemistry of Minerals 34 (2007) 185-200 |
|
High temperature structural and thermoelastic behaviour of mantle |
|
orthopyroxene: an in situ neutron powder diffraction study |
|
Sample: T = 1,175 C |
|
18.4517 8.9612 5.2797 90 90 90 Pbca |
|
atom x y z occ Uiso |
|
MgM1 .3814 .6514 .8937 .928 .04322 |
|
FeM1 .3814 .6514 .8937 .062 .04322 |
|
MgM2 .3729 .4850 .3692 .892 .04855 |
|
FeM2 .3729 .4850 .3692 .088 .04855 |
|
SiA .2712 .3464 .0647 .01682 |
|
SiB .4756 .3417 .7733 .97 .01682 |
|
AlB .4756 .3417 .7733 .03 .01682 |
|
O1A .1856 .3390 .0562 .01900 |
|
O1B .5629 .3435 .7843 .01900 |
|
O2A .3119 .5031 .0477 .01900 |
|
O2B .4321 .4956 .7053 .01900 |
|
O3A .3028 .2363 -.1702 .01900 |
|
O3B .4503 .2082 .5758 .01900 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Gatta G D, Rinaldi R, Knight K S, Molin G, Artioli G |
| |
Physics and Chemistry of Minerals 34 (2007) 185-200 |
|
High temperature structural and thermoelastic behaviour of mantle |
|
orthopyroxene: an in situ neutron powder diffraction study |
|
Sample: T = 1,150 C |
|
18.4450 8.9589 5.2749 90 90 90 Pbca |
|
atom x y z occ Uiso |
|
MgM1 .3812 .6516 .8913 .927 .04139 |
|
FeM1 .3812 .6516 .8913 .063 .04139 |
|
MgM2 .3731 .4852 .3673 .893 .04650 |
|
FeM2 .3731 .4852 .3673 .087 .04650 |
|
SiA .2710 .3473 .0621 .01572 |
|
SiB .4753 .3398 .7761 .97 .01572 |
|
AlB .4753 .3398 .7761 .03 .01572 |
|
O1A .1852 .3395 .0535 .01780 |
|
O1B .5626 .3430 .7859 .01780 |
|
O2A .3115 .5039 .0470 .01780 |
|
O2B .4321 .4944 .7045 .01780 |
|
O3A .3024 .2353 -.1706 .01780 |
|
O3B .4499 .2071 .5776 .01780 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Gatta G D, Rinaldi R, Knight K S, Molin G, Artioli G |
| |
Physics and Chemistry of Minerals 34 (2007) 185-200 |
|
High temperature structural and thermoelastic behaviour of mantle |
|
orthopyroxene: an in situ neutron powder diffraction study |
|
Sample: T = 1,125 C |
|
18.4378 8.9555 5.2711 90 90 90 Pbca |
|
atom x y z occ Uiso |
|
MgM1 .3811 .6518 .8904 .925 .04085 |
|
FeM1 .3811 .6518 .8904 .065 .04085 |
|
MgM2 .3732 .4852 .3656 .895 .04562 |
|
FeM2 .3732 .4852 .3656 .085 .04562 |
|
SiA .2712 .3470 .0615 .01538 |
|
SiB .4753 .3398 .7762 .97 .01538 |
|
AlB .4753 .3398 .7762 .03 .01538 |
|
O1A .1854 .3386 .0530 .01742 |
|
O1B .5626 .3437 .7859 .01742 |
|
O2A .3114 .5040 .0467 .01742 |
|
O2B .4321 .4944 .7037 .01742 |
|
O3A .3024 .2351 -.1703 .01742 |
|
O3B .4499 .2067 .5783 .01742 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Gatta G D, Rinaldi R, Knight K S, Molin G, Artioli G |
| |
Physics and Chemistry of Minerals 34 (2007) 185-200 |
|
High temperature structural and thermoelastic behaviour of mantle |
|
orthopyroxene: an in situ neutron powder diffraction study |
|
Sample: T = 1,100 C |
|
18.4314 8.9520 5.2674 90 90 90 Pbca |
|
atom x y z occ Uiso |
|
MgM1 .3809 .6518 .8889 .925 .04020 |
|
FeM1 .3809 .6518 .8889 .065 .04020 |
|
MgM2 .3736 .4855 .3648 .895 .04412 |
|
FeM2 .3736 .4855 .3648 .085 .04412 |
|
SiA .2712 .3475 .0612 .01488 |
|
SiB .4751 .3392 .7769 .97 .01488 |
|
AlB .4751 .3392 .7769 .03 .01488 |
|
O1A .1853 .3386 .0516 .01687 |
|
O1B .5627 .3429 .7863 .01687 |
|
O2A .3112 .5045 .0467 .01687 |
|
O2B .4321 .4934 .7026 .01687 |
|
O3A .3026 .2348 -.1702 .01687 |
|
O3B .4499 .2061 .5792 .01687 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Gatta G D, Rinaldi R, Knight K S, Molin G, Artioli G |
| |
Physics and Chemistry of Minerals 34 (2007) 185-200 |
|
High temperature structural and thermoelastic behaviour of mantle |
|
orthopyroxene: an in situ neutron powder diffraction study |
|
Sample: T = 1,075 C |
|
18.4244 8.9481 5.2639 90 90 90 Pbca |
|
atom x y z occ Uiso |
|
MgM1 .3807 .6519 .8876 .924 .03851 |
|
FeM1 .3807 .6519 .8876 .066 .03851 |
|
MgM2 .3740 .4848 .3645 .896 .04247 |
|
FeM2 .3740 .4848 .3645 .084 .04247 |
|
SiA .2712 .3473 .0599 .01460 |
|
SiB .4751 .3385 .7767 .97 .01460 |
|
AlB .4751 .3385 .7767 .03 .01460 |
|
O1A .1851 .3403 .0497 .01656 |
|
O1B .5626 .3420 .7869 .01656 |
|
O2A .3112 .5046 .0470 .01656 |
|
O2B .4321 .4929 .7024 .01656 |
|
O3A .3025 .2344 -.1702 .01656 |
|
O3B .4499 .2054 .5800 .01656 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Gatta G D, Rinaldi R, Knight K S, Molin G, Artioli G |
| |
Physics and Chemistry of Minerals 34 (2007) 185-200 |
|
High temperature structural and thermoelastic behaviour of mantle |
|
orthopyroxene: an in situ neutron powder diffraction study |
|
Sample: T = 1,050 C |
|
18.4197 8.9449 5.2609 90 90 90 Pbca |
|
atom x y z occ Uiso |
|
MgM1 .3806 .6508 .8844 .924 .03678 |
|
FeM1 .3806 .6508 .8844 .066 .03678 |
|
MgM2 .3736 .4851 .3667 .896 .04140 |
|
FeM2 .3736 .4851 .3667 .084 .04140 |
|
SiA .2707 .3470 .0616 .01394 |
|
SiB .4746 .3391 .7768 .97 .01394 |
|
AlB .4746 .3391 .7768 .03 .01394 |
|
O1A .1847 .3419 .0484 .01583 |
|
O1B .5623 .3399 .7884 .01583 |
|
O2A .3105 .5052 .0453 .01583 |
|
O2B .4316 .4926 .7020 .01583 |
|
O3A .3024 .2343 -.1697 .01583 |
|
O3B .4501 .2047 .5813 .01583 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Gatta G D, Rinaldi R, Knight K S, Molin G, Artioli G |
| |
Physics and Chemistry of Minerals 34 (2007) 185-200 |
|
High temperature structural and thermoelastic behaviour of mantle |
|
orthopyroxene: an in situ neutron powder diffraction study |
|
Sample: T = 1,025 C |
|
18.4125 8.9408 5.2577 90 90 90 Pbca |
|
atom x y z occ Uiso |
|
MgM1 .3806 .6516 .8829 .929 .03836 |
|
FeM1 .3806 .6516 .8829 .061 .03836 |
|
MgM2 .3738 .4853 .3643 .891 .04045 |
|
FeM2 .3738 .4853 .3643 .089 .04045 |
|
SiA .2708 .3471 .0603 .01337 |
|
SiB .4745 .3387 .7781 .97 .01337 |
|
AlB .4745 .3387 .7781 .03 .01337 |
|
O1A .1849 .3416 .0481 .01520 |
|
O1B .5624 .3400 .7888 .01520 |
|
O2A .3105 .5057 .0452 .01520 |
|
O2B .4319 .4922 .7018 .01520 |
|
O3A .3023 .2340 -.1701 .01520 |
|
O3B .4498 .2041 .5818 .01520 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Gatta G D, Rinaldi R, Knight K S, Molin G, Artioli G |
| |
Physics and Chemistry of Minerals 34 (2007) 185-200 |
|
High temperature structural and thermoelastic behaviour of mantle |
|
orthopyroxene: an in situ neutron powder diffraction study |
|
Sample: T = 1,000 C |
|
18.4047 8.9366 5.2543 90 90 90 Pbca |
|
atom x y z occ Uiso |
|
MgM1 .3801 .6525 .8848 .928 .03640 |
|
FeM1 .3801 .6525 .8848 .062 .03640 |
|
MgM2 .3748 .4852 .3611 .892 .03988 |
|
FeM2 .3748 .4852 .3611 .088 .03988 |
|
SiA .2711 .3481 .0582 .01347 |
|
SiB .4747 .3375 .7783 .97 .01347 |
|
AlB .4747 .3375 .7783 .03 .01347 |
|
O1A .1852 .3385 .0474 .01531 |
|
O1B .5624 .3426 .7875 .01531 |
|
O2A .3108 .5052 .0462 .01531 |
|
O2B .4322 .4911 .7018 .01531 |
|
O3A .3027 .2335 -.1701 .01531 |
|
O3B .4496 .2037 .5820 .01531 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Gatta G D, Rinaldi R, Knight K S, Molin G, Artioli G |
| |
Physics and Chemistry of Minerals 34 (2007) 185-200 |
|
High temperature structural and thermoelastic behaviour of mantle |
|
orthopyroxene: an in situ neutron powder diffraction study |
|
Sample: T = 975 C |
|
18.3995 8.9329 5.2519 90 90 90 Pbca |
|
atom x y z occ Uiso |
|
MgM1 .3803 .6520 .8821 .927 .03589 |
|
FeM1 .3803 .6520 .8821 .063 .03589 |
|
MgM2 .3743 .4852 .3617 .893 .03947 |
|
FeM2 .3743 .4852 .3617 .087 .03947 |
|
SiA .2707 .3472 .0590 .01273 |
|
SiB .4744 .3376 .7791 .97 .01273 |
|
AlB .4744 .3376 .7791 .03 .01273 |
|
O1A .1849 .3408 .0471 .01450 |
|
O1B .5622 .3409 .7890 .01450 |
|
O2A .3104 .5058 .0446 .01450 |
|
O2B .4320 .4916 .7012 .01450 |
|
O3A .3022 .2333 -.1700 .01450 |
|
O3B .4494 .2033 .5835 .01450 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Gatta G D, Rinaldi R, Knight K S, Molin G, Artioli G |
| |
Physics and Chemistry of Minerals 34 (2007) 185-200 |
|
High temperature structural and thermoelastic behaviour of mantle |
|
orthopyroxene: an in situ neutron powder diffraction study |
|
Sample: T = 150 C |
|
18.2513 8.8274 5.1929 90 90 90 Pbca |
|
atom x y z occ Uiso |
|
MgM1 .3793 .6526 .8682 .972 .00709 |
|
FeM1 .3793 .6526 .8682 .018 .00709 |
|
MgM2 .3745 .4876 .3531 .848 .00974 |
|
FeM2 .3745 .4876 .3531 .132 .00974 |
|
SiA .2694 .3475 .0505 .00361 |
|
SiB .4729 .3354 .7952 .97 .00361 |
|
AlB .4729 .3354 .7952 .03 .00361 |
|
O1A .1832 .3374 .0381 .00447 |
|
O1B .5617 .3426 .7963 .00447 |
|
O2A .3094 .5056 .0372 .00447 |
|
O2B .4318 .4858 .6893 .00447 |
|
O3A .3044 .2255 -.1702 .00447 |
|
O3B .4474 .1976 .6020 .00447 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Morimoto N, Koto K |
|
Zeitschrift fur Kristallographie 129 (1969) 65-83 |
|
The crystal structure of orthoenstatite |
|
Locality: Bishopville meteorite |
|
18.210 8.812 5.178 90 90 90 Pbca |
|
atom x y z Biso |
|
Mg1 .3760 .6544 .8663 .69 |
|
Mg2 .3769 .4854 .3609 .77 |
|
SiA .2716 .3411 .0494 .56 |
|
SiB .4740 .3373 .7988 .64 |
|
O1A .1832 .3386 .0349 .69 |
|
O2A .3118 .5022 .0430 .97 |
|
O3A .3036 .2252 -.1698 1.14 |
|
O1B .5628 .3382 .8009 .67 |
|
O2B .4337 .4841 .6880 .71 |
|
O3B .4470 .1961 .6004 .97 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
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 |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
Multiple datasets can be concatenated into a single downloadable file by
selecting the datasets and then hitting the "Download Selected Data" button.
