American Mineralogist Crystal Structure Database

198 matching records for this search.

Forsterite
Download hom/forsterite.pdf
Nord A G, Annersten H, Filippidis A
Download am/vol67/AM67_1206.pdf
American Mineralogist 67 (1982) 1206-1211
The cation distribution in synthetic Mg-Fe-Ni olivines
sample H2
Locality: synthetic
_database_code_amcsd 0000885
4.762 10.244 5.989 90 90 90 Pbnm
atom    x    y    z occ Biso
Ni1     0    0    0 .45 -0.9
Mg1     0    0    0 .43 -0.9
Fe1     0    0    0 .12 -0.9
Mg2  .989 .278  .25 .71 -0.9
Fe2  .989 .278  .25 .22 -0.9
Ni2  .989 .278  .25 .07 -0.9
Si   .418 .098  .25     -2.3
O1   .776 .102  .25     -2.3
O2   .207 .470  .25     -2.3
O3   .274 .163 .029     -2.3
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Forsterite
Download hom/forsterite.pdf
Nord A G, Annersten H, Filippidis A
Download am/vol67/AM67_1206.pdf
American Mineralogist 67 (1982) 1206-1211
The cation distribution in synthetic Mg-Fe-Ni olivines
sample H4
Locality: synthetic
_database_code_amcsd 0000886
4.747 10.193 5.951 90 90 90 Pbnm
atom    x    y    z occ Biso
Ni1     0    0    0 .68 0.90
Mg1     0    0    0 .30 0.90
Fe1     0    0    0 .02 0.90
Mg2  .986 .277  .25 .72 0.90
Fe2  .986 .277  .25 .06 0.90
Ni2  .986 .277  .25 .22 0.90
Si   .426 .096  .25     -0.3
O1   .779 .101  .25     -0.3
O2   .207 .458  .25     -0.3
O3   .265 .167 .035     -0.3
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Forsterite
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Miyake M, Nakamura H, Kojima H, Marumo F
Download am/vol72/AM72_594.pdf
American Mineralogist 72 (1987) 594-598
Cation ordering in Co-Mg olivine solid-solution series
Sample: Co03
_database_code_amcsd 0001086
4.760 10.221 5.984 90 90 90 Pbnm
atom     x     y     z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Co1      0     0     0 .208  .0032  .0074  .0060  .0001 -.0006 -.0008
Mg1      0     0     0 .792  .0032  .0074  .0060  .0001 -.0006 -.0008
Co2  .9913 .2771   .25 .053  .0039  .0052  .0063  .0003      0      0
Mg2  .9913 .2771   .25 .947  .0039  .0052  .0063  .0003      0      0
Si   .4267 .0942   .25       .0021  .0056  .0053  .0002      0      0
O1   .7660 .0920   .25       .0027  .0069  .0065 -.0001      0      0
O2   .2200 .4470   .25       .0036  .0060  .0074 -.0001      0      0
O3   .2783 .1633 .0331       .0043  .0072  .0072  .0003 -.0006  .0018
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Forsterite
Download hom/forsterite.pdf
Miyake M, Nakamura H, Kojima H, Marumo F
Download am/vol72/AM72_594.pdf
American Mineralogist 72 (1987) 594-598
Cation ordering in Co-Mg olivine solid-solution series
Sample: Co05
_database_code_amcsd 0001087
4.765 10.225 5.986 90 90 90 Pbnm
atom     x     y     z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Co1      0     0     0 .316  .0040  .0063  .0045 -.0002 -.0005 -.0011
Mg1      0     0     0 .684  .0040  .0063  .0045 -.0002 -.0005 -.0011
Co2  .9911 .2770   .25 .085  .0049  .0042  .0054  .0003      0      0
Mg2  .9911 .2770   .25 .915  .0049  .0042  .0054  .0003      0      0
Si   .4268 .0944   .25       .0029  .0041  .0043  .0001      0      0
O1   .7666 .0923   .25       .0033  .0072  .0058  .0005      0      0
O2   .2186 .4475   .25       .0053  .0044  .0067  .0001      0      0
O3   .2787 .1635 .0334       .0051  .0068  .0052  .0004 -.0002  .0016
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Forsterite
Download hom/forsterite.pdf
Miyake M, Nakamura H, Kojima H, Marumo F
Download am/vol72/AM72_594.pdf
American Mineralogist 72 (1987) 594-598
Cation ordering in Co-Mg olivine solid-solution series
Sample: Co10
_database_code_amcsd 0001088
4.771 10.245 5.988 90 90 90 Pbnm
atom     x     y     z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Co1      0     0     0 .675  .0043  .0062  .0046 -.0002 -.0005 -.0010
Mg1      0     0     0 .325  .0043  .0062  .0046 -.0002 -.0005 -.0010
Co2  .9909 .2767   .25 .278  .0051  .0043  .0052  .0002      0      0
Mg2  .9909 .2767   .25 .722  .0051  .0043  .0052  .0002      0      0
Si   .4274 .0948   .25       .0032  .0044  .0047  .0001      0      0
O1   .7674 .0930   .25       .0042  .0074  .0060  .0006      0      0
O2   .2160 .4477   .25       .0058  .0040  .0066 -.0001      0      0
O3   .2800 .1640 .0337       .0058  .0073  .0054  .0004 -.0004  .0014
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Forsterite
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Bostrom D
Download am/vol72/AM72_965.pdf
American Mineralogist 72 (1987) 965-972
Single-crystal X-ray diffraction studies of synthetic Ni-Mg olivine solid
solutions
Sample: XNi2+ = 0.00
_database_code_amcsd 0001118
4.749 10.1985 5.9792 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)
Mg1      0     0     0  .0173  .0078  .0127 -.0007 -.0047 -.0035
Mg2  .9913 .2773   .25  .0606  .0119  .0345 -.0004      0      0
Si   .4261 .0940   .25  .0337  .0104  .0269  .0004      0      0
O1   .7658 .0919   .25  .0397  .0143  .0390 -.0008      0      0
O2    .221 .4470   .25  .0530  .0101  .0404  .0012      0      0
O3   .2774 .1630 .0329  .0508  .0148  .0343  .0029 -.0000  .0053
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Forsterite
Download hom/forsterite.pdf
Bostrom D
Download am/vol72/AM72_965.pdf
American Mineralogist 72 (1987) 965-972
Single-crystal X-ray diffraction studies of synthetic Ni-Mg olivine solid
solutions
Sample: XNi2+ = .30
_database_code_amcsd 0001119
4.7447 10.1993 5.9567 90 90 90 Pbnm
atom     x     y     z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg1      0     0     0 .464  .0501  .0156  .0314 -.0005 -.0040 -.0025
Ni1      0     0     0 .536  .0501  .0156  .0314 -.0005 -.0040 -.0025
Mg2  .9903 .2761   .25 .936  .0593  .0118  .0381  .0009      0      0
Ni2  .9903 .2761   .25 .064  .0593  .0118  .0381  .0009      0      0
Si   .4257 .0937   .25       .0414  .0110  .0305  .0013      0      0
O1   .7662 .0926   .25       .0473  .0147  .0386  .0019      0      0
O2   .2193 .4461   .25       .0628  .0110  .0416  .0005      0      0
O3   .2761 .1628 .0321       .0629  .0149  .0354  .0005 -.0025  .0049
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Forsterite
Download hom/forsterite.pdf
Bostrom D
Download am/vol72/AM72_965.pdf
American Mineralogist 72 (1987) 965-972
Single-crystal X-ray diffraction studies of synthetic Ni-Mg olivine solid
solutions
Sample: XNi2+ = .36
_database_code_amcsd 0001120
4.7437 10.1947 5.9508 90 90 90 Pbnm
atom     x     y     z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg1      0     0     0 .376  .0252  .0092  .0250 -.0001 -.0033 -.0023
Ni1      0     0     0 .624  .0252  .0092  .0250 -.0001 -.0033 -.0023
Mg2  .9902 .2758   .25   .9  .0351  .0077  .0315  .0008      0      0
Ni2  .9902 .2758   .25   .1  .0351  .0077  .0315  .0008      0      0
Si   .4257 .0935   .25       .0178  .0074  .0247  .0001      0      0
O1   .7667 .0925   .25       .0253  .0118  .0350  .0021      0      0
O2   .2196 .4459   .25       .0371  .0084  .0350 -.0012      0      0
O3   .2759 .1627 .0323       .0371  .0106  .0335 -.0008 -.0030  .0047
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Forsterite
Download hom/forsterite.pdf
Ottonello G, Della Giusta A, Molin G M
Download am/vol74/AM74_411.pdf
American Mineralogist 74 (1989) 411-421
Cation ordering in Ni-Mg olivines
sample Ni.30B, synthesized at 902 C, then quenched
Mg1.4Ni.6SiO4
_database_code_amcsd 0001216
4.7458 10.1986 5.9563 90 90 90 Pbnm
atom     x     y     z  occ Biso
Mg1      0     0     0 .468 0.57
Ni1      0     0     0 .532 0.57
Mg2  .9900 .2761   .25 .932 0.62
Ni2  .9900 .2761   .25 .068 0.62
Si   .4257 .0936   .25      0.51
O1   .7660 .0924   .25      0.59
O2   .2202 .4461   .25      0.58
O3   .2763 .1626 .0326      0.62
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Forsterite
Download hom/forsterite.pdf
Ottonello G, Della Giusta A, Molin G M
Download am/vol74/AM74_411.pdf
American Mineralogist 74 (1989) 411-421
Cation ordering in Ni-Mg olivines
sample Ni.30B, heated at 1150 C, then quenched
Mg1.4Ni.6SiO4
_database_code_amcsd 0001217
4.7453 10.1926 5.9559 90 90 90 Pbnm
atom     x     y     z  occ Biso
Ni1      0     0     0 .495 0.50
Mg1      0     0     0 .505 0.50
Ni2  .9908 .2760   .25 .121 0.56
Mg2  .9908 .2760   .25 .879 0.56
Si   .4257 .0936   .25      0.43
O1   .7673 .0924   .25      0.55
O2   .2198 .4463   .25      0.53
O3   .2767 .1628 .0324      0.56
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Forsterite
Download hom/forsterite.pdf
Ottonello G, Della Giusta A, Molin G M
Download am/vol74/AM74_411.pdf
American Mineralogist 74 (1989) 411-421
Cation ordering in Ni-Mg olivines
sample Ni.30B, heated at 1300 C, then quenched
Mg1.4Ni.6SiO4
_database_code_amcsd 0001218
4.7452 10.1909 5.9583 90 90 90 Pbnm
atom     x     y     z  occ Biso
Ni1      0     0     0 .478 0.61
Mg1      0     0     0 .522 0.61
Ni2  .9909 .2760   .25 .139 0.67
Mg2  .9909 .2760   .25 .861 0.67
Si   .4262 .0936   .25      0.54
O1   .7666 .0924   .25      0.56
O2   .2199 .4463   .25      0.59
O3   .2765 .1627 .0322      0.65
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Forsterite
Download hom/forsterite.pdf
Ottonello G, Della Giusta A, Molin G M
Download am/vol74/AM74_411.pdf
American Mineralogist 74 (1989) 411-421
Cation ordering in Ni-Mg olivines
sample Ni.30A, synthesized at 902 C, then quenched
Mg1.4Ni.6SiO4
_database_code_amcsd 0001219
4.7466 10.2003 5.9556 90 90 90 Pbnm
atom     x     y     z  occ Biso
Ni1      0     0     0 .533 0.60
Mg1      0     0     0 .467 0.60
Ni2  .9904 .2762   .25 .065 0.64
Mg2  .9904 .2762   .25 .935 0.64
Si   .4258 .0936   .25      0.53
O1   .7669 .0925   .25      0.62
O2   .2196 .4464   .25      0.63
O3   .2765 .1626 .0323      0.66
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Forsterite
Download hom/forsterite.pdf
Ottonello G, Della Giusta A, Molin G M
Download am/vol74/AM74_411.pdf
American Mineralogist 74 (1989) 411-421
Cation ordering in Ni-Mg olivines
sample Ni.30A, heated to 800 C, then quenched
Mg1.4Ni.6SiO4
_database_code_amcsd 0001220
4.7459 10.1950 5.9559 90 90 90 Pbnm
atom     x     y     z  occ Biso
Ni1      0     0     0 .508 0.65
Mg1      0     0     0 .492 0.65
Ni2  .9906 .2760   .25 .089 0.70
Mg2  .9906 .2760   .25 .911 0.79
Si   .4261 .0936   .25      0.59
O1   .7667 .0927   .25      0.66
O2   .2210 .4462   .25      0.71
O3   .2760 .1628 .0321      0.73
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Forsterite
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Birle J D, Gibbs G V, Moore P B, Smith J V
Download am/vol53/AM53_807.pdf
American Mineralogist 53 (1968) 807-824
Crystal structures of natural olivines
_database_code_amcsd 0000171
4.762 10.225 5.994 90 90 90 Pbnm
atom      x      y      z occ Biso
Mg1       0      0      0  .9  .33
Fe1       0      0      0  .1  .33
Mg2  .98975 .27743    .25  .9  .36
Fe2  .98975 .27743    .25  .1  .36
Si   .42693 .09434    .25      .20
O1   .76580 .09186    .25      .35
O2   .22012 .44779    .25      .42
O3   .27810 .16346 .03431      .41
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Forsterite
Download hom/forsterite.pdf
Birle J D, Gibbs G V, Moore P B, Smith J V
Download am/vol53/AM53_807.pdf
American Mineralogist 53 (1968) 807-824
Crystal structures of natural olivines
Note: variety hyalosiderite
_database_code_amcsd 0000172
4.785 10.325 6.038 90 90 90 Pbnm
atom      x      y      z  occ Biso
Mg1       0      0      0 .535  .32
Fe1       0      0      0 .456  .32
Mn1       0      0      0 .006  .32
Ca1       0      0      0 .002  .32
Mg2  .98598 .27880    .25 .535  .37
Fe2  .98598 .27880    .25 .456  .37
Mn2  .98598 .27880    .25 .006  .37
Ca2  .98598 .27880    .25 .002  .37
Si   .42843 .09587    .25       .19
O1   .76566 .09430    .25       .40
O2   .21642 .45084    .25       .56
O3   .28264 .16370 .03435       .50
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Forsterite
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Baur W H
Download am/vol57/AM57_709.pdf
American Mineralogist 57 (1972) 709-731
Computer-simulated crystal structures of observed and hypothetical Mg2SiO4
polymorphs of low and high density
Locality: hypothetical
_database_code_amcsd 0000276
4.79 10.19 5.85 90 90 90 Pbnm
atom     x     y     z
Si   .0945 .4078   .25
Mg1      0     0     0
Mg2  .0056 .2632   .75
O1   .2499 .0907   .75
O2   .2832 .0578   .25
O3   .2312 .3370 .4707
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Forsterite
Download hom/forsterite.pdf
Brown G E, Prewitt C T
Download am/vol58/AM58_577.pdf
American Mineralogist 58 (1973) 577-587
High-temperature crystal chemistry of hortonolite
sample #12018 at T = 24 C
Note: variety hortonolite
_database_code_amcsd 0000323
4.771 10.274 6.011 90 90 90 Pbnm
atom     x     y     z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Si   .4270 .0946   .25       .0021  .0008  .0028  .0001      0      0
Mg1      0     0     0 .814  .0027  .0012  .0027      0 -.0004 -.0004
Fe1      0     0     0 .186  .0027  .0012  .0027      0 -.0004 -.0004
Mg2  .9888 .2778   .25 .826  .0044  .0007  .0030  .0001      0      0
Fe2  .9888 .2778   .25 .164  .0044  .0007  .0030  .0001      0      0
Ca2  .9888 .2778   .25 .010  .0044  .0007  .0030  .0001      0      0
O1   .7661 .0918   .25       .0029  .0014  .0038  .0002      0      0
O2   .2194 .4482   .25       .0041  .0010  .0040      0      0      0
O3   .2795 .1634 .0336       .0046  .0014  .0040  .0001 -.0002  .0005
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Forsterite
Download hom/forsterite.pdf
Brown G E, Prewitt C T
Download am/vol58/AM58_577.pdf
American Mineralogist 58 (1973) 577-587
High-temperature crystal chemistry of hortonolite
sample #OG2B at T = 24 C
Note: variety hortonolite
_database_code_amcsd 0000324
4.775 10.28 6.016 90 90 90 Pbnm
atom     x     y     z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3)  B(2,3)
Si   .4275 .0950   .25       .0019  .0008  .0023  .0001      0       0
Mg1      0     0     0 .708  .0025  .0013  .0022  .0001 -.0002 -.00005
Fe1      0     0     0 .292  .0025  .0013  .0022  .0001 -.0002 -.00005
Mg2  .9880 .2782   .25 .712  .0045  .0009  .0026  .0002      0       0
Fe2  .9880 .2782   .25 .288  .0045  .0009  .0026  .0002      0       0
O1   .7666 .0919   .25       .0030  .0016  .0034  .0003      0       0
O2   .2179 .4489   .25       .0049  .0010  .0033 -.0004      0       0
O3   .2806 .1638 .0340       .0041  .0016  .0031  .0001 -.0001  .00060
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Forsterite
Download hom/forsterite.pdf
Brown G E, Prewitt C T
Download am/vol58/AM58_577.pdf
American Mineralogist 58 (1973) 577-587
High-temperature crystal chemistry of hortonolite
sample #12052 at T = 24 C
Note: variety hortonolite
_database_code_amcsd 0000325
4.785 10.298 6.028 90 90 90 Pbnm
atom     x     y     z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Si   .4276 .0952   .25       .0027  .0005  .0029  .0001      0      0
Mg1      0     0     0 .675  .0036  .0009  .0026      0 -.0004 -.0004
Fe1      0     0     0 .325  .0036  .0009  .0026      0 -.0004 -.0004
Mg2  .9877 .2783   .25 .705  .0053  .0003  .0028  .0001      0      0
Fe2  .9877 .2783   .25 .285  .0053  .0003  .0028  .0001      0      0
Ca2  .9877 .2783   .25 .010  .0053  .0003  .0028  .0001      0      0
O1   .7659 .0920   .25       .0036  .0009  .0041  .0001      0      0
O2   .2181 .4493   .25       .0057  .0005  .0036  .0002      0      0
O3   .2809 .1637 .0340       .0054  .0011  .0046  .0003 -.0001  .0006
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Forsterite
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Brown G E, Prewitt C T
Download am/vol58/AM58_577.pdf
American Mineralogist 58 (1973) 577-587
High-temperature crystal chemistry of hortonolite
sample #12052 T = 375 C
Note: variety hortonolite
_database_code_amcsd 0000326
4.795 10.337 6.045 90 90 90 Pbnm
atom     x     y     z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Si   .4279 .0952   .25       .0052  .0012  .0050  .0001      0      0
Mg1      0     0     0 .677  .0084  .0025  .0053 -.0001 -.0010 -.0010
Fe1      0     0     0 .323  .0084  .0025  .0053 -.0001 -.0010 -.0010
Mg2  .9886 .2788   .25 .703  .0112  .0013  .0060  .0001      0      0
Fe2  .9886 .2788   .25 .287  .0112  .0013  .0060  .0001      0      0
Ca2  .9886 .2788   .25 .010  .0112  .0013  .0060  .0001      0      0
O1   .7654 .0919   .25       .0048  .0027  .0064  .0006      0      0
O2   .2177 .4496   .25       .0111  .0012  .0070 -.0003      0      0
O3   .2816 .1636 .0348       .0102  .0024  .0064  .0002 -.0005  .0011
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Forsterite
Download hom/forsterite.pdf
Brown G E, Prewitt C T
Download am/vol58/AM58_577.pdf
American Mineralogist 58 (1973) 577-587
High-temperature crystal chemistry of hortonolite
sample #12052 at T = 710 C
Note: variety hortonolite
_database_code_amcsd 0000327
4.805 10.366 6.068 90 90 90 Pbnm
atom     x     y     z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Si   .4274 .0950   .25       .0069  .0024  .0081  .0001      0      0
Mg1      0     0     0 .670  .0111  .0045  .0093 -.0002 -.0015 -.0017
Fe1      0     0     0 .330  .0111  .0045  .0093 -.0002 -.0015 -.0017
Mg2  .9892 .2792   .25 .710  .0146  .0027  .0103  .0001      0      0
Fe2  .9892 .2792   .25 .280  .0146  .0027  .0103  .0001      0      0
Ca2  .9892 .2792   .25 .010  .0146  .0027  .0103  .0001      0      0
O1   .7650 .0925   .25       .0074  .0036  .0124  .0009      0      0
O2   .2169 .4507   .25       .0119  .0032  .0101 -.0001      0      0
O3   .2829 .1636 .0357       .0131  .0044  .0108  .0005 -.0002  .0017
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Forsterite
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Smyth J R, Hazen R M
Download am/vol58/AM58_588.pdf
American Mineralogist 58 (1973) 588-593
The crystal structures of forsterite and hortonolite at several temperatures
up to 900 C
T = 25 C
Locality: synthetic
_database_code_amcsd 0000328
4.756 10.207 5.980 90 90 90 Pbnm
atom     x     y     z Biso
Mg1      0     0     0  .26
Mg2  .9915 .2774   1/4  .22
Si   .4262 .0940   1/4  .08
O1   .7657 .0913   1/4  .27
O2   .2215 .4474   1/4  .24
O3   .2777 .1628 .0331  .27
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Forsterite
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Smyth J R, Hazen R M
Download am/vol58/AM58_588.pdf
American Mineralogist 58 (1973) 588-593
The crystal structures of forsterite and hortonolite at several temperatures
up to 900 C
T = 300 C
Locality: synthetic
_database_code_amcsd 0000329
4.763 10.240 5.999 90 90 90 Pbnm
atom     x     y     z Biso
Mg1      0     0     0  .60
Mg2  .9915 .2780   1/4  .57
Si   .4257 .0939   1/4  .25
O1   .7657 .0910   1/4  .63
O2   .2177 .4492   1/4  .52
O3   .2806 .1619 .0347  .59
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Forsterite
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Smyth J R, Hazen R M
Download am/vol58/AM58_588.pdf
American Mineralogist 58 (1973) 588-593
The crystal structures of forsterite and hortonolite at several temperatures
up to 900 C
T = 600 C
Locality: synthetic
_database_code_amcsd 0000330
4.778 10.290 6.017 90 90 90 Pbnm
atom     x     y     z Biso
Mg1      0     0     0 1.17
Mg2  .9919 .2785   1/4 1.14
Si   .4257 .0941   1/4  .61
O1   .7637 .0906   1/4 1.10
O2   .2178 .4497   1/4  .95
O3   .2822 .1619 .0352 1.10
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Forsterite
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Smyth J R, Hazen R M
Download am/vol58/AM58_588.pdf
American Mineralogist 58 (1973) 588-593
The crystal structures of forsterite and hortonolite at several temperatures
up to 900 C
T = 900 C
Locality: synthetic
_database_code_amcsd 0000331
4.795 10.355 6.060 90 90 90 Pbnm
atom     x     y     z Biso
Mg1      0     0     0 1.77
Mg2  .9924 .2795   1/4 1.69
Si   .4263 .0943   1/4  .96
O1   .7631 .0914   1/4 1.59
O2   .2178 .4497   1/4 1.40
O3   .2843 .1629 .0359 1.72
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Forsterite
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Hazen R M
Download am/vol61/AM61_1280.pdf
American Mineralogist 61 (1976) 1280-1293
Effects of temperature and pressure on the crystal structure of forsterite
T = -196 C, P = 1 atm
olivine
_database_code_amcsd 0000545
4.746 10.18 5.976 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)
Si   .4261 .0939   .25 -.0018  .0002  .0002  .0001      0      0
Mg1      0     0     0  .0002  .0005  .0002  .0002 -.0001 -.0002
Mg2  .9914 .2772   .25  .0001  .0004  .0004 -.0000      0      0
O1   .7661 .0919   .25 -.0002  .0005  .0011  .0005      0      0
O2   .2202 .4469   .25 -.0002  .0001  .0008      0      0      0
O3   .2777 .1628 .0333 -.0002  .0004  .0002      0  .0003      0
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Forsterite
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Hazen R M
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American Mineralogist 61 (1976) 1280-1293
Effects of temperature and pressure on the crystal structure of forsterite
T = 23 C, P = 1 atm
olivine
_database_code_amcsd 0000546
4.752 10.193 5.977 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)
Si   .4262 .0940   .25  .0008 .00043  .0008 .00005      0      0
Mg1      0     0     0  .0024 .00102  .0010 .00010 -.0003 -.0003
Mg2  .9915 .2774   .25  .0022 .00060  .0016      0      0      0
O1   .7657 .0913   .25  .0009 .00090  .0023 .00020      0      0
O2   .2215 .4474   .25  .0024 .00070  .0022 .00010      0      0
O3   .2777 .1628 .0331  .0022 .00093  .0016 .00010 -.0003  .0004
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Forsterite
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Hazen R M
Download am/vol61/AM61_1280.pdf
American Mineralogist 61 (1976) 1280-1293
Effects of temperature and pressure on the crystal structure of forsterite
T = 350 C P = 1 atm
olivine
_database_code_amcsd 0000547
4.763 10.24 5.999 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)
Si   .4257 .0939   .25  .0026  .0010  .0025   .0001      0      0
Mg1      0     0     0  .0075  .0021  .0029  -.0001 -.0005 -.0007
Mg2  .9915 .2780   .25  .0081  .0014  .0045  .00005      0      0
O1   .7657 .0910   .25  .0094  .0012  .0051   .0003      0      0
O2   .2178 .4492   .25  .0073  .0014  .0040  -.0001      0      0
O3   .2822 .1619 .0347  .0082  .0016  .0037  -.0003 -.0002 0.0006
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Forsterite
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Hazen R M
Download am/vol61/AM61_1280.pdf
American Mineralogist 61 (1976) 1280-1293
Effects of temperature and pressure on the crystal structure of forsterite
T = 675 C P = 1 atm
olivine
_database_code_amcsd 0000548
4.778 10.29 6.017 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)
Si   .4257 .0941   .25  .0038  .0018  .0059  .0003      0      0
Mg1      0     0     0  .0107  .0039  .0068 -.0002 -.0010 -.0012
Mg2  .9919 .2785   .25  .0124  .0027  .0091  .0002      0      0
O1   .7637 .0906   .25  .0098  .0028  .0088  .0009      0      0
O2   .2178 .4497   .25  .0100  .0024  .0078 -.0001      0      0
O3   .2822 .1619 .0352  .0112  .0030  .0080 -.0005 -.0005  .0012
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Forsterite
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Hazen R M
Download am/vol61/AM61_1280.pdf
American Mineralogist 61 (1976) 1280-1293
Effects of temperature and pressure on the crystal structure of forsterite
T = 1000 C P = 1 atm
olivine
_database_code_amcsd 0000549
4.795 10.36 6.06 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)
Si   .4263 .0943   .25  .0068  .0027  .0077   .0004      0      0
Mg1      0     0     0  .0154  .0059  .0092  -.0004 -.0017 -.0017
Mg2  .9924 .2772   .25  .0183  .0038  .0122   .0005      0      0
O1   .7631 .0914   .25  .0118  .0043  .0108   .0046      0      0
O2   .2178 .4497   .25  .0135  .0032  .0106       0      0      0
O3   .2843 .1629 .0359  .0163  .0045  .0103  -.0003 -.0005  .0019
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Forsterite
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Hazen R M
Download am/vol61/AM61_1280.pdf
American Mineralogist 61 (1976) 1280-1293
Effects of temperature and pressure on the crystal structure of forsterite
T = 23 C P = 20 kb
olivine
_database_code_amcsd 0000550
4.743 10.09 5.954 90 90 90 Pbnm
atom    x    y    z Biso
Si   .427 .095  .25  .37
Mg1     0    0    0  .16
Mg2  .992 .277  .25  .37
O1   .771 .092  .25  -.1
O2   .227 .447  .25   .0
O3   .278 .162 .037   .2
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Forsterite
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Hazen R M
Download am/vol61/AM61_1280.pdf
American Mineralogist 61 (1976) 1280-1293
Effects of temperature and pressure on the crystal structure of forsterite
T = 23 C P = 40 kb
olivine
_database_code_amcsd 0000551
4.734 10.02 5.940 90 90 90 Pbnm
atom    x    y    z Biso
Si   .426 .093  .25  .45
Mg1     0    0    0  .37
Mg2  .991 .280  .25  .52
O1   .768 .097  .25   .1
O2   .228 .444  .25   .0
O3   .276 .158 .035   .4
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Forsterite
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Hazen R M
Download am/vol61/AM61_1280.pdf
American Mineralogist 61 (1976) 1280-1293
Effects of temperature and pressure on the crystal structure of forsterite
T = 23 C P = 50 kb
olivine
_database_code_amcsd 0000552
4.712 9.97 5.955 90 90 90 Pbnm
atom    x    y    z Biso
Si   .428 .101  .25   .7
Mg1     0    0    0   .2
Mg2  .993 .283  .25   .6
O1   .776 .103  .25   .1
O2   .228 .440  .25   .4
O3   .281 .153 .032   .6
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Forsterite
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Francis C A, Ribbe P H
Download am/vol65/AM65_1263.pdf
American Mineralogist 65 (1980) 1263-1269
The forsterite-tephroite series: I. Crystal structure refinements
Sample: Fo51 olivine
Locality: Langban, Sweden
_database_code_amcsd 0000801
4.794 10.491 6.123 90 90 90 Pbnm
atom     x     y     z occ B(1,1)  B(2,2)  B(3,3)  B(1,2) B(1,3)  B(2,3)
Mg1      0     0     0     0.0031 0.00135 0.00250 -.00010 -.0005 -.00034
Mn2  .9870 .2790   .25 .97 0.0061 0.00116 0.00366 0.00024      0       0
Mg2  .9870 .2790   .25 .03 0.0061 0.00116 0.00366 0.00024      0       0
Si   .4226 .0910   .25     0.0031 0.00096 0.00250       0      0       0
O1   .7585 .0867   .25     0.0022 0.00170 0.00370 -.00020      0       0
O2   .2301 .4489   .25     0.0040 0.00110 0.00380 -.00050      0       0
O3   .2782 .1590 .0374     0.0039 0.00130 0.00360 0.00000 0.0000 0.00040
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Forsterite
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Artioli G, Rinaldi R, Wilson C C, Zanazzi P F
Download am/vol80/AM80_197.pdf
American Mineralogist 80 (1995) 197-200
High-temperature Fe-Mg cation partitioning in olivine: In-situ single-crystal
neutron diffraction study
T = room temperature
Atomic parameters obtained from the ICSD
_database_code_amcsd 0001718
4.740 10.230 5.960 90 90 90 Pbnm
atom     x     y     z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg1      0     0     0 .879  .0053  .0049  .0058 -.0012 -.0004 -.0005
Fe1      0     0     0 .121  .0053  .0049  .0058 -.0012 -.0004 -.0005
Mg2  .9897 .2788   .25 .881  .0073  .0049  .0060  .0006      0      0
Fe2  .9897 .2788   .25 .119  .0073  .0049  .0060  .0006      0      0
Si   .4275 .0937   .25       .0039  .0017  .0039  .0011      0      0
O1   .7666 .0909   .25       .0050  .0072  .0060  .0007      0      0
O2   .2207 .4487   .25       .0069  .0018  .0071  .0002      0      0
O3   .2788 .1637 .0337       .0068  .0058  .0062  .0002  .0002  .0010
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Forsterite
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Artioli G, Rinaldi R, Wilson C C, Zanazzi P F
Download am/vol80/AM80_197.pdf
American Mineralogist 80 (1995) 197-200
High-temperature Fe-Mg cation partitioning in olivine: In-situ single-crystal
neutron diffraction study
T = 880 C
Atomic parameters obtained from the ICSD
_database_code_amcsd 0001719
4.76 10.33 6.05 90 90 90 Pbnm
atom     x     y     z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg1      0     0     0 .868  .0303  .0229  .0197  .0022 -.0050 -.0023
Fe1      0     0     0 .132  .0303  .0229  .0197  .0022 -.0050 -.0023
Mg2  .9922 .2782   .25 .892  .0251  .0141  .0252  .0029      0      0
Fe2  .9922 .2782   .25 .108  .0251  .0141  .0252  .0029      0      0
Si   .4266 .0944   .25       .0058  .0081  .0194  .0037      0      0
O1   .7671 .0913   .25       .0139  .0201  .0196  .0071      0      0
O2   .2203 .4504   .25       .0117  .0090  .0292 -.0024      0      0
O3   .2813 .1630 .0356       .0203  .0170  .0196 -.0019 -.0035  .0089
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Forsterite
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Artioli G, Rinaldi R, Wilson C C, Zanazzi P F
Download am/vol80/AM80_197.pdf
American Mineralogist 80 (1995) 197-200
High-temperature Fe-Mg cation partitioning in olivine: In-situ single-crystal
neutron diffraction study
T = 960 C
Atomic parameters obtained from the ICSD
_database_code_amcsd 0001720
4.769 10.33 6.037 90 90 90 Pbnm
atom     x     y     z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg1      0     0     0 .902  .0197  .0326  .0190 -.0039 -.0029 -.0048
Fe1      0     0     0 .098  .0197  .0326  .0190 -.0039 -.0029 -.0048
Mg2  .9923 .2799   .25 .858  .0253  .0207  .0259  .0028      0      0
Fe2  .9923 .2799   .25 .142  .0253  .0207  .0259  .0028      0      0
Si   .4270 .0938   .25       .0084  .0191  .0140  .0022      0      0
O1   .7650 .0912   .25       .0133  .0275  .0212  .0014      0      0
O2   .2205 .4502   .25       .0214  .0125  .0233 -.0001      0      0
O3   .2825 .1634 .0355       .0200  .0228  .0208  .0003 -.0009  .0066
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Forsterite
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Artioli G, Rinaldi R, Wilson C C, Zanazzi P F
Download am/vol80/AM80_197.pdf
American Mineralogist 80 (1995) 197-200
High-temperature Fe-Mg cation partitioning in olivine: In-situ single-crystal
neutron diffraction study
T = 1030 C
Atomic parameters obtained from the ICSD
_database_code_amcsd 0001721
4.772 10.35 6.053 90 90 90 Pbnm
atom     x     y     z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg1      0     0     0 .907  .0255  .0282  .0199 -.0055 -.0039 -.0058
Fe1      0     0     0 .093  .0255  .0282  .0199 -.0055 -.0039 -.0058
Mg2  .9915 .2804   .25 .853  .0299  .0175  .0268  .0013      0      0
Fe2  .9915 .2804   .25 .147  .0299  .0175  .0268  .0013      0      0
Si   .4276 .0941   .25       .0108  .0181  .0165  .0025      0      0
O1   .7641 .0909   .25       .0150  .0191  .0236  .0014      0      0
O2   .2217 .4515   .25       .0243  .0108  .0262  .0010      0      0
O3   .2820 .1635 .0359       .0255  .0165  .0223  .0005 -.0013  .0078
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Forsterite
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Artioli G, Rinaldi R, Wilson C C, Zanazzi P F
Download am/vol80/AM80_197.pdf
American Mineralogist 80 (1995) 197-200
High-temperature Fe-Mg cation partitioning in olivine: In-situ single-crystal
neutron diffraction study
T = 1060 C
Atomic parameters obtained from the ICSD
_database_code_amcsd 0001722
4.770 10.380 6.070 90 90 90 Pbnm
atom     x     y     z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg1      0     0     0 .914  .0256  .0384  .0300  .0064 -.0018 -.0039
Fe1      0     0     0 .086  .0256  .0384  .0300  .0064 -.0018 -.0039
Mg2  .9939 .2785   .25 .846  .0383  .0204  .0394 -.0039      0      0
Fe2  .9939 .2785   .25 .154  .0383  .0204  .0394 -.0039      0      0
Si   .4269 .0951   .25       .0095  .0173  .0147  .0008      0      0
O1   .7640 .0926   .25       .0204  .0265  .0310  .0022      0      0
O2   .2206 .4513   .25       .0291  .0068  .0361 -.0024      0      0
O3   .2806 .1624 .0361       .0184  .0294  .0382  .0006 -.0009  .0093
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Forsterite
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Merli M, Oberti R, Caucia F, Ungaretti L
Download am/vol86/AM86_55.pdf
American Mineralogist 86 (2001) 55-65
Determination of site population in olivine: Warnings on X-ray data
treatment and refinement
Sample: F-refinement using CRYSTALS, the "best" model
Fo92Fa08
_database_code_amcsd 0002600
4.7579 10.2151 5.9890 90 90 90 Pbnm
atom     x     y     z occ U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Mg1      0     0     0 .92 .00473 .00639 .00506 -.00015 -.00060 -.00109
Fe1      0     0     0 .08 .00473 .00639 .00506 -.00015 -.00060 -.00109
Mg2  .9901 .2776   .25 .92 .00618 .00431 .00596  .00016       0       0
Fe2  .9901 .2776   .25 .08 .00618 .00431 .00596  .00016       0       0
Si   .4267 .0943   .25     .00309 .00374 .00447  .00011       0       0
O1   .7659 .0917   .25     .00361 .00651 .00605  .00013       0       0
O2   .2208 .4475   .25     .00551 .00385 .00647 -.00008       0       0
O3   .2781 .1633 .0333     .00545 .00620 .00573  .00028 -.00015  .00156
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Forsterite
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Merli M, Oberti R, Caucia F, Ungaretti L
Download am/vol86/AM86_55.pdf
American Mineralogist 86 (2001) 55-65
Determination of site population in olivine: Warnings on X-ray data
treatment and refinement
Sample: F**2-refinement using CRYSTALS
Fo92Fa08
_database_code_amcsd 0002601
4.7579 10.2151 5.9890 90 90 90 Pbnm
atom     x     y     z occ U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Mg1      0     0     0 .92 .00473 .00632 .00511  .00018 -.00065 -.00107
Fe1      0     0     0 .08 .00473 .00632 .00511  .00018 -.00065 -.00107
Mg2  .9901 .2776   .25 .92 .00619 .00422 .00595  .00010       0       0
Fe2  .9901 .2776   .25 .08 .00619 .00422 .00595  .00010       0       0
Si   .4267 .0943   .25     .00308 .00375 .00452  .00014       0       0
O1   .7661 .0918   .25     .00357 .00658 .00599  .00023       0       0
O2   .2208 .4475   .25     .00554 .00388 .00655  .00002       0       0
O3   .2781 .1633 .0333     .00547 .00624 .00565  .00032 -.00020  .00150
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Forsterite
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Merli M, Oberti R, Caucia F, Ungaretti L
Download am/vol86/AM86_55.pdf
American Mineralogist 86 (2001) 55-65
Determination of site population in olivine: Warnings on X-ray data
treatment and refinement
Sample: F**2-refinement using SHELX-97
Fo92Fa08
_database_code_amcsd 0002602
4.7579 10.2151 5.9890 90 90 90 Pbnm
atom     x     y     z occ U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Mg1      0     0     0 .92 .00476 .00643 .00511 -.00014 -.00064 -.00110
Fe1      0     0     0 .08 .00476 .00643 .00511  .00014 -.00064 -.00110
Mg2  .9901 .2776   .25 .93 .00621 .00433 .00599  .00014       0       0
Fe2  .9901 .2776   .25 .07 .00621 .00433 .00599  .00014       0       0
Si   .4267 .0943   .25     .00314 .00379 .00450  .00010       0       0
O1   .7661 .0917   .25     .00361 .00649 .00603  .00011       0       0
O2   .2208 .4475   .25     .00554 .00385 .00645 -.00010       0       0
O3   .2781 .1633 .0333     .00543 .00619 .00573  .00029 -.00015  .00154
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Forsterite
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Merli M, Oberti R, Caucia F, Ungaretti L
Download am/vol86/AM86_55.pdf
American Mineralogist 86 (2001) 55-65
Determination of site population in olivine: Warnings on X-ray data
treatment and refinement
Sample: F-refinement using CRYSTALS on the 2491 reflections with Fo/sFo>1
Fo92Fa08
_database_code_amcsd 0002603
4.7579 10.2151 5.9890 90 90 90 Pbnm
atom     x     y     z occ U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Mg1      0     0     0 .92 .00474 .00639 .00509 -.00014 -.00061 -.00110
Fe1      0     0     0 .08 .00474 .00639 .00509 -.00014 -.00061 -.00110
Mg2  .9901 .2776   .25 .93 .00618 .00432 .00596  .00017       0       0
Fe2  .9901 .2776   .25 .07 .00618 .00432 .00596  .00017       0       0
Si   .4267 .0943   .25     .00309 .00374 .00447  .00011       0       0
O1   .7660 .0917   .25     .00361 .00651 .00605  .00013       0       0
O2   .2208 .4475   .25     .00551 .00385 .00647 -.00008       0       0
O3   .2781 .1633 .0333     .00545 .00620 .00573  .00027 -.00015  .00156
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Forsterite
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Merli M, Oberti R, Caucia F, Ungaretti L
Download am/vol86/AM86_55.pdf
American Mineralogist 86 (2001) 55-65
Determination of site population in olivine: Warnings on X-ray data
treatment and refinement
Sample: F-refinement using CRYSTALS on the 463 reflections with sin(theta)/lambda>.7
Fo92Fa08
_database_code_amcsd 0002604
4.7579 10.2151 5.9890 90 90 90 Pbnm
atom     x     y     z occ U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Mg1      0     0     0 .92 .00640 .00805 .00621  .00000 -.00060 -.00091
Fe1      0     0     0 .08 .00640 .00805 .00621  .00000 -.00060 -.00091
Mg2  .9904 .2776   .25 .93 .00810 .00640 .00728  .00013       0       0
Fe2  .9904 .2776   .25 .07 .00810 .00640 .00728  .00013       0       0
Si   .4265 .0943   .25     .00480 .00585 .00579  .00000       0       0
O1   .7664 .0917   .25     .00670 .00850 .00720  .00000       0       0
O2   .2205 .4477   .25     .00730 .00610 .00720  .00070       0       0
O3   .2782 .1632 .0334     .00800 .00800 .00740  .00027 -.00007  .00120
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Forsterite
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Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
Download am/vol86/AM86_1170.pdf
American Mineralogist 86 (2001) 1170-1187
Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
a time-of-flight neutron powder diffraction and EXAFS study
Sample: Mg85Ni15 at room temperature
_database_code_amcsd 0002674
4.7515 10.199 5.9696 90 90 90 Pbnm
atom     x     y     z  occ Biso
Ni1      0     0     0 .260  .37
Mg1      0     0     0 .740  .37
Ni2  .9909 .2769   .25 .040  .45
Mg2  .9909 .2769   .25 .960  .45
Si   .4256 .0938   .25       .24
O1   .7667 .0924   .25       .41
O2   .2211 .4468   .25       .43
O3   .2766 .1629 .0328       .44
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Forsterite
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Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
Download am/vol86/AM86_1170.pdf
American Mineralogist 86 (2001) 1170-1187
Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
A time-of-flight neutron powder diffraction and EXAFS study
Sample: Mg80Ni20 at room temperature
_database_code_amcsd 0002675
4.7487 10.201 5.9678 90 90 90 Pbnm
atom     x     y     z  occ Biso
Ni1      0     0     0 .348 0.39
Mg1      0     0     0 .652 0.39
Ni2  .9910 .2768   .25 .052 0.48
Mg2  .9910 .2768   .25 .948 0.48
Si   .4253 .0936   .25      0.28
O1   .7664 .0924   .25      0.45
O2   .2218 .4467   .25      0.47
O3   .2765 .1626 .0324      0.49
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Forsterite
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Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
Download am/vol86/AM86_1170.pdf
American Mineralogist 86 (2001) 1170-1187
Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
A time-of-flight neutron powder diffraction and EXAFS study
Sample: Mg75Ni25 at room temperature
_database_code_amcsd 0002676
4.7473 10.196 5.9597 90 90 90 Pbnm
atom     x     y     z  occ Biso
Ni1      0     0     0 .424 0.39
Mg1      0     0     0 .576 0.39
Ni2  .9908 .2765   .25 .076 0.45
Mg2  .9908 .2765   .25 .924 0.45
Si   .4256 .0937   .25      0.26
O1   .7670 .0927   .25      0.42
O2   .2208 .4464   .25      0.45
O3   .2763 .1627 .0325      0.45
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Forsterite
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Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
Download am/vol86/AM86_1170.pdf
American Mineralogist 86 (2001) 1170-1187
Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
A time-of-flight neutron powder diffraction and EXAFS study
Sample: Mg70Ni30 at room temperature
_database_code_amcsd 0002677
4.7460 10.194 5.9568 90 90 90 Pbnm
atom     x     y     z  occ Biso
Ni1      0     0     0 .495 0.39
Mg1      0     0     0 .505 0.39
Ni2  .9908 .2763   .25 .105 0.44
Mg2  .9908 .2763   .25 .895 0.44
Si   .4255 .0936   .25      0.25
O1   .7675 .0928   .25      0.41
O2   .2206 .4463   .25      0.44
O3   .2760 .1627 .0324      0.43
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Forsterite
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Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
Download am/vol86/AM86_1170.pdf
American Mineralogist 86 (2001) 1170-1187
Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
A time-of-flight neutron powder diffraction and EXAFS study
Sample: Mg50Ni50 at T = 25 C
_database_code_amcsd 0002680
4.74016 10.1874 5.94729 90 90 90 Pbnm
atom     x     y     z  occ Biso
Ni1      0     0     0 .727 0.22
Mg1      0     0     0 .273 0.22
Ni2  .9919 .2758   .25 .273 0.23
Mg2  .9919 .2758   .25 .727 0.23
Si   .4261 .0922   .25      0.05
O1   .7678 .0928   .25      0.26
O2   .2209 .4460   .25      0.28
O3   .2751 .1625 .0329      0.24
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Forsterite
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Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
Download am/vol86/AM86_1170.pdf
American Mineralogist 86 (2001) 1170-1187
Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
A time-of-flight neutron powder diffraction and EXAFS study
Sample: Mg50Ni50 at T = 200 C
_database_code_amcsd 0002681
4.74800 10.2114 5.96047 90 90 90 Pbnm
atom     x     y     z  occ Biso
Ni1      0     0     0 .729 0.50
Mg1      0     0     0 .271 0.50
Ni2  .9922 .2760   .25 .271 0.49
Mg2  .9922 .2760   .25 .729 0.49
Si   .4250 .0936   .25      0.31
O1   .7686 .0931   .25      0.54
O2   .2210 .4458   .25      0.52
O3   .2753 .1621 .0319      0.52
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Forsterite
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Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
Download am/vol86/AM86_1170.pdf
American Mineralogist 86 (2001) 1170-1187
Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
A time-of-flight neutron powder diffraction and EXAFS study
Sample: Mg50Ni50 at T = 300 C
_database_code_amcsd 0002682
4.75177 10.2259 5.96665 90 90 90 Pbnm
atom     x     y     z  occ Biso
Ni1      0     0     0 .731 0.60
Mg1      0     0     0 .269 0.60
Ni2  .9918 .2761   .25 .269 0.60
Mg2  .9918 .2761   .25 .731 0.60
Si   .4253 .0934   .25      0.37
O1   .7683 .0933   .25      0.64
O2   .2210 .4460   .25      0.61
O3   .2755 .1622 .0322      0.62
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Forsterite
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Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
Download am/vol86/AM86_1170.pdf
American Mineralogist 86 (2001) 1170-1187
Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
A time-of-flight neutron powder diffraction and EXAFS study
Sample: Mg50Ni50 at T = 400 C
_database_code_amcsd 0002683
4.75574 10.2344 5.97318 90 90 90 Pbnm
atom     x     y     z  occ Biso
Ni1      0     0     0 .732 0.71
Mg1      0     0     0 .268 0.71
Ni2  .9918 .2763   .25 .268 0.70
Mg2  .9918 .2763   .25 .732 0.70
Si   .4254 .0935   .25      0.44
O1   .7680 .0933   .25      0.74
O2   .2214 .4464   .25      0.71
O3   .2756 .1621 .0323      0.74
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Forsterite
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Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
Download am/vol86/AM86_1170.pdf
American Mineralogist 86 (2001) 1170-1187
Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
A time-of-flight neutron powder diffraction and EXAFS study
Sample: Mg50Ni50 at T = 450 C
_database_code_amcsd 0002684
4.75871 10.2407 5.97656 90 90 90 Pbnm
atom     x     y     z  occ Biso
Ni1      0     0     0 .732 0.76
Mg1      0     0     0 .268 0.76
Ni2  .9916 .2765   .25 .268 0.75
Mg2  .9916 .2765   .25 .732 0.75
Si   .4252 .0934   .25      0.49
O1   .7679 .0932   .25      0.79
O2   .2213 .4463   .25      0.75
O3   .2757 .1619 .0323      0.78
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Forsterite
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Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
Download am/vol86/AM86_1170.pdf
American Mineralogist 86 (2001) 1170-1187
Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
A time-of-flight neutron powder diffraction and EXAFS study
Sample: Mg50Ni50 at T = 500 C
_database_code_amcsd 0002685
4.75984 10.2469 5.97999 90 90 90 Pbnm
atom     x     y     z  occ Biso
Ni1      0     0     0 .726 0.80
Mg1      0     0     0 .274 0.80
Ni2  .9912 .2765   .25 .274 0.84
Mg2  .9912 .2765   .25 .726 0.84
Si   .4252 .0932   .25      0.52
O1   .7676 .0932   .25      0.85
O2   .2213 .4465   .25      0.81
O3   .2758 .1619 .0324      0.82
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Forsterite
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Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
Download am/vol86/AM86_1170.pdf
American Mineralogist 86 (2001) 1170-1187
Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
A time-of-flight neutron powder diffraction and EXAFS study
Sample: Mg50Ni50 at T = 550 C
_database_code_amcsd 0002686
4.76202 10.2534 5.98349 90 90 90 Pbnm
atom     x     y     z  occ Biso
Ni1      0     0     0 .731 0.86
Mg1      0     0     0 .269 0.86
Ni2  .9912 .2766   .25 .269 0.89
Mg2  .9912 .2766   .25 .731 0.89
Si   .4251 .0931   .25      0.54
O1   .7674 .0934   .25      0.88
O2   .2212 .4467   .25      0.86
O3   .2758 .1619 .0327      0.89
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Forsterite
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Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
Download am/vol86/AM86_1170.pdf
American Mineralogist 86 (2001) 1170-1187
Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
A time-of-flight neutron powder diffraction and EXAFS study
Sample: Mg50Ni50 at T = 600 C
_database_code_amcsd 0002687
4.76419 10.2603 5.98710 90 90 90 Pbnm
atom     x     y     z  occ Biso
Ni1      0     0     0 .730 0.91
Mg1      0     0     0 .270 0.91
Ni2  .9911 .2767   .25 .270 0.95
Mg2  .9911 .2767   .25 .730 0.95
Si   .4254 .0929   .25      0.60
O1   .7672 .0935   .25      0.94
O2   .2215 .4467   .25      0.92
O3   .2759 .1619 .0326      0.94
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Forsterite
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Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
Download am/vol86/AM86_1170.pdf
American Mineralogist 86 (2001) 1170-1187
Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
A time-of-flight neutron powder diffraction and EXAFS study
Sample: Mg50Ni50 at T = 650 C
_database_code_amcsd 0002688
4.76626 10.2672 5.99066 90 90 90 Pbnm
atom     x     y     z  occ Biso
Ni1      0     0     0 .740 0.97
Mg1      0     0     0 .260 0.97
Ni2  .9907 .2768   .25 .260 1.01
Mg2  .9907 .2768   .25 .740 1.01
Si   .4251 .0930   .25      0.63
O1   .7672 .0935   .25      1.00
O2   .2215 .4469   .25      0.98
O3   .2759 .1619 .0327      1.00
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Forsterite
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Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
Download am/vol86/AM86_1170.pdf
American Mineralogist 86 (2001) 1170-1187
Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
A time-of-flight neutron powder diffraction and EXAFS study
Sample: Mg50Ni50 at T = 700 C
_database_code_amcsd 0002689
4.76809 10.2754 5.99411 90 90 90 Pbnm
atom     x     y     z  occ Biso
Ni1      0     0     0 .746 1.02
Mg1      0     0     0 .254 1.02
Ni2  .9903 .2768   .25 .254 1.09
Mg2  .9903 .2768   .25 .746 1.09
Si   .4252 .0929   .25      0.69
O1   .7670 .0936   .25      1.08
O2   .2216 .4469   .25      1.02
O3   .2759 .1618 .0328      1.05
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Forsterite
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Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
Download am/vol86/AM86_1170.pdf
American Mineralogist 86 (2001) 1170-1187
Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
A time-of-flight neutron powder diffraction and EXAFS study
Sample: Mg50Ni50 at T = 750 C
_database_code_amcsd 0002690
4.77029 10.2835 5.99796 90 90 90 Pbnm
atom     x     y     z  occ Biso
Ni1      0     0     0 .761 1.09
Mg1      0     0     0 .239 1.09
Ni2  .9899 .2771   .25 .239 1.16
Mg2  .9899 .2771   .25 .761 1.16
Si   .4251 .0927   .25      0.73
O1   .7667 .0936   .25      1.14
O2   .2218 .4472   .25      1.11
O3   .2759 .1616 .0329      1.11
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Forsterite
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Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
Download am/vol86/AM86_1170.pdf
American Mineralogist 86 (2001) 1170-1187
Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
A time-of-flight neutron powder diffraction and EXAFS study
Sample: Mg50Ni50 at T = 800 C
_database_code_amcsd 0002691
4.77267 10.2901 6.00184 90 90 90 Pbnm
atom     x     y     z  occ Biso
Ni1      0     0     0 .750 1.14
Mg1      0     0     0 .250 1.14
Ni2  .9900 .2771   .25 .250 1.22
Mg2  .9900 .2771   .25 .750 1.22
Si   .4250 .0927   .25      0.76
O1   .7664 .0935   .25      1.21
O2   .2214 .4473   .25      1.16
O3   .2761 .1617 .0330      1.17
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Forsterite
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Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
Download am/vol86/AM86_1170.pdf
American Mineralogist 86 (2001) 1170-1187
Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
A time-of-flight neutron powder diffraction and EXAFS study
Sample: Mg50Ni50 at T = 850 C
_database_code_amcsd 0002692
4.77504 10.2960 6.00539 90 90 90 Pbnm
atom     x     y     z  occ Biso
Ni1      0     0     0 .749 1.21
Mg1      0     0     0 .251 1.21
Ni2  .9895 .2774   .25 .251 1.26
Mg2  .9895 .2774   .25 .749 1.26
Si   .4252 .0926   .25      0.81
O1   .7662 .0936   .25      1.26
O2   .2215 .4475   .25      1.22
O3   .2762 .1617 .0333      1.21
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Forsterite
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Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
Download am/vol86/AM86_1170.pdf
American Mineralogist 86 (2001) 1170-1187
Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
A time-of-flight neutron powder diffraction and EXAFS study
Sample: Mg50Ni50 at T = 900 C
_database_code_amcsd 0002693
4.77773 10.3026 6.00950 90 90 90 Pbnm
atom     x     y     z  occ Biso
Ni1      0     0     0 .732 1.26
Mg1      0     0     0 .268 1.26
Ni2  .9894 .2773   .25 .268 1.38
Mg2  .9894 .2773   .25 .732 1.38
Si   .4251 .0925   .25      0.86
O1   .7662 .0935   .25      1.36
O2   .2217 .4477   .25      1.26
O3   .2763 .1616 .0334      1.27
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Forsterite
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Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
Download am/vol86/AM86_1170.pdf
American Mineralogist 86 (2001) 1170-1187
Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
A time-of-flight neutron powder diffraction and EXAFS study
Sample: Mg50Ni50 at T = 950 C
_database_code_amcsd 0002694
4.78014 10.3088 6.01327 90 90 90 Pbnm
atom     x     y     z  occ Biso
Ni1      0     0     0 .726 1.35
Mg1      0     0     0 .274 1.35
Ni2  .9892 .2773   .25 .274 1.40
Mg2  .9892 .2773   .25 .726 1.40
Si   .4253 .0923   .25      0.90
O1   .7662 .0936   .25      1.40
O2   .2216 .4478   .25      1.36
O3   .2762 .1615 .0332      1.34
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Forsterite
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Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
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American Mineralogist 86 (2001) 1170-1187
Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
A time-of-flight neutron powder diffraction and EXAFS study
Sample: Mg50Ni50 at T = 1000 C
_database_code_amcsd 0002695
4.78269 10.3155 6.01747 90 90 90 Pbnm
atom     x     y     z  occ Biso
Ni1      0     0     0 .720 1.39
Mg1      0     0     0 .280 1.39
Ni2  .9898 .2776   .25 .280 1.49
Mg2  .9898 .2776   .25 .720 1.49
Si   .4250 .0924   .25      0.95
O1   .7661 .0937   .25      1.45
O2   .2218 .4481   .25      1.39
O3   .2765 .1617 .0335      1.38
Download AMC data (View Text File)
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Forsterite
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Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
Download am/vol86/AM86_1170.pdf
American Mineralogist 86 (2001) 1170-1187
Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
A time-of-flight neutron powder diffraction and EXAFS study
Sample: Mg50Ni50 at T = 1050 C
_database_code_amcsd 0002696
4.78522 10.3224 6.02158 90 90 90 Pbnm
atom     x     y     z  occ Biso
Ni1      0     0     0 .711 1.47
Mg1      0     0     0 .289 1.47
Ni2  .9897 .2777   .25 .289 1.57
Mg2  .9897 .2777   .25 .711 1.57
Si   .4253 .0926   .25      0.99
O1   .7658 .0936   .25      1.51
O2   .2218 .4481   .25      1.45
O3   .2765 .1616 .0336      1.47
Download AMC data (View Text File)
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Forsterite
Download hom/forsterite.pdf
Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
Download am/vol86/AM86_1170.pdf
American Mineralogist 86 (2001) 1170-1187
Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
A time-of-flight neutron powder diffraction and EXAFS study
Sample: Mg50Ni50 at T = 1100 C
_database_code_amcsd 0002697
4.78795 10.3296 6.02598 90 90 90 Pbnm
atom     x     y     z  occ Biso
Ni1      0     0     0 .702 1.53
Mg1      0     0     0 .298 1.53
Ni2  .9890 .2776   .25 .298 1.69
Mg2  .9890 .2776   .25 .702 1.69
Si   .4254 .0922   .25      1.03
O1   .7660 .0939   .25      1.61
O2   .2217 .4484   .25      1.55
O3   .2765 .1616 .0337      1.52
Download AMC data (View Text File)
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Forsterite
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Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
Download am/vol86/AM86_1170.pdf
American Mineralogist 86 (2001) 1170-1187
Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
A time-of-flight neutron powder diffraction and EXAFS study
Sample: Mg50Ni50 at T = 850 C, on cooling
_database_code_amcsd 0002698
4.77555 10.2926 6.00582 90 90 90 Pbnm
atom     x     y     z  occ Biso
Ni1      0     0     0 .738 1.21
Mg1      0     0     0 .262 1.21
Ni2  .9903 .2772   .25 .262 1.29
Mg2  .9903 .2772   .25 .738 1.29
Si   .4250 .0922   .25      0.79
O1   .7664 .0936   .25      1.26
O2   .2219 .4476   .25      1.22
O3   .2765 .1618 .0331      1.24
Download AMC data (View Text File)
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Forsterite
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Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
Download am/vol86/AM86_1170.pdf
American Mineralogist 86 (2001) 1170-1187
Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
A time-of-flight neutron powder diffraction and EXAFS study
Sample: Mg50Ni50 at T = 750 C, on cooling
_database_code_amcsd 0002699
4.77091 10.2828 5.99795 90 90 90 Pbnm
atom     x     y     z  occ Biso
Ni1      0     0     0 .737 1.06
Mg1      0     0     0 .263 1.06
Ni2  .9903 .2771   .25 .263 1.19
Mg2  .9903 .2771   .25 .737 1.19
Si   .4247 .0928   .25      0.74
O1   .7668 .0934   .25      1.14
O2   .2216 .4471   .25      1.08
O3   .2762 .1618 .0330      1.10
Download AMC data (View Text File)
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Forsterite
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Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
Download am/vol86/AM86_1170.pdf
American Mineralogist 86 (2001) 1170-1187
Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
A time-of-flight neutron powder diffraction and EXAFS study
Sample: Mg50Ni50 at T = 650 C, on cooling
_database_code_amcsd 0002700
4.76655 10.2694 5.99104 90 90 90 Pbnm
atom     x     y     z  occ Biso
Ni1      0     0     0 .746 0.96
Mg1      0     0     0 .254 0.96
Ni2  .9905 .2769   .25 .254 1.02
Mg2  .9905 .2769   .25 .746 1.02
Si   .4254 .0931   .25      0.61
O1   .7671 .0934   .25      0.98
O2   .2213 .4468   .25      1.00
O3   .2757 .1619 .0329      1.01
Download AMC data (View Text File)
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Forsterite
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Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
Download am/vol86/AM86_1170.pdf
American Mineralogist 86 (2001) 1170-1187
Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
A time-of-flight neutron powder diffraction and EXAFS study
Sample: Mg50Ni50 at T = 550 C, on cooling
_database_code_amcsd 0002701
4.76218 10.2564 5.98397 90 90 90 Pbnm
atom     x     y     z  occ Biso
Ni1      0     0     0 .743 0.83
Mg1      0     0     0 .257 0.83
Ni2  .9910 .2769   .25 .257 0.90
Mg2  .9910 .2769   .25 .743 0.90
Si   .4251 .0931   .25      0.55
O1   .7674 .0933   .25      0.87
O2   .2215 .4465   .25      0.88
O3   .2758 .1619 .0328      0.90
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Forsterite
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Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
Download am/vol86/AM86_1170.pdf
American Mineralogist 86 (2001) 1170-1187
Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
A time-of-flight neutron powder diffraction and EXAFS study
Sample: Mg50Ni50 at T = 350 C, on cooling
_database_code_amcsd 0002702
4.75397 10.2317 5.97049 90 90 90 Pbnm
atom     x     y     z  occ Biso
Ni1      0     0     0 .750 0.64
Mg1      0     0     0 .250 0.64
Ni2  .9914 .2763   .25 .250 0.66
Mg2  .9914 .2763   .25 .750 0.66
Si   .4250 .0936   .25      0.42
O1   .7680 .0934   .25      0.69
O2   .2212 .4461   .25      0.66
O3   .2754 .1620 .0323      0.67
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Forsterite
Download hom/forsterite.pdf
Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
Download am/vol86/AM86_1170.pdf
American Mineralogist 86 (2001) 1170-1187
Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
A time-of-flight neutron powder diffraction and EXAFS study
Sample: Mg50Ni50 at T = 25 C, on cooling
_database_code_amcsd 0002703
4.73717 10.1870 5.94660 90 90 90 Pbnm
atom     x     y     z  occ Biso
Ni1      0     0     0 .748 0.31
Mg1      0     0     0 .252 0.31
Ni2  .9910 .2754   .25 .252 0.30
Mg2  .9910 .2754   .25 .748 0.30
Si   .4256 .0932   .25      0.22
O1   .7679 .0932   .25      0.33
O2   .2203 .4457   .25      0.36
O3   .2756 .1625 .0318      0.36
Download AMC data (View Text File)
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Forsterite
Download hom/forsterite.pdf
Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
Download am/vol86/AM86_1170.pdf
American Mineralogist 86 (2001) 1170-1187
Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
A time-of-flight neutron powder diffraction and EXAFS study
Sample: Mg80Ni20 at T = 25 C
_database_code_amcsd 0002704
4.74955 10.2019 5.96718 90 90 90 Pbnm
atom     x     y     z  occ Biso
Ni1      0     0     0 .347 0.23
Mg1      0     0     0 .653 0.23
Ni2  .9914 .2769   .25 .053 0.29
Mg2  .9914 .2769   .25 .947 0.29
Si   .4258 .0939   .25      0.14
O1   .7672 .0926   .25      0.29
O2   .2223 .4466   .25      0.31
O3   .2757 .1627 .0324      0.30
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Forsterite
Download hom/forsterite.pdf
Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
Download am/vol86/AM86_1170.pdf
American Mineralogist 86 (2001) 1170-1187
Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
A time-of-flight neutron powder diffraction and EXAFS study
Sample: Mg80Ni20 at T = 200 C
_database_code_amcsd 0002705
4.75769 10.2279 5.98117 90 90 90 Pbnm
atom     x     y     z  occ Biso
Ni1      0     0     0 .349 0.48
Mg1      0     0     0 .651 0.48
Ni2  .9911 .2773   .25 .051 0.54
Mg2  .9911 .2773   .25 .949 0.54
Si   .4257 .0938   .25      0.31
O1   .7667 .0926   .25      0.51
O2   .2223 .4471   .25      0.53
O3   .2762 .1625 .0328      0.54
Download AMC data (View Text File)
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Forsterite
Download hom/forsterite.pdf
Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
Download am/vol86/AM86_1170.pdf
American Mineralogist 86 (2001) 1170-1187
Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
A time-of-flight neutron powder diffraction and EXAFS study
Sample: Mg80Ni20 at T = 300 C
_database_code_amcsd 0002706
4.76127 10.2391 5.98720 90 90 90 Pbnm
atom     x     y     z  occ Biso
Ni1      0     0     0 .351 0.58
Mg1      0     0     0 .649 0.58
Ni2  .9909 .2775   .25 .049 0.64
Mg2  .9909 .2775   .25 .951 0.64
Si   .4254 .0937   .25      0.36
O1   .7663 .0927   .25      0.56
O2   .2223 .4474   .25      0.62
O3   .2764 .1625 .0331      0.64
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Forsterite
Download hom/forsterite.pdf
Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
Download am/vol86/AM86_1170.pdf
American Mineralogist 86 (2001) 1170-1187
Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
A time-of-flight neutron powder diffraction and EXAFS study
Sample: Mg80Ni20 at T = 400 C
_database_code_amcsd 0002707
4.76517 10.2566 5.99363 90 90 90 Pbnm
atom     x     y     z  occ Biso
Ni1      0     0     0 .350 0.67
Mg1      0     0     0 .650 0.67
Ni2  .9903 .2776   .25 .050 0.75
Mg2  .9903 .2776   .25 .950 0.75
Si   .4256 .0935   .25      0.43
O1   .7660 .0927   .25      0.70
O2   .2223 .4476   .25      0.71
O3   .2765 .1624 .0332      0.74
Download AMC data (View Text File)
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Forsterite
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Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
Download am/vol86/AM86_1170.pdf
American Mineralogist 86 (2001) 1170-1187
Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
A time-of-flight neutron powder diffraction and EXAFS study
Sample: Mg80Ni20 at T = 450 C
_database_code_amcsd 0002708
4.76710 10.2573 5.99691 90 90 90 Pbnm
atom     x     y     z  occ Biso
Ni1      0     0     0 .349 0.73
Mg1      0     0     0 .651 0.73
Ni2  .9904 .2778   .25 .051 0.81
Mg2  .9904 .2778   .25 .949 0.81
Si   .4256 .0932   .25      0.48
O1   .7659 .0927   .25      0.75
O2   .2223 .4478   .25      0.76
O3   .2766 .1624 .0333      0.78
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Forsterite
Download hom/forsterite.pdf
Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
Download am/vol86/AM86_1170.pdf
American Mineralogist 86 (2001) 1170-1187
Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
A time-of-flight neutron powder diffraction and EXAFS study
Sample: Mg80Ni20 at T = 500 C
_database_code_amcsd 0002709
4.76919 10.2639 6.00034 90 90 90 Pbnm
atom     x     y     z  occ Biso
Ni1      0     0     0 .351 0.79
Mg1      0     0     0 .649 0.79
Ni2  .9902 .2778   .25 .049 0.85
Mg2  .9902 .2778   .25 .951 0.85
Si   .4257 .0932   .25      0.50
O1   .7658 .0927   .25      0.80
O2   .2226 .4479   .25      0.82
O3   .2769 .1625 .0334      0.85
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Forsterite
Download hom/forsterite.pdf
Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
Download am/vol86/AM86_1170.pdf
American Mineralogist 86 (2001) 1170-1187
Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
A time-of-flight neutron powder diffraction and EXAFS study
Sample: Mg80Ni20 at T = 550 C
_database_code_amcsd 0002710
4.77133 10.2707 6.00390 90 90 90 Pbnm
atom     x     y     z  occ Biso
Ni1      0     0     0 .352 0.84
Mg1      0     0     0 .648 0.84
Ni2  .9901 .2780   .25 .048 0.92
Mg2  .9901 .2780   .25 .952 0.92
Si   .4255 .0931   .25      0.55
O1   .7657 .0926   .25      0.85
O2   .2224 .4481   .25      0.85
O3   .2768 .1624 .0336      0.90
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Forsterite
Download hom/forsterite.pdf
Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
Download am/vol86/AM86_1170.pdf
American Mineralogist 86 (2001) 1170-1187
Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
A time-of-flight neutron powder diffraction and EXAFS study
Sample: Mg80Ni20 at T = 600 C
_database_code_amcsd 0002711
4.77346 10.2781 6.00745 90 90 90 Pbnm
atom     x     y     z  occ Biso
Ni1      0     0     0 .357 0.90
Mg1      0     0     0 .643 0.90
Ni2  .9900 .2782   .25 .043 0.99
Mg2  .9900 .2782   .25 .957 0.99
Si   .4256 .0931   .25      0.59
O1   .7653 .0923   .25      0.92
O2   .2226 .4482   .25      0.92
O3   .2769 .1623 .0336      0.95
Download AMC data (View Text File)
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Forsterite
Download hom/forsterite.pdf
Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
Download am/vol86/AM86_1170.pdf
American Mineralogist 86 (2001) 1170-1187
Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
A time-of-flight neutron powder diffraction and EXAFS study
Sample: Mg80Ni20 at T = 650 C
_database_code_amcsd 0002712
4.77567 10.2856 6.01107 90 90 90 Pbnm
atom     x     y     z  occ Biso
Ni1      0     0     0 .358 0.96
Mg1      0     0     0 .642 0.96
Ni2  .9895 .2782   .25 .042 1.06
Mg2  .9895 .2782   .25 .958 1.06
Si   .4254 .0928   .25      0.63
O1   .7652 .0928   .25      0.99
O2   .2227 .4483   .25      0.98
O3   .2770 .1624 .0337      1.01
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Forsterite
Download hom/forsterite.pdf
Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
Download am/vol86/AM86_1170.pdf
American Mineralogist 86 (2001) 1170-1187
Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
A time-of-flight neutron powder diffraction and EXAFS study
Sample: Mg80Ni20 at T = 700 C
_database_code_amcsd 0002713
4.77799 10.2928 6.01488 90 90 90 Pbnm
atom     x     y     z  occ Biso
Ni1      0     0     0 .358 1.00
Mg1      0     0     0 .642 1.00
Ni2  .9894 .2784   .25 .042 1.12
Mg2  .9894 .2784   .25 .958 1.12
Si   .4252 .0929   .25      0.66
O1   .7651 .0926   .25      1.04
O2   .2226 .4485   .25      1.04
O3   .2770 .1623 .0338      1.05
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Forsterite
Download hom/forsterite.pdf
Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
Download am/vol86/AM86_1170.pdf
American Mineralogist 86 (2001) 1170-1187
Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
A time-of-flight neutron powder diffraction and EXAFS study
Sample: Mg80Ni20 at T = 750 C
_database_code_amcsd 0002714
4.78036 10.2998 6.01881 90 90 90 Pbnm
atom     x     y     z  occ Biso
Ni1      0     0     0 .358 1.07
Mg1      0     0     0 .642 1.07
Ni2  .9893 .2785   .25 .042 1.18
Mg2  .9893 .2785   .25 .958 1.18
Si   .4253 .0928   .25      0.71
O1   .7650 .0930   .25      1.10
O2   .2227 .4486   .25      1.10
O3   .2771 .1623 .0340      1.12
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Forsterite
Download hom/forsterite.pdf
Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
Download am/vol86/AM86_1170.pdf
American Mineralogist 86 (2001) 1170-1187
Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
A time-of-flight neutron powder diffraction and EXAFS study
Sample: Mg80Ni20 at T = 800 C
_database_code_amcsd 0002715
4.78256 10.3064 6.02259 90 90 90 Pbnm
atom     x     y     z  occ Biso
Ni1      0     0     0 .351 1.13
Mg1      0     0     0 .649 1.13
Ni2  .9892 .2786   .25 .049 1.25
Mg2  .9892 .2786   .25 .951 1.25
Si   .4255 .0927   .25      0.76
O1   .7647 .0927   .25      1.16
O2   .2227 .4488   .25      1.15
O3   .2772 .1623 .0341      1.18
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Forsterite
Download hom/forsterite.pdf
Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
Download am/vol86/AM86_1170.pdf
American Mineralogist 86 (2001) 1170-1187
Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
A time-of-flight neutron powder diffraction and EXAFS study
Sample: Mg80Ni20 at T = 850 C
_database_code_amcsd 0002716
4.78467 10.3127 6.02620 90 90 90 Pbnm
atom     x     y     z  occ Biso
Ni1      0     0     0 .345 1.20
Mg1      0     0     0 .655 1.20
Ni2  .9892 .2786   .25 .055 1.36
Mg2  .9892 .2786   .25 .945 1.36
Si   .4256 .0926   .25      0.78
O1   .7649 .0928   .25      1.22
O2   .2226 .4492   .25      1.12
O3   .2772 .1623 .0341      1.23
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Forsterite
Download hom/forsterite.pdf
Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
Download am/vol86/AM86_1170.pdf
American Mineralogist 86 (2001) 1170-1187
Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
A time-of-flight neutron powder diffraction and EXAFS study
Sample: Mg80Ni20 at T = 900 C
_database_code_amcsd 0002717
4.78701 10.3194 6.03014 90 90 90 Pbnm
atom     x     y     z  occ Biso
Ni1      0     0     0 .336 1.27
Mg1      0     0     0 .664 1.27
Ni2  .9891 .2789   .25 .067 1.44
Mg2  .9891 .2789   .25 .936 1.44
Si   .4257 .0925   .25      0.83
O1   .7644 .0928   .25      1.30
O2   .2228 .4494   .25      1.30
O3   .2773 .1621 .0341      1.31
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Forsterite
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Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
Download am/vol86/AM86_1170.pdf
American Mineralogist 86 (2001) 1170-1187
Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
A time-of-flight neutron powder diffraction and EXAFS study
Sample: Mg80Ni20 at T = 950 C
_database_code_amcsd 0002718
4.78910 10.3259 6.03362 90 90 90 Pbnm
atom     x     y     z  occ Biso
Ni1      0     0     0 .337 1.34
Mg1      0     0     0 .663 1.34
Ni2  .9896 .2789   .25 .063 1.51
Mg2  .9896 .2789   .25 .937 1.51
Si   .4257 .0925   .25      0.89
O1   .7641 .0928   .25      1.37
O2   .2228 .4495   .25      1.34
O3   .2775 .1624 .0344      1.38
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Forsterite
Download hom/forsterite.pdf
Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
Download am/vol86/AM86_1170.pdf
American Mineralogist 86 (2001) 1170-1187
Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
A time-of-flight neutron powder diffraction and EXAFS study
Sample: Mg80Ni20 at T = 1000 C
_database_code_amcsd 0002719
4.79136 10.3323 6.03741 90 90 90 Pbnm
atom     x     y     z  occ Biso
Ni1      0     0     0 .335 1.41
Mg1      0     0     0 .665 1.41
Ni2  .9889 .2790   .25 .065 1.57
Mg2  .9889 .2790   .25 .935 1.57
Si   .4253 .0927   .25      0.93
O1   .7641 .0931   .25      1.44
O2   .2229 .4495   .25      1.44
O3   .2776 .1624 .0345      1.43
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Forsterite
Download hom/forsterite.pdf
Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
Download am/vol86/AM86_1170.pdf
American Mineralogist 86 (2001) 1170-1187
Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
A time-of-flight neutron powder diffraction and EXAFS study
Sample: Mg80Ni20 at T = 1100 C
_database_code_amcsd 0002720
4.79608 10.3467 6.04574 90 90 90 Pbnm
atom     x     y     z  occ Biso
Ni1      0     0     0 .324 1.58
Mg1      0     0     0 .676 1.58
Ni2  .9891 .2791   .25 .076 1.72
Mg2  .9891 .2791   .25 .924 1.72
Si   .4257 .0926   .25      1.01
O1   .7639 .0929   .25      1.58
O2   .2231 .4450   .25      1.54
O3   .2778 .1622 .0347      1.59
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Forsterite
Download hom/forsterite.pdf
Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
Download am/vol86/AM86_1170.pdf
American Mineralogist 86 (2001) 1170-1187
Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
A time-of-flight neutron powder diffraction and EXAFS study
Sample: Mg80Ni20 at T = 300 C, on cooling
_database_code_amcsd 0002721
4.75898 10.2340 5.98423 90 90 90 Pbnm
atom     x     y     z  occ Biso
Ni1      0     0     0 .349 0.58
Mg1      0     0     0 .651 0.58
Ni2  .9910 .2775   .25 .051 0.63
Mg2  .9910 .2775   .25 .949 0.63
Si   .4259 .0937   .25      0.37
O1   .7664 .0926   .25      0.60
O2   .2222 .4474   .25      0.60
O3   .2763 .1625 .0332      0.64
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Forsterite
Download hom/forsterite.pdf
Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
Download am/vol86/AM86_1170.pdf
American Mineralogist 86 (2001) 1170-1187
Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
A time-of-flight neutron powder diffraction and EXAFS study
Sample: Mg80Ni20 at T = 25 C, on cooling
_database_code_amcsd 0002722
4.74737 10.2069 5.96790 90 90 90 Pbnm
atom     x     y     z  occ Biso
Ni1      0     0     0 .349 0.32
Mg1      0     0     0 .651 0.32
Ni2  .9908 .2767   .25 .051 0.34
Mg2  .9908 .2767   .25 .949 0.34
Si   .4256 .0937   .25      0.21
O1   .7666 .0926   .25      0.35
O2   .2219 .4467   .25      0.38
O3   .2765 .1627 .0324      0.37
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Forsterite
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Hushur A, Manghnani M H, Smyth J R, Nestola F, Frost D J
Download am/vol94/AM94_751.pdf
American Mineralogist 94 (2009) 751-760
Crystal chemistry of hydrous forsterite and its vibrational properties up to 41 GPa
Locality: synthetic
Sample: Anhydrous Fo100
_database_code_amcsd 0004936
4.7552 10.1985 5.9822 90 90 90 Pbnm
atom      x      y      z   occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg1      .0     .0     .0  .997 .00651  .0060  .0080  .0056     .0     .0     .0
Mg2  .99148 .27747    .25  .999 .00629  .0067  .0056  .0066     .0     .0 .00015
Si1  .42643 .09402    .25  .995 .00456  .0040  .0048  .0049     .0     .0 .00004
O1    .7660 .09150    .25        .0057  .0039  .0069  .0063     .0     .0  .0001
O2    .2217 .44710    .25        .0056  .0056  .0047  .0064     .0     .0 -.0000
O3    .2775 .16305 .03313       .00606  .0057  .0069  .0056  .0014 -.0003  .0002
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Forsterite
Download hom/forsterite.pdf
Hushur A, Manghnani M H, Smyth J R, Nestola F, Frost D J
Download am/vol94/AM94_751.pdf
American Mineralogist 94 (2009) 751-760
Crystal chemistry of hydrous forsterite and its vibrational properties up to 41 GPa
Locality: synthetic
Sample: SZ0408A
_database_code_amcsd 0004937
4.7545 10.2068 5.9863 90 90 90 Pbnm
atom      x      y      z   occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg1      .0     .0     .0  .984 .00728  .0064  .0090 .00638     .0     .0     .0
Mg2  .99130 .27702    .25 1.002 .00725  .0073 .00638  .0081     .0     .0 .00028
Si   .42626 .09377    .25  .994 .00515 .00425 .00561 .00558     .0     .0 .00004
O1    .7661 .09134    .25       .00593  .0042  .0074  .0062     .0     .0 -.0001
O2    .2217 .44673    .25       .00640  .0063  .0057  .0072     .0     .0 -.0004
O3   .27705 .16301 .03280       .00662  .0061  .0073  .0064  .0011  .0001 -.0000
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Forsterite
Download hom/forsterite.pdf
Hushur A, Manghnani M H, Smyth J R, Nestola F, Frost D J
Download am/vol94/AM94_751.pdf
American Mineralogist 94 (2009) 751-760
Crystal chemistry of hydrous forsterite and its vibrational properties up to 41 GPa
Locality: synthetic
Sample: SZ0408B
_database_code_amcsd 0004938
4.7547 10.20416 5.98494 90 90 90 Pbnm
atom      x      y      z   occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg1      .0     .0     .0  .990  .0075  .0065  .0089  .0070     .0     .0     .0
Mg2   .9911 .27714    .25 1.001  .0078  .0074  .0070  .0090     .0     .0  .0000
Si    .4263 .09380    .25  .993  .0060  .0047  .0061  .0073     .0     .0  .0002
O1    .7659  .0914    .25        .0065  .0047  .0072  .0076     .0     .0  .0006
O2    .2216  .4469    .25        .0070  .0067  .0063  .0079     .0     .0 -.0005
O3    .2774 .16284  .0330        .0074  .0066  .0073  .0082  .0012 -.0003  .0005
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Forsterite
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Finkelstein G J, Dera P K, Jahn S, Oganov A R, Holl C M, Meng Y, Duffy T S
 
American Mineralogist 99 (2014) 35-43
Phase transitions and equation of state of forsterite to 90 GPa from single-crystal
X-ray diffraction and molecular modeling
Note: P = 45.3 GPa
Locality: Synthetic
_database_code_amcsd 0020327
4.5232 9.274 5.5467 90 90 90 Pbnm
atom     x     y     z  Uiso
Mg1      0     0     0 .0070
Mg2  .9845 .2742   .25 .0075
Si   .4250 .0964   .25 .0070
O1   .7675 .0899   .25 .0075
O2   .2271 .4407   .25 .0061
O3   .2638 .1692 .0233 .0081
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Forsterite
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Liang J, Hawthorne F C
Download cm/vol32/CM32_541.pdf
The Canadian Mineralogist 32 (1994) 541-552
Characterization of fine-grained mixtures of rock-forming minerals by Rietveld
structure refinement: olivine + pyroxene
Sample: single crystal SC
_database_code_amcsd 0005395
4.7642 10.2258 6.0045 90 90 90 Pbnm
atom      x      y      z  occ Biso
Si   .42657 .09441    .25       .39
MgM1      0      0      0 .904  .40
FeM1      0      0      0 .096  .40
MgM1 .98978 .27774    .25 .912  .41
FeM1 .98978 .27774    .25 .088  .41
O1    .7666  .0917    .25       .50
O2    .2199 .44786    .25       .48
O3   .27883 .16332 .03370       .52
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Forsterite
Download hom/forsterite.pdf
Liang J, Hawthorne F C
Download cm/vol32/CM32_541.pdf
The Canadian Mineralogist 32 (1994) 541-552
Characterization of fine-grained mixtures of rock-forming minerals by Rietveld
structure refinement: olivine + pyroxene
Sample: SPh single phase Rietveld
_database_code_amcsd 0005396
4.7649 10.2376 5.9986 90 90 90 Pbnm
atom     x     y     z  occ Biso
Si   .4288 .0949   .25       .39
MgM1     0     0     0 .924  .40
FeM1     0     0     0 .076  .40
MgM2 .9924 .2769   .25 .898  .41
FeM2 .9924 .2769   .25 .102  .41
O1   .7655 .0896   .25       .50
O2   .2197 .4477   .25       .48
O3   .2784 .1639 .0318       .52
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Forsterite
Download hom/forsterite.pdf
Liang J, Hawthorne F C
Download cm/vol32/CM32_541.pdf
The Canadian Mineralogist 32 (1994) 541-552
Characterization of fine-grained mixtures of rock-forming minerals by Rietveld
structure refinement: olivine + pyroxene
Sample: P1 Rietveld, 9.9% olivine
_database_code_amcsd 0005397
4.7673 10.249 5.9996 90 90 90 Pbnm
atom    x    y    z  occ Biso
Si   .428 .107  .25       .39
MgM1    0    0    0  .82  .40
FeM1    0    0    0  .18  .40
MgM2 .998 .273  .25 .902  .41
FeM2 .998 .273  .25 .098  .41
O1   .782 .081  .25       .50
O2   .195 .439  .25       .48
O3   .202 .163 .017       .52
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Forsterite
Download hom/forsterite.pdf
Liang J, Hawthorne F C
Download cm/vol32/CM32_541.pdf
The Canadian Mineralogist 32 (1994) 541-552
Characterization of fine-grained mixtures of rock-forming minerals by Rietveld
structure refinement: olivine + pyroxene
Sample: P2 Rietveld, 19.9% olivine
_database_code_amcsd 0005398
4.7659 10.2414 5.9983 90 90 90 Pbnm
atom    x    y    z  occ Biso
Si   .420 .096  .25       .39
MgM1    0    0    0 .854  .40
FeM1    0    0    0 .146  .40
MgM2 .990 .277  .25 .900  .41
FeM2 .990 .277  .25 .100  .41
O1   .766 .093  .25       .50
O2   .223 .443  .25       .48
O3   .264 .167 .023       .52
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Forsterite
Download hom/forsterite.pdf
Liang J, Hawthorne F C
Download cm/vol32/CM32_541.pdf
The Canadian Mineralogist 32 (1994) 541-552
Characterization of fine-grained mixtures of rock-forming minerals by Rietveld
structure refinement: olivine + pyroxene
Sample: P3 Rietveld, 30.6% olivine
_database_code_amcsd 0005399
4.7654 10.2396 5.9984 90 90 90 Pbnm
atom    x    y    z  occ Biso
Si   .427 .095  .25       .39
MgM1    0    0    0 .872  .40
FeM1    0    0    0 .128  .40
MgM2 .990 .278  .25 .900  .41
FeM2 .990 .278  .25 .100  .41
O1   .769 .095  .25       .50
O2   .207 .445  .25       .48
O3   .276 .164 .030       .52
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