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Fayalite |
 |
Birle J D, Gibbs G V, Moore P B, Smith J V |
 |
American Mineralogist 53 (1968) 807-824 |
|
Crystal structures of natural olivines |
|
4.816 10.469 6.099 90 90 90 Pbnm |
|
atom x y z occ Biso |
|
Fe1 0 0 0 .922 .41 |
|
Mg1 0 0 0 .039 .41 |
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Mn1 0 0 0 .037 .41 |
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Ca1 0 0 0 .002 .41 |
|
Fe2 .98608 .28004 .25 .922 .36 |
|
Mg2 .98608 .28004 .25 .039 .36 |
|
Mn2 .98608 .28004 .25 .037 .36 |
|
Ca2 .98608 .28004 .25 .002 .36 |
|
Si .43070 .09723 .25 .27 |
|
O1 .76683 .09197 .25 .43 |
|
O2 .21027 .45308 .25 .48 |
|
O3 .28806 .16532 .03626 .52 |
|
|
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|
| |
|
Fayalite |
|
Birle J D, Gibbs G V, Moore P B, Smith J V |
|
American Mineralogist 53 (1968) 807-824 |
|
Crystal structures of natural olivines |
|
Note: variety hortonolite |
|
4.787 10.341 6.044 90 90 90 Pbnm |
|
atom x y z occ Biso |
|
Mg1 0 0 0 .49 .36 |
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Fe1 0 0 0 .49 .36 |
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Mn1 0 0 0 .01 .36 |
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Ca1 0 0 0 .01 .36 |
|
Mg2 .98678 .27915 .25 .49 .47 |
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Fe2 .98678 .27915 .25 .49 .47 |
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Mn2 .98678 .27915 .25 .01 .47 |
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Ca2 .98678 .27915 .25 .01 .47 |
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Si .42870 .09576 .25 .18 |
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O1 .76844 .09173 .25 .28 |
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O2 .21419 .44958 .25 .18 |
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O3 .28401 .16395 .03442 .37 |
|
|
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|
| |
|
Fayalite |
|
Smyth J R |
|
American Mineralogist 60 (1975) 1092-1097 |
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High temperature crystal chemistry of fayalite |
|
T = 20 deg C |
|
olivine |
|
4.818 10.471 6.086 90 90 90 Pbnm |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Fe1 0 0 0 .0035 .0019 .0035 .0002 -.0006 -.0004 |
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Fe2 .9853 .2800 .25 .0045 .0013 .0034 0 0 0 |
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Si .4292 .0975 .25 .0019 .0012 .0034 .0002 0 0 |
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O1 .7687 .0928 .25 .0026 .0014 .0049 .0014 0 0 |
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O2 .2076 .4529 .25 .0006 .0018 .0029 -.0006 0 0 |
|
O3 .2884 .1637 .0383 .0035 .0011 .0045 -.0003 -.0005 .0007 |
|
|
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|
| |
|
Fayalite |
|
Smyth J R |
|
American Mineralogist 60 (1975) 1092-1097 |
|
High temperature crystal chemistry of fayalite |
|
T = 300 deg C |
|
olivine |
|
4.825 10.491 6.100 90 90 90 Pbnm |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Fe1 0 0 0 .0075 .0038 .0072 .00050 -.0009 -.0009 |
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Fe2 .9859 .2803 .25 .0105 .0026 .0065 .00020 0 0 |
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Si .4294 .0976 .25 .0040 .0022 .0060 .00050 0 0 |
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O1 .7672 .0933 .25 .0025 .0027 .0081 .00180 0 0 |
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O2 .2086 .4529 .25 .0038 .0033 .0054 -.0007 0 0 |
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O3 .2897 .1630 .0395 .0072 .0020 .0079 -.0010 -.0015 .0011 |
|
|
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|
| |
|
Fayalite |
|
Smyth J R |
|
American Mineralogist 60 (1975) 1092-1097 |
|
High temperature crystal chemistry of fayalite |
|
T = 600 deg C |
|
olivine |
|
4.841 10.521 6.126 90 90 90 Pbnm |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Fe1 0 0 0 .0129 .0060 .0111 .0003 -.0019 -.0017 |
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Fe2 .9866 .2806 .25 .0170 .0040 .0102 -.0002 0 0 |
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Si .4295 .0975 .25 .0066 .0034 .0077 .0001 0 0 |
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O1 .7673 .0936 .25 .0126 .0036 .0103 .0019 0 0 |
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O2 .2094 .4527 .25 .0054 .0042 .0092 -.0008 0 0 |
|
O3 .2906 .1628 .0403 .0109 .0032 .0135 -.0005 .0002 .0024 |
|
|
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|
| |
|
Fayalite |
|
Smyth J R |
|
American Mineralogist 60 (1975) 1092-1097 |
|
High temperature crystal chemistry of fayalite |
|
T = 900 deg C |
|
olivine |
|
4.860 10.559 6.150 90 90 90 Pbnm |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Fe1 0 0 0 .0190 .0079 .0199 .0004 -.0030 -.0027 |
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Fe2 .9871 .2808 .25 .0249 .0051 .0159 .0002 0 0 |
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Si .4288 .0971 .25 .0095 .0037 .0144 .0007 0 0 |
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O1 .7674 .0941 .25 .0138 .0050 .0156 .0029 0 0 |
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O2 .2090 .4532 .25 .0082 .0050 .0172 -.0024 0 0 |
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O3 .2919 .1625 .0443 .0166 .0038 .0248 -.0006 .0017 .0035 |
|
|
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|
| |
|
Fayalite |
|
Hazen R M |
|
American Mineralogist 62 (1977) 286-295 |
|
Effects of temperature and pressure on the crystal structure of ferromagnesian |
|
olivine |
|
T = -196 deg C, P = 1 atm |
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4.814 10.448 6.076 90 90 90 Pbnm |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Fe1 0 0 0 .0011 .0009 .0047 .0001 -.0002 -.0002 |
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Fe2 .9861 .2799 .25 .0018 .0008 .0046 0 0 0 |
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Si .4313 .0971 .25 .0012 .0008 .0061 .0005 0 0 |
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O1 .7684 .0905 .25 .0004 .0014 .0089 .0010 0 0 |
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O2 .2075 .4547 .25 .0016 .0013 .0086 .0007 0 0 |
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O3 .2875 .1646 .0359 .0036 .0012 .0071 -.0002 .0011 -.0003 |
|
|
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|
| |
|
Fayalite |
|
Hazen R M |
|
American Mineralogist 62 (1977) 286-295 |
|
Effects of temperature and pressure on the crystal structure of ferromagnesian |
|
olivine |
|
T = 23 deg C, P = 1 atm, in P-cell |
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4.818 10.470 6.086 90 90 90 Pbnm |
|
atom x y z Biso |
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Fe1 0 0 0 .27 |
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Fe2 .985 .279 .25 .27 |
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Si .426 .095 .25 .03 |
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O1 .772 .098 .25 .00 |
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O2 .216 .450 .25 -.10 |
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O3 .281 .164 .042 .20 |
|
|
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View JMOL 3-D Structure
|
| |
|
Fayalite |
|
Hazen R M |
|
American Mineralogist 62 (1977) 286-295 |
|
Effects of temperature and pressure on the crystal structure of ferromagnesian |
|
olivine |
|
T = 23 deg C, P = 1 atm, standard mount |
|
4.818 10.470 6.086 90 90 90 Pbnm |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Fe1 0 0 0 .0058 .0017 .0032 .00070 -.0013 -.0003 |
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Fe2 .9851 .2803 .25 .0045 .0011 .0032 .00030 0 0 |
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Si .4292 .0973 .25 .0054 .0007 .0033 .00050 0 0 |
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O1 .7680 .0907 .25 .0023 .0007 .0068 .00060 0 0 |
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O2 .2079 .4551 .25 .0037 .0001 .0058 -.0012 0 0 |
|
O3 .2890 .1650 .0403 .0053 .0015 .0063 .00050 .00250 -.0004 |
|
|
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View JMOL 3-D Structure
|
| |
|
Fayalite |
|
Hazen R M |
|
American Mineralogist 62 (1977) 286-295 |
|
Effects of temperature and pressure on the crystal structure of ferromagnesian |
|
olivine |
|
T = 23 deg C, P = 31 kb |
|
4.802 10.260 6.070 90 90 90 Pbnm |
|
atom x y z Biso |
|
Fe1 0 0 0 .30 |
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Fe2 .987 .284 .25 .50 |
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Si .428 .092 .25 .00 |
|
O1 .771 .107 .25 -.8 |
|
O2 .237 .479 .25 -.8 |
|
O3 .314 .159 .040 -.3 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Fayalite |
|
Hazen R M |
|
American Mineralogist 62 (1977) 286-295 |
|
Effects of temperature and pressure on the crystal structure of ferromagnesian |
|
olivine |
|
T = 23 deg C, P = 42 kb |
|
4.801 10.220 6.049 90 90 90 Pbnm |
|
atom x y z Biso |
|
Fe1 0 0 0 .8 |
|
Fe2 .978 .278 .25 .5 |
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Si .421 .110 .25 .4 |
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O1 .763 .092 .25 .5 |
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O2 .225 .474 .25 .5 |
|
O3 .285 .163 .044 1.4 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Fayalite |
|
Hazen R M |
|
American Mineralogist 62 (1977) 286-295 |
|
Effects of temperature and pressure on the crystal structure of ferromagnesian |
|
olivine |
|
T = 23 C, P = 1 atm , Evacuated silica capillary |
|
4.798 10.390 6.055 90 90 90 Pbnm |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Fe1 0 0 0 .0031 .0015 .0028 .0001 -.0007 .0005 |
|
Fe2 .9867 .2792 .25 .0038 .0007 .0024 .0001 0 0 |
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Si .4287 .0957 .25 .0019 .0010 .0028 0 0 0 |
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O1 .7661 .0918 .25 .0026 .0017 .0032 .0001 0 0 |
|
O2 .2127 .4514 .25 .0068 .0007 .0039 .0001 0 0 |
|
O3 .2844 .1633 .0357 .0051 .0015 .0036 .0006 .00020 .0005 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Fayalite |
|
Hazen R M |
|
American Mineralogist 62 (1977) 286-295 |
|
Effects of temperature and pressure on the crystal structure of ferromagnesian |
|
olivine |
|
T = 300 deg C, P = 1 atm |
|
4.809 10.420 6.080 90 90 90 Pbnm |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Fe1 0 0 0 .0079 .0033 .0059 0 -.0011 -.0012 |
|
Fe2 .9876 .2797 .25 .0097 .0017 .0054 .0001 0 0 |
|
Si .4284 .0957 .25 .0049 .0020 .0051 .0001 0 0 |
|
O1 .7649 .0921 .25 .0080 .0030 .0063 .0001 0 0 |
|
O2 .2135 .4524 .25 .0115 .0017 .0062 -.0006 0 0 |
|
O3 .2847 .1631 .0375 .0088 .0032 .0063 .0008 -.0001 .0009 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Fayalite |
|
Hazen R M |
|
American Mineralogist 62 (1977) 286-295 |
|
Effects of temperature and pressure on the crystal structure of ferromagnesian |
|
olivine |
|
T = 600 deg C, P = 1 atm |
|
4.822 10.460 6.101 90 90 90 Pbnm |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Fe1 0 0 0 .0124 .0049 .0084 .0001 -.0018 -.0017 |
|
Fe2 .9878 .2802 .25 .0156 .0024 .0080 .0002 0 0 |
|
Si .4289 .0958 .25 .0075 .0026 .0070 .0003 0 0 |
|
O1 .7632 .0926 .25 .0089 .0041 .0085 .0003 0 0 |
|
O2 .2123 .4514 .25 .0184 .0019 .0104 -.0006 0 0 |
|
O3 .2853 .1631 .0370 .0144 .0043 .0083 .0014 .0003 .0016 |
|
|
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View JMOL 3-D Structure
|
| |
|
Fayalite |
|
Hazen R M |
|
American Mineralogist 62 (1977) 286-295 |
|
Effects of temperature and pressure on the crystal structure of ferromagnesian |
|
olivine |
|
T = 900 deg C,P = 1 atm |
|
4.838 10.490 6.136 90 90 90 Pbnm |
|
atom x y z Biso |
|
Fe1 0 0 0 2.37 |
|
Fe2 .9940 .2799 .25 1.69 |
|
Si .4450 .0959 .25 1.06 |
|
O1 .8140 .0882 .25 2.64 |
|
O2 .2100 .4503 .25 .89 |
|
O3 .2800 .1615 .0447 1.84 |
|
|
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|
| |
|
Fayalite |
|
Lottermoser W, Steiner K, Grodzicki M, Jiang K, Scharfetter G, Bats J W, |
|
Redhammer G J, Treutmann W, Hosoya S, Amthauer G |
| |
Physics and Chemistry of Minerals 29 (2002) 112-121 |
|
The electric field gradient in synthetic fayalite alpha-Fe2SiO4 |
|
at moderate temperatures |
|
Sample: T = 153 K |
|
10.4597 6.0818 4.8150 90 90 90 Pnma |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Fe1 0 0 0 .0042 .0053 .0035 .0038 -.0008 .0001 -.0003 |
|
Fe2 .28003 .25 .98599 .0040 .0039 .0032 .0050 0 .0000 0 |
|
Si .09745 .25 .43085 .0035 .0038 .0031 .0037 0 .0002 0 |
|
O1 .09174 .25 .76800 .0051 .0060 .0050 .0042 0 .0003 0 |
|
O2 -.04688 .25 .29110 .0049 .0040 .0050 .0057 0 -.0001 0 |
|
O3 .16580 .03601 .28842 .0053 .0062 .0039 .0059 .0010 .0002 -.0004 |
|
|
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|
| |
|
Fayalite |
|
Kudoh Y, Takeda H |
| |
Physica B 140 (1986) 333-336 |
|
Single crystal X-ray diffraction study on the bond compressibility |
|
of fayalite, Fe2SiO4 and rutile, TiO2 under high pressure |
|
Sample: P = 0.001 kbar |
|
4.822 10.488 6.094 90 90 90 Pbnm |
|
atom x y z Biso |
|
Fe1 0 0 0 .38 |
|
Fe2 .9860 .2802 .25 .34 |
|
Si .4301 .0974 .25 .29 |
|
O1 .7679 .0916 .25 .51 |
|
O2 .2104 .4541 .25 .46 |
|
O3 .2881 .1649 .0380 .59 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Fayalite |
|
Kudoh Y, Takeda H |
| |
Physica B 140 (1986) 333-336 |
|
Single crystal X-ray diffraction study on the bond compressibility |
|
of fayalite, Fe2SiO4 and rutile, TiO2 under high pressure |
|
Sample: P = 49 kbar |
|
4.793 10.310 6.041 90 90 90 Pbnm |
|
atom x y z Biso |
|
Fe1 0 0 0 .32 |
|
Fe2 .9831 .2787 .25 .35 |
|
Si .4265 .0939 .25 .28 |
|
O1 .7730 .0874 .25 .56 |
|
O2 .2129 .4530 .25 .48 |
|
O3 .2839 .1690 .0344 .38 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Fayalite |
|
Kudoh Y, Takeda H |
| |
Physica B 140 (1986) 333-336 |
|
Single crystal X-ray diffraction study on the bond compressibility |
|
of fayalite, Fe2SiO4 and rutile, TiO2 under high pressure |
|
Sample: P = 67 kbar |
|
4.773 10.252 6.026 90 90 90 Pbnm |
|
atom x y z Biso |
|
Fe1 0 0 0 .47 |
|
Fe2 .9840 .2792 .25 .47 |
|
Si .4281 .0956 .25 .29 |
|
O1 .7677 .0876 .25 .53 |
|
O2 .2079 .4489 .25 .98 |
|
O3 .2889 .1628 .0403 .48 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Fayalite |
|
Kudoh Y, Takeda H |
| |
Physica B 140 (1986) 333-336 |
|
Single crystal X-ray diffraction study on the bond compressibility |
|
of fayalite, Fe2SiO4 and rutile, TiO2 under high pressure |
|
Sample: P = 93 kbar |
|
4.757 10.153 5.985 90 90 90 Pbnm |
|
atom x y z Biso |
|
Fe1 0 0 0 .47 |
|
Fe2 .9822 .2787 .25 .47 |
|
Si .4231 .0933 .25 .29 |
|
O1 .7694 .0938 .25 .54 |
|
O2 .2071 .4507 .25 .46 |
|
O3 .2866 .1660 .0380 .18 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Fayalite |
|
Kudoh Y, Takeda H |
| |
Physica B 140 (1986) 333-336 |
|
Single crystal X-ray diffraction study on the bond compressibility |
|
of fayalite, Fe2SiO4 and rutile, TiO2 under high pressure |
|
Sample: P = 117 kbar |
|
4.756 10.089 5.976 90 90 90 Pbnm |
|
atom x y z Biso |
|
Fe1 0 0 0 .09 |
|
Fe2 .9826 .2714 .25 .92 |
|
Si .4277 .0892 .25 1.11 |
|
O1 .7832 .1019 .25 3.17 |
|
O2 .2045 .4642 .25 .59 |
|
O3 .3069 .1920 .0462 .45 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Fayalite |
|
Kudoh Y, Takeda H |
| |
Physica B 140 (1986) 333-336 |
|
Single crystal X-ray diffraction study on the bond compressibility |
|
of fayalite, Fe2SiO4 and rutile, TiO2 under high pressure |
|
Sample: P = 140 kbar |
|
4.739 9.899 5.979 90 90 90 Pbnm |
|
atom x y z Biso |
|
Fe1 0 0 0 .04 |
|
Fe2 .9771 .2746 .25 .98 |
|
Si .4265 .0891 .25 .26 |
|
O1 .8087 .0913 .25 2.65 |
|
O2 .1866 .4624 .25 .64 |
|
O3 .3010 .1855 .0455 .01 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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