American Mineralogist Crystal Structure Database

148 matching records for this search.

Olivine
 
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
Si   .4256 .0938   .25       .24
O1   .7667 .0924   .25       .41
O2   .2211 .4468   .25       .43
O3   .2766 .1629 .0328       .44
Ni1      0     0     0 .260  .37
Mg1      0     0     0 .740  .37
Ni2  .9909 .2769   .25 .040  .45
Mg2  .9909 .2769   .25 .960  .45
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Olivine
 
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
Si   .4253 .0936   .25      0.28
O1   .7664 .0924   .25      0.45
O2   .2218 .4467   .25      0.47
O3   .2765 .1626 .0324      0.49
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Olivine
 
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
Si   .4256 .0937   .25      0.26
O1   .7670 .0927   .25      0.42
O2   .2208 .4464   .25      0.45
O3   .2763 .1627 .0325      0.45
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Olivine
 
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
Si   .4255 .0936   .25      0.25
O1   .7675 .0928   .25      0.41
O2   .2206 .4463   .25      0.44
O3   .2760 .1627 .0324      0.43
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Olivine
 
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 room temperature
_database_code_amcsd 0002678
4.7396 10.187 5.9467 90 90 90 Pbnm
atom     x     y     z  occ Biso
Si   .4256 .0933   .25      0.29
O1   .7677 .0931   .25      0.44
O2   .2203 .4458   .25      0.47
O3   .2756 .1624 .0316      0.48
Ni1      0     0     0 .727 0.40
Mg1      0     0     0 .273 0.40
Ni2  .9914 .2754   .25 .273 0.44
Mg2  .9914 .2754   .25 .727 0.44
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Olivine
 
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: Mg20Ni80 at room temperature
_database_code_amcsd 0002679
4.7310 10.144 5.9267 90 90 90 Pbnm
atom     x     y     z  occ Biso
Si   .4264 .0935   .25      0.25
O1   .7701 .0936   .25      0.38
O2   .2180 .4452   .25      0.45
O3   .2747 .1627 .0305      0.40
Ni1      0     0     0 .932 0.40
Mg1      0     0     0 .068 0.40
Ni2  .9927 .2744   .25 .668 0.40
Mg2  .9927 .2744   .25 .332 0.40
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Olivine
 
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
Si   .4261 .0922   .25      0.05
O1   .7678 .0928   .25      0.26
O2   .2209 .4460   .25      0.28
O3   .2751 .1625 .0329      0.24
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Olivine
 
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
Si   .4250 .0936   .25      0.31
O1   .7686 .0931   .25      0.54
O2   .2210 .4458   .25      0.52
O3   .2753 .1621 .0319      0.52
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Olivine
 
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
Si   .4253 .0934   .25      0.37
O1   .7683 .0933   .25      0.64
O2   .2210 .4460   .25      0.61
O3   .2755 .1622 .0322      0.62
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Olivine
 
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
Si   .4254 .0935   .25      0.44
O1   .7680 .0933   .25      0.74
O2   .2214 .4464   .25      0.71
O3   .2756 .1621 .0323      0.74
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Olivine
 
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
Si   .4252 .0934   .25      0.49
O1   .7679 .0932   .25      0.79
O2   .2213 .4463   .25      0.75
O3   .2757 .1619 .0323      0.78
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Olivine
 
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
Si   .4252 .0932   .25      0.52
O1   .7676 .0932   .25      0.85
O2   .2213 .4465   .25      0.81
O3   .2758 .1619 .0324      0.82
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Olivine
 
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
Si   .4251 .0931   .25      0.54
O1   .7674 .0934   .25      0.88
O2   .2212 .4467   .25      0.86
O3   .2758 .1619 .0327      0.89
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Olivine
 
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
Si   .4254 .0929   .25      0.60
O1   .7672 .0935   .25      0.94
O2   .2215 .4467   .25      0.92
O3   .2759 .1619 .0326      0.94
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Olivine
 
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
Si   .4251 .0930   .25      0.63
O1   .7672 .0935   .25      1.00
O2   .2215 .4469   .25      0.98
O3   .2759 .1619 .0327      1.00
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Olivine
 
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
Si   .4252 .0929   .25      0.69
O1   .7670 .0936   .25      1.08
O2   .2216 .4469   .25      1.02
O3   .2759 .1618 .0328      1.05
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Olivine
 
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
Si   .4251 .0927   .25      0.73
O1   .7667 .0936   .25      1.14
O2   .2218 .4472   .25      1.11
O3   .2759 .1616 .0329      1.11
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Olivine
 
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
Si   .4250 .0927   .25      0.76
O1   .7664 .0935   .25      1.21
O2   .2214 .4473   .25      1.16
O3   .2761 .1617 .0330      1.17
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Olivine
 
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
Si   .4252 .0926   .25      0.81
O1   .7662 .0936   .25      1.26
O2   .2215 .4475   .25      1.22
O3   .2762 .1617 .0333      1.21
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Olivine
 
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
Si   .4251 .0925   .25      0.86
O1   .7662 .0935   .25      1.36
O2   .2217 .4477   .25      1.26
O3   .2763 .1616 .0334      1.27
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Olivine
 
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
Si   .4253 .0923   .25      0.90
O1   .7662 .0936   .25      1.40
O2   .2216 .4478   .25      1.36
O3   .2762 .1615 .0332      1.34
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Olivine
 
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 = 1000 C
_database_code_amcsd 0002695
4.78269 10.3155 6.01747 90 90 90 Pbnm
atom     x     y     z  occ Biso
Si   .4250 .0924   .25      0.95
O1   .7661 .0937   .25      1.45
O2   .2218 .4481   .25      1.39
O3   .2765 .1617 .0335      1.38
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Olivine
 
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
Si   .4253 .0926   .25      0.99
O1   .7658 .0936   .25      1.51
O2   .2218 .4481   .25      1.45
O3   .2765 .1616 .0336      1.47
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Olivine
 
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
Si   .4254 .0922   .25      1.03
O1   .7660 .0939   .25      1.61
O2   .2217 .4484   .25      1.55
O3   .2765 .1616 .0337      1.52
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
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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
Si   .4250 .0922   .25      0.79
O1   .7664 .0936   .25      1.26
O2   .2219 .4476   .25      1.22
O3   .2765 .1618 .0331      1.24
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
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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
Si   .4247 .0928   .25      0.74
O1   .7668 .0934   .25      1.14
O2   .2216 .4471   .25      1.08
O3   .2762 .1618 .0330      1.10
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
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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
Si   .4254 .0931   .25      0.61
O1   .7671 .0934   .25      0.98
O2   .2213 .4468   .25      1.00
O3   .2757 .1619 .0329      1.01
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
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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
Si   .4251 .0931   .25      0.55
O1   .7674 .0933   .25      0.87
O2   .2215 .4465   .25      0.88
O3   .2758 .1619 .0328      0.90
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
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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
Si   .4250 .0936   .25      0.42
O1   .7680 .0934   .25      0.69
O2   .2212 .4461   .25      0.66
O3   .2754 .1620 .0323      0.67
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
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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, on cooling
_database_code_amcsd 0002703
4.73717 10.1870 5.94660 90 90 90 Pbnm
atom     x     y     z  occ Biso
Si   .4256 .0932   .25      0.22
O1   .7679 .0932   .25      0.33
O2   .2203 .4457   .25      0.36
O3   .2756 .1625 .0318      0.36
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
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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 = 25 C
_database_code_amcsd 0002704
4.74955 10.2019 5.96718 90 90 90 Pbnm
atom     x     y     z  occ Biso
Si   .4258 .0939   .25      0.14
O1   .7672 .0926   .25      0.29
O2   .2223 .4466   .25      0.31
O3   .2757 .1627 .0324      0.30
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
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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 = 200 C
_database_code_amcsd 0002705
4.75769 10.2279 5.98117 90 90 90 Pbnm
atom     x     y     z  occ Biso
Si   .4257 .0938   .25      0.31
O1   .7667 .0926   .25      0.51
O2   .2223 .4471   .25      0.53
O3   .2762 .1625 .0328      0.54
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
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Olivine
 
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
Si   .4254 .0937   .25      0.36
O1   .7663 .0927   .25      0.56
O2   .2223 .4474   .25      0.62
O3   .2764 .1625 .0331      0.64
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
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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 = 400 C
_database_code_amcsd 0002707
4.76517 10.2566 5.99363 90 90 90 Pbnm
atom     x     y     z  occ Biso
Si   .4256 .0935   .25      0.43
O1   .7660 .0927   .25      0.70
O2   .2223 .4476   .25      0.71
O3   .2765 .1624 .0332      0.74
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
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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
Si   .4256 .0932   .25      0.48
O1   .7659 .0927   .25      0.75
O2   .2223 .4478   .25      0.76
O3   .2766 .1624 .0333      0.78
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
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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 = 500 C
_database_code_amcsd 0002709
4.76919 10.2639 6.00034 90 90 90 Pbnm
atom     x     y     z  occ Biso
Si   .4257 .0932   .25      0.50
O1   .7658 .0927   .25      0.80
O2   .2226 .4479   .25      0.82
O3   .2769 .1625 .0334      0.85
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
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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 = 550 C
_database_code_amcsd 0002710
4.77133 10.2707 6.00390 90 90 90 Pbnm
atom     x     y     z  occ Biso
Si   .4255 .0931   .25      0.55
O1   .7657 .0926   .25      0.85
O2   .2224 .4481   .25      0.85
O3   .2768 .1624 .0336      0.90
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
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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 = 600 C
_database_code_amcsd 0002711
4.77346 10.2781 6.00745 90 90 90 Pbnm
atom     x     y     z  occ Biso
Si   .4256 .0931   .25      0.59
O1   .7653 .0923   .25      0.92
O2   .2226 .4482   .25      0.92
O3   .2769 .1623 .0336      0.95
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
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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 = 650 C
_database_code_amcsd 0002712
4.77567 10.2856 6.01107 90 90 90 Pbnm
atom     x     y     z  occ Biso
Si   .4254 .0928   .25      0.63
O1   .7652 .0928   .25      0.99
O2   .2227 .4483   .25      0.98
O3   .2770 .1624 .0337      1.01
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
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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 = 700 C
_database_code_amcsd 0002713
4.77799 10.2928 6.01488 90 90 90 Pbnm
atom     x     y     z  occ Biso
Si   .4252 .0929   .25      0.66
O1   .7651 .0926   .25      1.04
O2   .2226 .4485   .25      1.04
O3   .2770 .1623 .0338      1.05
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
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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 = 750 C
_database_code_amcsd 0002714
4.78036 10.2998 6.01881 90 90 90 Pbnm
atom     x     y     z  occ Biso
Si   .4253 .0928   .25      0.71
O1   .7650 .0930   .25      1.10
O2   .2227 .4486   .25      1.10
O3   .2771 .1623 .0340      1.12
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
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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 = 800 C
_database_code_amcsd 0002715
4.78256 10.3064 6.02259 90 90 90 Pbnm
atom     x     y     z  occ Biso
Si   .4255 .0927   .25      0.76
O1   .7647 .0927   .25      1.16
O2   .2227 .4488   .25      1.15
O3   .2772 .1623 .0341      1.18
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
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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 = 850 C
_database_code_amcsd 0002716
4.78467 10.3127 6.02620 90 90 90 Pbnm
atom     x     y     z  occ Biso
Si   .4256 .0926   .25      0.78
O1   .7649 .0928   .25      1.22
O2   .2226 .4492   .25      1.12
O3   .2772 .1623 .0341      1.23
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
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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 = 900 C
_database_code_amcsd 0002717
4.78701 10.3194 6.03014 90 90 90 Pbnm
atom     x     y     z  occ Biso
Si   .4257 .0925   .25      0.83
O1   .7644 .0928   .25      1.30
O2   .2228 .4494   .25      1.30
O3   .2773 .1621 .0341      1.31
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
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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
Si   .4257 .0925   .25      0.89
O1   .7641 .0928   .25      1.37
O2   .2228 .4495   .25      1.34
O3   .2775 .1624 .0344      1.38
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
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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: 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
Si   .4253 .0927   .25      0.93
O1   .7641 .0931   .25      1.44
O2   .2229 .4495   .25      1.44
O3   .2776 .1624 .0345      1.43
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
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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: 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
Si   .4257 .0926   .25      1.01
O1   .7639 .0929   .25      1.58
O2   .2231 .4450   .25      1.54
O3   .2778 .1622 .0347      1.59
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
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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 = 300 C, on cooling
_database_code_amcsd 0002721
4.75898 10.2340 5.98423 90 90 90 Pbnm
atom     x     y     z  occ Biso
Si   .4259 .0937   .25      0.37
O1   .7664 .0926   .25      0.60
O2   .2222 .4474   .25      0.60
O3   .2763 .1625 .0332      0.64
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
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Olivine
 
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
Si   .4256 .0937   .25      0.21
O1   .7666 .0926   .25      0.35
O2   .2219 .4467   .25      0.38
O3   .2765 .1627 .0324      0.37
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
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FeMnSiO4
 
Redfern S A T, Henderson C M B, Knight K S, Wood B J
 
European Journal of Mineralogy 9 (1997) 287-300
High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4
olivines: an in situ neutron diffraction study
Sample: T = 20 C
_database_code_amcsd 0006655
4.86145 10.5839 6.16980 90 90 90 Pbnm
atom     x     y     z  occ Biso
FeM1     0     0     0 .674  .37
MnM1     0     0     0 .326  .37
MnM2  .970 .2821   .25 .674  .37
FeM2  .970 .2821   .25 .326  .37
Si   .4272 .0963   .25       .22
O1   .7631 .0923   .25       .55
O2   .2135 .4540   .25       .52
O3   .2872 .1638 .0385       .50
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FeMnSiO4
 
Redfern S A T, Henderson C M B, Knight K S, Wood B J
 
European Journal of Mineralogy 9 (1997) 287-300
High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4
olivines: an in situ neutron diffraction study
Sample: T = 100 C
_database_code_amcsd 0006656
4.86394 10.5915 6.17510 90 90 90 Pbnm
atom     x     y     z  occ Biso
FeM1     0     0     0 .673 .51
MnM1     0     0     0 .327 .51
MnM2  .972 .2850   .25 .673 .51
FeM2  .972 .2850   .25 .327 .51
Si   .4275 .0965   .25      .38
O1   .7622 .0924   .25      .73
O2   .2132 .4538   .25      .72
O3   .2875 .1641 .0389      .71
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FeMnSiO4
 
Redfern S A T, Henderson C M B, Knight K S, Wood B J
 
European Journal of Mineralogy 9 (1997) 287-300
High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4
olivines: an in situ neutron diffraction study
Sample: T = 200 C
_database_code_amcsd 0006657
4.86743 10.6011 6.18226 90 90 90 Pbnm
atom     x     y     z  occ Biso
FeM1     0     0     0 .671  .70
MnM1     0     0     0 .329  .70
MnM2  .975 .2846   .25 .671  .70
FeM2  .975 .2846   .25 .329  .70
Si   .4274 .0965   .25       .47
O1   .7625 .0925   .25       .87
O2   .2131 .4542   .25       .88
O3   .2879 .1639 .0390       .88
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FeMnSiO4
 
Redfern S A T, Henderson C M B, Knight K S, Wood B J
 
European Journal of Mineralogy 9 (1997) 287-300
High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4
olivines: an in situ neutron diffraction study
Sample: T = 300 C
_database_code_amcsd 0006658
4.87189 10.6134 6.1905 90 90 90 Pbnm
atom     x     y     z  occ Biso
FeM1     0     0     0 .674  .79
MnM1     0     0     0 .326  .79
MnM2  .969 .2863   .25 .674  .79
FeM2  .969 .2863   .25 .326  .79
Si   .4265 .0963   .25       .57
O1   .7623 .0932   .25      1.08
O2   .2134 .4543   .25      1.07
O3   .2873 .1641 .0392       .99
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FeMnSiO4
 
Redfern S A T, Henderson C M B, Knight K S, Wood B J
 
European Journal of Mineralogy 9 (1997) 287-300
High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4
olivines: an in situ neutron diffraction study
Sample: T = 400 C
_database_code_amcsd 0006659
4.87650 10.6249 6.19849 90 90 90 Pbnm
atom     x     y     z  occ Biso
FeM1     0     0     0 .674  .94
MnM1     0     0     0 .326  .94
MnM2  .969 .2877   .25 .674  .94
FeM2  .969 .2877   .25 .326  .94
Si   .4274 .0963   .25       .64
O1   .7619 .0934   .25      1.22
O2   .2132 .4546   .25      1.26
O3   .2877 .1641 .0393      1.19
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FeMnSiO4
 
Redfern S A T, Henderson C M B, Knight K S, Wood B J
 
European Journal of Mineralogy 9 (1997) 287-300
High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4
olivines: an in situ neutron diffraction study
Sample: T = 450 C
_database_code_amcsd 0006660
4.87826 10.6312 6.20213 90 90 90 Pbnm
atom     x     y     z  occ Biso
FeM1     0     0     0 .679 1.12
MnM1     0     0     0 .321 1.12
MnM2  .965 .2889   .25 .679 1.12
FeM2  .965 .2889   .25 .321 1.12
Si   .4270 .0965   .25       .73
O1   .7613 .0931   .25      1.32
O2   .2138 .4548   .25      1.40
O3   .2876 .1639 .0397      1.27
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FeMnSiO4
 
Redfern S A T, Henderson C M B, Knight K S, Wood B J
 
European Journal of Mineralogy 9 (1997) 287-300
High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4
olivines: an in situ neutron diffraction study
Sample: T = 550 C
_database_code_amcsd 0006661
4.88292 10.6447 6.21066 90 90 90 Pbnm
atom     x     y     z  occ Biso
FeM1     0     0     0 .685 1.28
MnM1     0     0     0 .315 1.28
MnM2  .957 .2921   .25 .685 1.28
FeM2  .957 .2921   .25 .315 1.28
Si   .4262 .0962   .25       .87
O1   .7622 .0934   .25      1.51
O2   .2135 .4547   .25      1.57
O3   .2874 .1641 .0403      1.46
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FeMnSiO4
 
Redfern S A T, Henderson C M B, Knight K S, Wood B J
 
European Journal of Mineralogy 9 (1997) 287-300
High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4
olivines: an in situ neutron diffraction study
Sample: T = 600 C
_database_code_amcsd 0006662
4.88544 10.6499 6.21456 90 90 90 Pbnm
atom     x     y     z  occ Biso
FeM1     0     0     0 .674 1.37
MnM1     0     0     0 .326 1.37
MnM2  .965 .2907   .25 .674 1.37
FeM2  .965 .2907   .25 .326 1.37
Si   .4270 .0965   .25       .97
O1   .7612 .0939   .25      1.63
O2   .2134 .4548   .25      1.73
O3   .2878 .1642 .0401      1.57
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FeMnSiO4
 
Redfern S A T, Henderson C M B, Knight K S, Wood B J
 
European Journal of Mineralogy 9 (1997) 287-300
High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4
olivines: an in situ neutron diffraction study
Sample: T = 650 C
_database_code_amcsd 0006663
4.88766 10.6543 6.21842 90 90 90 Pbnm
atom     x     y     z  occ Biso
FeM1     0     0     0 .664 1.45
MnM1     0     0     0 .336 1.45
MnM2  .963 .2909   .25 .664 1.45
FeM2  .963 .2909   .25 .336 1.45
Si   .4267 .0964   .25      1.03
O1   .7613 .0938   .25      1.71
O2   .2132 .4552   .25      1.76
O3   .2882 .1642 .0403      1.67
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FeMnSiO4
 
Redfern S A T, Henderson C M B, Knight K S, Wood B J
 
European Journal of Mineralogy 9 (1997) 287-300
High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4
olivines: an in situ neutron diffraction study
Sample: T = 700 C
_database_code_amcsd 0006664
4.89032 10.6595 6.22274 90 90 90 Pbnm
atom     x     y     z  occ Biso
FeM1     0     0     0 .659 1.66
MnM1     0     0     0 .341 1.66
MnM2  .970 .2881   .25 .659 1.66
FeM2  .970 .2881   .25 .341 1.66
Si   .4267 .0965   .25      1.05
O1   .7616 .0940   .25      1.85
O2   .2131 .4552   .25      1.89
O3   .2880 .1645 .0403      1.80
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FeMnSiO4
 
Redfern S A T, Henderson C M B, Knight K S, Wood B J
 
European Journal of Mineralogy 9 (1997) 287-300
High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4
olivines: an in situ neutron diffraction study
Sample: T = 750 degree C
_database_code_amcsd 0006665
4.89292 10.6653 6.2270 90 90 90 Pbnm
atom     x     y     z  occ Biso
FeM1     0     0     0 .652 1.74
MnM1     0     0     0 .348 1.74
MnM2  .976 .2873   .25 .652 1.74
FeM2  .976 .2873   .25 .348 1.74
Si   .4271 .0969   .25      1.14
O1   .7614 .0969   .25      1.87
O2   .2133 .4554   .25      2.01
O3   .2886 .1646 .0404      1.93
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FeMnSiO4
 
Redfern S A T, Henderson C M B, Knight K S, Wood B J
 
European Journal of Mineralogy 9 (1997) 287-300
High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4
olivines: an in situ neutron diffraction study
Sample: T = 800 C
_database_code_amcsd 0006666
4.89570 10.6711 6.2309 90 90 90 Pbnm
atom     x     y     z  occ Biso
FeM1     0     0     0 .647 1.84
MnM1     0     0     0 .353 1.84
MnM2  .978 .2888   .25 .647 1.84
FeM2  .978 .2888   .25 .353 1.84
Si   .4269 .0965   .25      1.17
O1   .7611 .0938   .25      2.03
O2   .2137 .4555   .25      2.09
O3   .2883 .1646 .0408      1.98
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FeMnSiO4
 
Redfern S A T, Henderson C M B, Knight K S, Wood B J
 
European Journal of Mineralogy 9 (1997) 287-300
High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4
olivines: an in situ neutron diffraction study
Sample: T = 850 C
_database_code_amcsd 0006667
4.89828 10.6766 6.2354 90 90 90 Pbnm
atom     x     y     z  occ Biso
FeM1     0     0     0 .641 1.99
MnM1     0     0     0 .359 1.99
MnM2  .976 .2881   .25 .641 1.99
FeM2  .976 .2881   .25 .359 1.99
Si   .4274 .0965   .25      1.32
O1   .7617 .0942   .25      2.10
O2   .2131 .4556   .25      2.30
O3   .2887 .1646 .0412      2.16
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FeMnSiO4
 
Redfern S A T, Henderson C M B, Knight K S, Wood B J
 
European Journal of Mineralogy 9 (1997) 287-300
High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4
olivines: an in situ neutron diffraction study
Sample: T = 900 C
_database_code_amcsd 0006668
4.9010 10.6834 6.2399 90 90 90 Pbnm
atom     x     y     z  occ Biso
FeM1     0     0     0 .638 2.18
MnM1     0     0     0 .362 2.18
MnM2  .975 .2868   .25 .638 2.18
FeM2  .975 .2868   .25 .362 2.18
Si   .4284 .0968   .25      1.33
O1   .7618 .0945   .25      2.33
O2   .2135 .4556   .25      2.39
O3   .2892 .1649 .0413      2.30
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FeMnSiO4
 
Redfern S A T, Henderson C M B, Knight K S, Wood B J
 
European Journal of Mineralogy 9 (1997) 287-300
High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4
olivines: an in situ neutron diffraction study
Sample: T = 950 C
_database_code_amcsd 0006669
4.9041 10.6899 6.2441 90 90 90 Pbnm
atom     x     y     z  occ Biso
FeM1     0     0     0 .630 2.27
MnM1     0     0     0 .370 2.27
MnM2  .972 .2874   .25 .630 2.27
FeM2  .972 .2874   .25 .370 2.27
Si   .4283 .0962   .25      1.37
O1   .7616 .0941   .25      2.32
O2   .2129 .4560   .25      2.47
O3   .2888 .1647 .0409      2.37
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FeMnSiO4
 
Redfern S A T, Henderson C M B, Knight K S, Wood B J
 
European Journal of Mineralogy 9 (1997) 287-300
High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4
olivines: an in situ neutron diffraction study
Sample: T = 1000 C
_database_code_amcsd 0006670
4.9067 10.6964 6.2491 90 90 90 Pbnm
atom     x     y     z  occ Biso
FeM1     0     0     0 .621  2.5
MnM1     0     0     0 .379  2.5
MnM2  .985 .2894   .25 .621  2.5
FeM2  .985 .2894   .25 .379  2.5
Si   .4278 .0963   .25      1.63
O1   .7625 .0942   .25      2.44
O2   .2127 .4562   .25      2.71
O3   .2895 .1651 .0417      2.57
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FeMnSiO4
 
Redfern S A T, Henderson C M B, Knight K S, Wood B J
 
European Journal of Mineralogy 9 (1997) 287-300
High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4
olivines: an in situ neutron diffraction study
Sample: T = 800 C, Data collected on cooling
_database_code_amcsd 0006671
4.8957 10.6710 6.2316 90 90 90 Pbnm
atom     x     y     z  occ Biso
FeM1     0     0     0 .646  2.1
MnM1     0     0     0 .354  2.1
MnM2  .976 .2850   .25 .646  2.1
FeM2  .976 .2850   .25 .354  2.1
Si   .4279 .0961   .25      1.18
O1   .7615 .0938   .25      2.03
O2   .2130 .4558   .25      2.08
O3   .2884 .1643 .0408      2.05
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FeMnSiO4
 
Redfern S A T, Henderson C M B, Knight K S, Wood B J
 
European Journal of Mineralogy 9 (1997) 287-300
High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4
olivines: an in situ neutron diffraction study
Sample: T = 600 C, Data collected on cooling
_database_code_amcsd 0006672
4.8850 10.6490 6.2141 90 90 90 Pbnm
atom     x     y     z  occ Biso
FeM1     0     0     0 .674 1.35
MnM1     0     0     0 .326 1.35
MnM2  .964 .2876   .25 .674 1.35
FeM2  .964 .2876   .25 .326 1.35
Si   .4269 .0957   .25       .98
O1   .7624 .0936   .25      1.65
O2   .2122 .4552   .25      1.67
O3   .2880 .1642 .0402      1.62
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FeMnSiO4
 
Redfern S A T, Henderson C M B, Knight K S, Wood B J
 
European Journal of Mineralogy 9 (1997) 287-300
High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4
olivines: an in situ neutron diffraction study
Sample: T = 550 C, Data collected on cooling
_database_code_amcsd 0006673
4.8824 10.6432 6.2103 90 90 90 Pbnm
atom     x     y     z  occ Biso
FeM1     0     0     0 .687 1.27
MnM1     0     0     0 .313 1.27
MnM2  .982 .2876   .25 .687 1.27
FeM2  .982 .2876   .25 .313 1.27
Si   .4264 .0968   .25       .83
O1   .7623 .0943   .25      1.50
O2   .2138 .4546   .25      1.68
O3   .2877 .1646 .0404      1.40
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FeMnSiO4
 
Redfern S A T, Henderson C M B, Knight K S, Wood B J
 
European Journal of Mineralogy 9 (1997) 287-300
High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4
olivines: an in situ neutron diffraction study
Sample: T = 500 C, Data collected on cooling
_database_code_amcsd 0006674
4.8798 10.6376 6.2060 90 90 90 Pbnm
atom     x     y     z  occ Biso
FeM1     0     0     0 .691 1.12
MnM1     0     0     0 .309 1.12
MnM2  .966 .2904   .25 .691 1.12
FeM2  .966 .2904   .25 .309 1.12
Si   .4269 .0962   .25       .79
O1   .7609 .0936   .25      1.41
O2   .2146 .4549   .25      1.50
O3   .2879 .1643 .0401      1.33
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FeMnSiO4
 
Redfern S A T, Henderson C M B, Knight K S, Wood B J
 
European Journal of Mineralogy 9 (1997) 287-300
High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4
olivines: an in situ neutron diffraction study
Sample: T = 450 C, Data collected on cooling
_database_code_amcsd 0006675
4.8776 10.6325 6.2019 90 90 90 Pbnm
atom     x     y     z  occ Biso
FeM1     0     0     0 .692 1.14
MnM1     0     0     0 .308 1.14
MnM2  .979 .2882   .25 .692 1.14
FeM2  .979 .2882   .25 .308 1.14
Si   .4264 .0962   .25       .66
O1   .7615 .0932   .25      1.29
O2   .2138 .4547   .25      1.45
O3   .2879 .1641 .0403      1.22
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FeMnSiO4
 
Redfern S A T, Henderson C M B, Knight K S, Wood B J
 
European Journal of Mineralogy 9 (1997) 287-300
High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4
olivines: an in situ neutron diffraction study
Sample: T = 400 C, Data collected on cooling
_database_code_amcsd 0006676
4.8754 10.6260 6.1980 90 90 90 Pbnm
atom     x     y     z  occ Biso
FeM1     0     0     0 .692 1.03
MnM1     0     0     0 .308 1.03
MnM2  .971 .2859   .25 .692 1.03
FeM2  .971 .2859   .25 .308 1.03
Si   .4277 .0963   .25       .65
O1   .7622 .0929   .25      1.22
O2   .2133 .4545   .25      1.26
O3   .2877 .1638 .0400      1.20
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FeMnSiO4
 
Redfern S A T, Henderson C M B, Knight K S, Wood B J
 
European Journal of Mineralogy 9 (1997) 287-300
High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4
olivines: an in situ neutron diffraction study
Data collected at ISIS, Rutherford Appleton Laboratory
Sample: T = 200 C, Data collected on cooling
_database_code_amcsd 0006677
4.8671 10.6043 6.1828 90 90 90 Pbnm
atom     x     y     z  occ Biso
FeM1     0     0     0 .689  .67
MnM1     0     0     0 .311  .67
MnM2  .965 .2861   .25 .689  .67
FeM2  .965 .2861   .25 .311  .67
Si   .4280 .0961   .25       .44
O1   .7619 .0921   .25       .90
O2   .2135 .4542   .25       .93
O3   .2882 .1637 .0395       .89
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MgMnSiO4
 
Redfern S A T, Henderson C M B, Knight K S, Wood B J
 
European Journal of Mineralogy 9 (1997) 287-300
High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4
olivines: an in situ neutron diffraction study
Sample: T = 20 C
_database_code_amcsd 0006678
4.81694 10.4740 6.13964 90 90 90 Pbnm
atom     x     y     z  occ Biso
MgM1     0     0     0 .732  .46
MnM1     0     0     0 .268  .46
MnM2 .9801 .2759   .25 .732  .46
MgM2 .9801 .2759   .25 .268  .46
Si   .4224 .0934   .25       .53
O1   .7603 .0895   .25       .76
O2   .2255 .4501   .25       .68
O3   .2790 .1611 .0375       .75
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MgMnSiO4
 
Redfern S A T, Henderson C M B, Knight K S, Wood B J
 
European Journal of Mineralogy 9 (1997) 287-300
High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4
olivines: an in situ neutron diffraction study
Sample: T = 200 C
_database_code_amcsd 0006679
4.82397 10.4977 6.1515 90 90 90 Pbnm
atom     x     y     z  occ Biso
MgM1     0     0     0 .732  .75
MnM1     0     0     0 .268  .75
MnM2 .9817 .2769   .25 .732  .75
MgM2 .9817 .2769   .25 .268  .75
Si   .4225 .0930   .25       .62
O1   .7598 .0897   .25      1.02
O2   .2257 .4507   .25       .91
O3   .2793 .1612 .0377      1.07
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MgMnSiO4
 
Redfern S A T, Henderson C M B, Knight K S, Wood B J
 
European Journal of Mineralogy 9 (1997) 287-300
High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4
olivines: an in situ neutron diffraction study
Sample: T = 300 C
_database_code_amcsd 0006680
4.82822 10.5114 6.1582 90 90 90 Pbnm
atom     x     y     z  occ Biso
MgM1     0     0     0 .739  .98
MnM1     0     0     0 .261  .98
MnM2 .9806 .2783   .25 .739  .98
MgM2 .9806 .2783   .25 .261  .98
Si   .4231 .0936   .25       .71
O1   .7601 .0897   .25      1.22
O2   .2255 .4509   .25      1.13
O3   .2793 .1613 .0377      1.18
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MgMnSiO4
 
Redfern S A T, Henderson C M B, Knight K S, Wood B J
 
European Journal of Mineralogy 9 (1997) 287-300
High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4
olivines: an in situ neutron diffraction study
Sample: T = 400 C
_database_code_amcsd 0006681
4.83184 10.5276 6.1653 90 90 90 Pbnm
atom     x     y     z  occ Biso
MgM1     0     0     0 .744 1.18
MnM1     0     0     0 .256 1.18
MnM2  .983 .2768   .25 .744 1.18
MgM2  .983 .2768   .25 .256 1.18
Si   .4244 .0935   .25       .85
O1   .7591 .0893   .25      1.34
O2   .2257 .4510   .25      1.21
O3   .2798 .1611 .0381      1.34
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MgMnSiO4
 
Redfern S A T, Henderson C M B, Knight K S, Wood B J
 
European Journal of Mineralogy 9 (1997) 287-300
High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4
olivines: an in situ neutron diffraction study
Sample: T = 450 C
_database_code_amcsd 0006682
4.83275 10.5385 6.1689 90 90 90 Pbnm
atom     x     y     z  occ Biso
MgM1     0     0     0 .762 1.21
MnM1     0     0     0 .238 1.21
MnM2  .984 .2770   .25 .762 1.21
MgM2  .984 .2770   .25 .238 1.21
Si   .4225 .0929   .25       .88
O1   .7588 .0890   .25      1.39
O2   .2262 .4511   .25      1.26
O3   .2797 .1611 .0380      1.43
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MgMnSiO4
 
Redfern S A T, Henderson C M B, Knight K S, Wood B J
 
European Journal of Mineralogy 9 (1997) 287-300
High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4
olivines: an in situ neutron diffraction study
Sample: T = 500 C
_database_code_amcsd 0006683
4.83551 10.5439 6.1727 90 90 90 Pbnm
atom     x      y     z  occ Biso
MgM1     0      0     0 .754 1.35
MnM1     0      0     0 .246 1.35
MnM2  .982  .2776   .25 .754 1.35
MgM2  .982  .2776   .25 .246 1.35
Si   .4228  .0931   .25       .89
O1   .7593 .08921   .25      1.48
O2   .2258  .4513   .25      1.36
O3   .2802  .1611 .0382      1.53
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MgMnSiO4
 
Redfern S A T, Henderson C M B, Knight K S, Wood B J
 
European Journal of Mineralogy 9 (1997) 287-300
High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4
olivines: an in situ neutron diffraction study
Sample: T = 550 C
_database_code_amcsd 0006684
4.83884 10.5478 6.17606 90 90 90 Pbnm
atom     x     y     z  occ Biso
MgM1     0     0     0 .734 1.26
MnM1     0     0     0 .266 1.26
MnM2  .986 .2752   .25 .734 1.26
MgM2  .986 .2752   .25 .266 1.26
Si   .4227 .0927   .25       .96
O1   .7587 .0896   .25      1.55
O2   .2250 .4515   .25      1.45
O3   .2803 .1610 .0380      1.66
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MgMnSiO4
 
Redfern S A T, Henderson C M B, Knight K S, Wood B J
 
European Journal of Mineralogy 9 (1997) 287-300
High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4
olivines: an in situ neutron diffraction study
Sample: T = 600 C
_database_code_amcsd 0006685
4.8423 10.5515 6.1795 90 90 90 Pbnm
atom     x     y     z  occ Biso
MgM1     0     0     0 .723  1.4
MnM1     0     0     0 .277  1.4
MnM2  .981 .2781   .25 .723  1.4
MgM2  .981 .2781   .25 .277  1.4
Si   .4226 .0931   .25      1.01
O1   .7593 .0898   .25      1.74
O2   .2253 .4518   .25      1.52
O3   .2807 .1617 .0384      1.71
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MgMnSiO4
 
Redfern S A T, Henderson C M B, Knight K S, Wood B J
 
European Journal of Mineralogy 9 (1997) 287-300
High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4
olivines: an in situ neutron diffraction study
Sample: T = 650 C
_database_code_amcsd 0006686
4.8459 10.5566 6.1830 90 90 90 Pbnm
atom     x     y     z  occ Biso
MgM1     0     0     0 .715  1.8
MnM1     0     0     0 .285  1.8
MnM2  .975 .2725   .25 .715  1.8
MgM2  .975 .2725   .25 .285  1.8
Si   .4238 .0933   .25      1.16
O1   .7600 .0898   .25      1.82
O2   .2235 .4513   .25      1.75
O3   .2824 .1626 .0389      1.85
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MgMnSiO4
 
Redfern S A T, Henderson C M B, Knight K S, Wood B J
 
European Journal of Mineralogy 9 (1997) 287-300
High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4
olivines: an in situ neutron diffraction study
Sample: T = 700 C
_database_code_amcsd 0006687
4.8495 10.5610 6.1873 90 90 90 Pbnm
atom     x     y     z  occ Biso
MgM1     0     0     0 .686  1.5
MnM1     0     0     0 .314  1.5
MnM2  .989 .2701   .25 .686  1.5
MgM2  .989 .2701   .25 .314  1.5
Si   .4245 .0936   .25      1.26
O1   .7606 .0904   .25      1.95
O2   .2226 .4515   .25      1.90
O3   .2820 .1620 .0386      1.99
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MgMnSiO4
 
Redfern S A T, Henderson C M B, Knight K S, Wood B J
 
European Journal of Mineralogy 9 (1997) 287-300
High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4
olivines: an in situ neutron diffraction study
Sample: T = 750 C
_database_code_amcsd 0006688
4.8530 10.5664 6.1908 90 90 90 Pbnm
atom     x     y     z  occ Biso
MgM1     0     0     0 .691  2.1
MnM1     0     0     0 .309  2.1
MnM2  .975 .2710   .25 .691  2.1
MgM2  .975 .2710   .25 .309  2.1
Si   .4253 .0933   .25      1.31
O1   .7595 .0904   .25      2.11
O2   .2224 .4521   .25      1.96
O3   .2822 .1625 .0385      2.12
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MgMnSiO4
 
Redfern S A T, Henderson C M B, Knight K S, Wood B J
 
European Journal of Mineralogy 9 (1997) 287-300
High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4
olivines: an in situ neutron diffraction study
Sample: T = 800 C
_database_code_amcsd 0006689
4.8657 10.5893 6.2066 90 90 90 Pbnm
atom     x     y     z  occ Biso
MgM1     0     0     0 .681  3.0
MnM1     0     0     0 .319  3.0
MnM2  .987 .2572   .25 .681  3.0
MgM2  .987 .2572   .25 .319  3.0
Si   .4235 .0935   .25      1.60
O1   .7593 .0914   .25      2.45
O2   .2211 .4519   .25      2.41
O3   .2840 .1629 .0393      2.63
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MgMnSiO4
 
Redfern S A T, Henderson C M B, Knight K S, Wood B J
 
European Journal of Mineralogy 9 (1997) 287-300
High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4
olivines: an in situ neutron diffraction study
Sample: T = 850 C
_database_code_amcsd 0006690
4.8592 10.5772 6.1988 90 90 90 Pbnm
atom     x     y     z  occ Biso
MgM1     0     0     0 .665  2.0
MnM1     0     0     0 .335  2.0
MnM2  .985 .2682   .25 .665  2.0
MgM2  .985 .2682   .25 .335  2.0
Si   .4240 .0941   .25      1.49
O1   .7593 .0910   .25      2.10
O2   .2226 .4514   .25      2.15
O3   .2841 .1625 .0383      2.24
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MgMnSiO4
 
Redfern S A T, Henderson C M B, Knight K S, Wood B J
 
European Journal of Mineralogy 9 (1997) 287-300
High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4
olivines: an in situ neutron diffraction study
Sample: T = 900 C
_database_code_amcsd 0006691
4.8628 10.5827 6.2022 90 90 90 Pbnm
atom     x     y     z  occ Biso
MgM1     0     0     0 .671  2.8
MnM1     0     0     0 .329  2.8
MnM2  .001 .2626   .25 .671  2.8
MgM2  .001 .2626   .25 .329  2.8
Si   .4238 .0935   .25      1.58
O1   .7597 .0904   .25      2.20
O2   .2204 .4521   .25      2.11
O3   .2832 .1626 .0393      2.46
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MgMnSiO4
 
Redfern S A T, Henderson C M B, Knight K S, Wood B J
 
European Journal of Mineralogy 9 (1997) 287-300
High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4
olivines: an in situ neutron diffraction study
Sample: T = 950 C
_database_code_amcsd 0006692
4.8657 10.5894 6.2066 90 90 90 Pbnm
atom     x     y     z  occ Biso
MgM1     0     0     0 .657  3.0
MnM1     0     0     0 .343  3.0
MnM2  .998 .2572   .25 .657  3.0
MgM2  .998 .2572   .25 .343  3.0
Si   .4235 .0935   .25      1.60
O1   .7593 .0914   .25      2.45
O2   .2211 .4519   .25      2.42
O3   .2840 .1629 .0393      2.63
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MgMnSiO4
 
Redfern S A T, Henderson C M B, Knight K S, Wood B J
 
European Journal of Mineralogy 9 (1997) 287-300
High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4
olivines: an in situ neutron diffraction study
Sample: T = 1000 C
_database_code_amcsd 0006693
4.8691 10.5954 6.2114 90 90 90 Pbnm
atom     x     y     z  occ Biso
MgM1     0     0     0 .647  2.9
MnM1     0     0     0 .353  2.9
MnM2  .986 .2619   .25 .647  2.9
MgM2  .986 .2619   .25 .353  2.9
Si   .4235 .0927   .25      1.86
O1   .7598 .0911   .25      2.47
O2   .2217 .4525   .25      2.50
O3   .2853 .1628 .0401      2.82
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Effenbergerite
 
Knight K S, Henderson C M B
 
European Journal of Mineralogy 19 (2007) 189-200
Structural basis for the anomalous low-temperature thermal expansion
behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10
Sample: T = 5 K
_database_code_amcsd 0007199
7.39675 7.39675 15.8465 90 90 90 *P4/ncc
.25 -.25 0
atom     x      y      z occ  Uiso
Ba     .25    .75      0  .5 .0253
Sr     .25    .75      0  .5 .0253
Cu     .25    .25 .09138     .0459
Si   .5123  .9335 .15175     .0257
O1   .4544  .9842  .2459     .0558
O2   .7178 -.0002 .13313     .0555
O3   .3736  .0234 .08813     .0668
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Effenbergerite
 
Knight K S, Henderson C M B
 
European Journal of Mineralogy 19 (2007) 189-200
Structural basis for the anomalous low-temperature thermal expansion
behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10
Sample: T = 25 K
_database_code_amcsd 0007200
7.39640 7.39640 15.8466 90 90 90 *P4/ncc
.25 -.25 0
atom     x      y      z occ  Uiso
Ba     .25    .75      0  .5 .0251
Sr     .25    .75      0  .5 .0251
Cu     .25    .25 .09136     .0469
Si   .5122  .9334 .15173     .0254
O1   .4545  .9840  .2459     .0554
O2   .7177 -.0002 .13312     .0541
O3   .3736  .0234 .08812     .0664
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Effenbergerite
 
Knight K S, Henderson C M B
 
European Journal of Mineralogy 19 (2007) 189-200
Structural basis for the anomalous low-temperature thermal expansion
behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10
Sample: T = 50 K
_database_code_amcsd 0007201
7.39601 7.39601 15.8469 90 90 90 *P4/ncc
.25 -.25 0
atom     x      y      z occ  Uiso
Ba     .25    .75      0  .5 .0281
Sr     .25    .75      0  .5 .0281
Cu     .25    .25 .09149     .0498
Si   .5123  .9335 .15179     .0263
O1   .4543  .9842  .2459     .0606
O2   .7178 -.0001 .13316     .0574
O3   .3737  .0234 .08818     .0676
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Effenbergerite
 
Knight K S, Henderson C M B
 
European Journal of Mineralogy 19 (2007) 189-200
Structural basis for the anomalous low-temperature thermal expansion
behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10
Sample: T = 100 K
_database_code_amcsd 0007202
7.39533 7.39533 15.8482 90 90 90 *P4/ncc
.25 -.25 0
atom     x     y      z occ  Uiso
Ba     .25   .75      0  .5 .0378
Sr     .25   .75      0  .5 .0378
Cu     .25   .25 .09160     .0570
Si   .5123 .9336 .15183     .0286
O1   .4539 .9849  .2459     .0661
O2   .7179 .0000 .13326     .0641
O3   .3738 .0236 .08818     .0720
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Effenbergerite
 
Knight K S, Henderson C M B
 
European Journal of Mineralogy 19 (2007) 189-200
Structural basis for the anomalous low-temperature thermal expansion
behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10
Sample: T = 150 K
_database_code_amcsd 0007203
7.39482 7.39482 15.8504 90 90 90 *P4/ncc
.25 -.25 0
atom     x     y      z occ  Uiso
Ba     .25   .75      0  .5 .0483
Sr     .25   .75      0  .5 .0483
Cu     .25   .25  .0918     .0652
Si   .5123 .9335 .15191     .0316
O1   .4538 .9854  .2459     .0816
O2   .7180 .0000 .13343     .0708
O3   .3741 .0239 .08825     .0786
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Effenbergerite
 
Knight K S, Henderson C M B
 
European Journal of Mineralogy 19 (2007) 189-200
Structural basis for the anomalous low-temperature thermal expansion
behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10
Sample: T = 200 K
_database_code_amcsd 0007204
7.39447 7.39447 15.8534 90 90 90 *P4/ncc
.25 -.25 0
atom     x      y      z occ  Uiso
Ba     .25    .75      0  .5 .0576
Sr     .25    .75      0  .5 .0576
Cu     .25    .25  .0919     .0758
Si   .5125  .9337 .15204     .0344
O1   .4532  .9863  .2459     .0970
O2   .7183 -.0002 .13358     .0796
O3   .3744  .0242 .08828     .0854
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Effenbergerite
 
Knight K S, Henderson C M B
 
European Journal of Mineralogy 19 (2007) 189-200
Structural basis for the anomalous low-temperature thermal expansion
behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10
Sample: T = 250 K
_database_code_amcsd 0007205
7.39428 7.39428 15.8573 90 90 90 *P4/ncc
.25 -.25 0
atom     x      y      z occ  Uiso
Ba     .25    .75      0  .5 .0704
Sr     .25    .75      0  .5 .0704
Cu     .25    .25  .0921     .0838
Si   .5126  .9338 .15210     .0389
O1   .4527  .9870  .2458     .1116
O2   .7186 -.0002 .13377     .0893
O3   .3747  .0245 .08834     .0930
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Effenbergerite
 
Knight K S, Henderson C M B
 
European Journal of Mineralogy 19 (2007) 189-200
Structural basis for the anomalous low-temperature thermal expansion
behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10
Sample: T = 300 K
_database_code_amcsd 0007206
7.39425 7.39425 15.8621 90 90 90 *P4/ncc
.25 -.25 0
atom     x      y      z occ  Uiso
Ba     .25    .75      0  .5 .0819
Sr     .25    .75      0  .5 .0704
Cu     .25    .25  .0923     .0945
Si   .5130  .9338 .15226     .0433
O1   .4519  .9877  .2457     .1232
O2   .7188 -.0002 .13392     .1010
O3   .3750  .0247 .08834     .1041
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Wesselsite
 
Knight K S, Henderson C M B
 
European Journal of Mineralogy 19 (2007) 189-200
Structural basis for the anomalous low-temperature thermal expansion
behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10
Sample: T = 5 K
_database_code_amcsd 0007207
7.39675 7.39675 15.8465 90 90 90 *P4/ncc
.25 -.25 0
atom     x      y      z occ  Uiso
Ba     .25    .75      0  .5 .0253
Sr     .25    .75      0  .5 .0253
Cu     .25    .25 .09138     .0459
Si   .5123  .9335 .15175     .0257
O1   .4544  .9842  .2459     .0558
O2   .7178 -.0002 .13313     .0555
O3   .3736  .0234 .08813     .0668
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Wesselsite
 
Knight K S, Henderson C M B
 
European Journal of Mineralogy 19 (2007) 189-200
Structural basis for the anomalous low-temperature thermal expansion
behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10
Sample: T = 25 K
_database_code_amcsd 0007208
7.39640 7.39640 15.8466 90 90 90 *P4/ncc
.25 -.25 0
atom     x      y      z occ  Uiso
Ba     .25    .75      0  .5 .0251
Sr     .25    .75      0  .5 .0251
Cu     .25    .25 .09136     .0469
Si   .5122  .9334 .15173     .0254
O1   .4545  .9840  .2459     .0554
O2   .7177 -.0002 .13312     .0541
O3   .3736  .0234 .08812     .0664
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View JMOL 3-D Structure
 
Wesselsite
 
Knight K S, Henderson C M B
 
European Journal of Mineralogy 19 (2007) 189-200
Structural basis for the anomalous low-temperature thermal expansion
behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10
Sample: T = 50 K
_database_code_amcsd 0007209
7.39601 7.39601 15.8469 90 90 90 *P4/ncc
.25 -.25 0
atom     x      y      z occ  Uiso
Ba     .25    .75      0  .5 .0281
Sr     .25    .75      0  .5 .0281
Cu     .25    .25 .09149     .0498
Si   .5123  .9335 .15179     .0263
O1   .4543  .9842  .2459     .0606
O2   .7178 -.0001 .13316     .0574
O3   .3737  .0234 .08818     .0676
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Wesselsite
 
Knight K S, Henderson C M B
 
European Journal of Mineralogy 19 (2007) 189-200
Structural basis for the anomalous low-temperature thermal expansion
behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10
Sample: T = 100 K
_database_code_amcsd 0007210
7.39533 7.39533 15.8482 90 90 90 *P4/ncc
.25 -.25 0
atom     x     y      z occ  Uiso
Ba     .25   .75      0  .5 .0378
Sr     .25   .75      0  .5 .0378
Cu     .25   .25 .09160     .0570
Si   .5123 .9336 .15183     .0286
O1   .4539 .9849  .2459     .0661
O2   .7179 .0000 .13326     .0641
O3   .3738 .0236 .08818     .0720
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Total number of retrieved datasets: 148
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Number of datasets in this page:100


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