|
Olivine |
| |
Ottonello G, Della Giusta A, Molin G M |
 |
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Olivine |
| |
Ottonello G, Della Giusta A, Molin G M |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Olivine |
| |
Ottonello G, Della Giusta A, Molin G M |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Olivine |
| |
Ottonello G, Della Giusta A, Molin G M |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Olivine |
| |
Ottonello G, Della Giusta A, Molin G M |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Olivine |
| |
Ottonello G, Della Giusta A, Molin G M |
|
American Mineralogist 74 (1989) 411-421 |
|
Cation ordering in Ni-Mg olivines |
|
sample Ni.51, synthesized at 890 C, then quenched |
|
MgNiSiO4 |
|
_database_code_amcsd 0001221 |
|
4.7392 10.1939 5.9432 90 90 90 Pbnm |
|
atom x y z occ Biso |
|
Ni1 0 0 0 .788 0.51 |
|
Mg1 0 0 0 .212 0.51 |
|
Ni2 .9901 .2751 .25 .246 0.59 |
|
Mg2 .9901 .2751 .25 .754 0.59 |
|
Si .4252 .0936 .25 0.47 |
|
O1 .7670 .0929 .25 0.59 |
|
O2 .2186 .4455 .25 0.54 |
|
O3 .2762 .1627 .0324 0.59 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Olivine |
| |
Ottonello G, Della Giusta A, Molin G M |
|
American Mineralogist 74 (1989) 411-421 |
|
Cation ordering in Ni-Mg olivines |
|
sample Ni.51, heated to 1150 C, then quenched |
|
MgNiSiO4 |
|
_database_code_amcsd 0001222 |
|
4.7431 10.1765 5.9401 90 90 90 Pbnm |
|
atom x y z occ Biso |
|
Mg1 0 0 0 .29 0.51 |
|
Ni1 0 0 0 .71 0.51 |
|
Ni2 .9913 .2751 .25 .32 0.52 |
|
Mg2 .9913 .2751 .25 .68 0.52 |
|
Si .4265 .0936 .25 0.47 |
|
O1 .7685 .0929 .25 0.51 |
|
O2 .2200 .4462 .25 0.56 |
|
O3 .2745 .1626 .0326 0.63 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Olivine |
| |
Ottonello G, Della Giusta A, Molin G M |
|
American Mineralogist 74 (1989) 411-421 |
|
Cation ordering in Ni-Mg olivines |
|
sample Ni.51, heated to 1300 C, then quenched |
|
MgNiSiO4 |
|
_database_code_amcsd 0001223 |
|
4.7398 10.1773 5.9443 90 90 90 Pbnm |
|
atom x y z occ Biso |
|
Ni1 0 0 0 .705 0.64 |
|
Mg1 0 0 0 .295 0.64 |
|
Ni2 .9911 .2752 .25 .294 0.67 |
|
Mg2 .9911 .2752 .25 .706 0.67 |
|
Si .4262 .0936 .25 0.57 |
|
O1 .7669 .0926 .25 0.74 |
|
O2 .2194 .4462 .25 0.66 |
|
O3 .2765 .1622 .0320 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 |
| |
Ottonello G, Della Giusta A, Molin G M |
|
American Mineralogist 74 (1989) 411-421 |
|
Cation ordering in Ni-Mg olivines |
|
sample Ni.63, synthesized at 900 C, then quenched |
|
Mg.634Ni1.363SiO4 |
|
_database_code_amcsd 0001224 |
|
4.7393 10.1620 5.9330 90 90 90 Pbnm |
|
atom x y z occ Biso |
|
Ni1 0 0 0 .87 0.54 |
|
Mg1 0 0 0 .13 0.54 |
|
Ni2 .9912 .2748 .25 .47 0.57 |
|
Mg2 .9912 .2748 .25 .53 0.57 |
|
Si .4259 .0930 .25 0.51 |
|
O1 .7692 .0930 .25 0.62 |
|
O2 .2174 .4454 .25 0.60 |
|
O3 .2760 .1629 .0319 0.73 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Olivine |
| |
Ottonello G, Della Giusta A, Molin G M |
|
American Mineralogist 74 (1989) 411-421 |
|
Cation ordering in Ni-Mg olivines |
|
sample Ni.63, heated to 800 C, then quenched |
|
Mg.634Ni1.363SiO4 |
|
_database_code_amcsd 0001225 |
|
4.7345 10.1623 5.9317 90 90 90 Pbnm |
|
atom x y z occ Biso |
|
Ni1 0 0 0 .88 0.34 |
|
Mg1 0 0 0 .12 0.34 |
|
Ni2 .9917 .2744 .25 .50 0.39 |
|
Mg2 .9917 .2744 .25 .50 0.39 |
|
Si .4266 .0937 .25 0.35 |
|
O1 .7677 .0936 .25 0.37 |
|
O2 .2194 .4455 .25 0.41 |
|
O3 .2735 .1626 .0314 0.41 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Olivine |
| |
Ottonello G, Della Giusta A, Molin G M |
|
American Mineralogist 74 (1989) 411-421 |
|
Cation ordering in Ni-Mg olivines |
|
sample Ni.63, heated to 1150 C, then quenched |
|
Mg.634Ni1.363SiO4 |
|
_database_code_amcsd 0001226 |
|
4.7370 10.1616 5.9337 90 90 90 Pbnm |
|
atom x y z occ Biso |
|
Ni1 0 0 0 .864 0.54 |
|
Mg1 0 0 0 .136 0.54 |
|
Ni2 .9916 .2744 .25 .535 0.56 |
|
Mg2 .9916 .2744 .25 .465 0.56 |
|
Si .4266 .0938 .25 0.50 |
|
O1 .7679 .0931 .25 0.59 |
|
O2 .2178 .4454 .25 0.57 |
|
O3 .2745 .1626 .0312 0.62 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Olivine |
| |
Ottonello G, Della Giusta A, Molin G M |
|
American Mineralogist 74 (1989) 411-421 |
|
Cation ordering in Ni-Mg olivines |
|
sample Ni.75, synthesized at 910 C, then quenched |
|
Mg.505Ni1.492SiO4 |
|
_database_code_amcsd 0001227 |
|
4.7339 10.1583 5.9303 90 90 90 Pbnm |
|
atom x y z occ Biso |
|
Ni1 0 0 0 .95 0.55 |
|
Mg1 0 0 0 .05 0.55 |
|
Ni2 .9919 .2742 .25 .60 0.60 |
|
Mg2 .9919 .2742 .25 .40 0.60 |
|
Si .4266 .0938 .25 0.52 |
|
O1 .7669 .0932 .25 0.58 |
|
O2 .2189 .4451 .25 0.61 |
|
O3 .2744 .1627 .0315 0.58 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Olivine |
| |
Ottonello G, Della Giusta A, Molin G M |
|
American Mineralogist 74 (1989) 411-421 |
|
Cation ordering in Ni-Mg olivines |
|
sample Ni.75, heated to 1150 C, then quenched |
|
Mg.505Ni1.492SiO4 |
|
_database_code_amcsd 0001228 |
|
4.7350 10.1526 5.9278 90 90 90 Pbnm |
|
atom x y z occ Biso |
|
Ni1 0 0 0 .87 0.43 |
|
Mg1 0 0 0 .13 0.43 |
|
Ni2 .9918 .2745 .25 .59 0.45 |
|
Mg2 .9918 .2745 .25 .41 0.45 |
|
Si .4267 .0938 .25 0.46 |
|
O1 .7684 .0929 .25 0.47 |
|
O2 .2198 .4449 .25 0.57 |
|
O3 .2750 .1630 .0319 0.52 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pyroxene |
| |
Molin G M |
|
American Mineralogist 74 (1989) 593-598 |
|
Crystal-chemical study of cation disordering in Al-rich and Al-poor |
|
orthopyroxenes from spinel lherzolite xenoliths |
|
sample Le4A, natural |
|
_database_code_amcsd 0001232 |
|
18.241 8.804 5.198 90 90 90 Pbca |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mg1 .3758 .6540 .8650 .955 0.0083 0.0081 0.0072 .0001 -.0008 .0002 |
|
Fe1 .3758 .6540 .8650 .045 0.0083 0.0081 0.0072 .0001 -.0008 .0002 |
|
Mg2 .3784 .4831 .3584 .833 0.0116 0.0124 0.0090 -.0018 -.0018 -.0005 |
|
Fe2 .3784 .4831 .3584 .167 0.0116 0.0124 0.0090 -.0018 -.0018 -.0005 |
|
SiA .2714 .3417 .0472 0.0069 0.0083 0.0072 -.0007 .0004 -.0002 |
|
SiB .4735 .3372 .8017 0.0074 0.0083 0.0079 .0003 -.0004 .0004 |
|
O1 .1829 .3392 .0352 0.0077 0.0111 0.0098 .0001 .0003 .0004 |
|
O2 .3108 .5033 .0425 0.0109 0.0087 0.0107 -.0012 -.0011 .0008 |
|
O3 .3026 .2251 .8254 0.0093 0.0134 0.0091 -.0005 .0005 -.0037 |
|
O4 .5630 .3381 .8039 0.0078 0.0109 0.0108 .0001 -.0001 .0002 |
|
O5 .4333 .4851 .6913 0.0113 0.0117 0.0112 .0011 .0000 .0019 |
|
O6 .4470 .1951 .6057 0.0092 0.0129 0.0126 .0002 -.0006 -.0043 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pyroxene |
| |
Molin G M |
|
American Mineralogist 74 (1989) 593-598 |
|
Crystal-chemical study of cation disordering in Al-rich and Al-poor |
|
orthopyroxenes from spinel lherzolite xenoliths |
|
sample Le4A, 1050 C, 3 min |
|
_database_code_amcsd 0001233 |
|
18.244 8.805 5.196 90 90 90 Pbca |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mg1 .3758 .6540 .8649 .947 0.0074 0.0084 0.0071 .0000 -.0006 .0002 |
|
Fe1 .3758 .6540 .8649 .053 0.0074 0.0084 0.0071 .0000 -.0006 .0002 |
|
Mg2 .3784 .4832 .3582 .843 0.0111 0.0133 0.0091 -.0017 -.0020 -.0005 |
|
Fe2 .3784 .4832 .3582 .157 0.0111 0.0133 0.0091 -.0017 -.0020 -.0005 |
|
SiA .2714 .3417 .0471 0.0065 0.0085 0.0073 -.0004 .0002 .0001 |
|
SiB .4735 .3372 .8018 0.0066 0.0090 0.0082 .0002 -.0002 .0002 |
|
O1 .1830 .3392 .0347 0.0060 0.0113 0.0111 -.0001 .0003 .0003 |
|
O2 .3106 .5032 .0428 0.0099 0.0088 0.0105 -.0011 -.0010 .0009 |
|
O3 .3026 .2249 .8255 0.0082 0.0137 0.0095 -.0009 -.0005 -.0027 |
|
O4 .5630 .3383 .8039 0.0066 0.0125 0.0107 -.0002 -.0002 .0011 |
|
O5 .4332 .4849 .6911 0.0103 0.0124 0.0111 .0004 -.0004 .0018 |
|
O6 .4470 .1952 .6056 0.0086 0.0135 0.0128 -.0005 -.0002 -.0040 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pyroxene |
| |
Molin G M |
|
American Mineralogist 74 (1989) 593-598 |
|
Crystal-chemical study of cation disordering in Al-rich and Al-poor |
|
orthopyroxenes from spinel lherzolite xenoliths |
|
sample Le4A, 1050 C, 10 min |
|
_database_code_amcsd 0001234 |
|
18.243 8.808 5.197 90 90 90 Pbca |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mg1 .3758 .6540 .8650 .943 0.0078 0.0093 0.0076 .0001 -.0007 .0000 |
|
Fe1 .3758 .6540 .8650 .057 0.0078 0.0093 0.0076 .0001 -.0007 .0000 |
|
Mg2 .3784 .4832 .3582 .842 0.0109 0.0140 0.0093 -.0021 -.0018 -.0004 |
|
Fe2 .3784 .4832 .3582 .158 0.0109 0.0140 0.0093 -.0021 -.0018 -.0004 |
|
SiA .2714 .3417 .0473 0.0064 0.0093 0.0076 -.0005 .0003 -.0004 |
|
SiB .4735 .3372 .8016 0.0068 0.0094 0.0085 .0001 -.0003 .0002 |
|
O1 .1830 .3392 .0348 0.0067 0.0114 0.0108 .0008 .0004 .0003 |
|
O2 .3106 .5033 .0419 0.0106 0.0107 0.0108 -.0009 -.0009 .0003 |
|
O3 .3026 .2249 .8258 0.0093 0.0150 0.0086 -.0003 .0007 -.0020 |
|
O4 .5630 .3384 .8038 0.0079 0.0113 0.0107 -.0002 .0005 .0003 |
|
O5 .4334 .4851 .6914 0.0105 0.0130 0.0120 .0005 -.0005 .0022 |
|
O6 .4470 .1952 .6063 0.0083 0.0148 0.0130 -.0003 -.0005 -.0047 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pyroxene |
| |
Molin G M |
|
American Mineralogist 74 (1989) 593-598 |
|
Crystal-chemical study of cation disordering in Al-rich and Al-poor |
|
orthopyroxenes from spinel lherzolite xenoliths |
|
sample Le4A, 1050 C, 90 min |
|
_database_code_amcsd 0001235 |
|
18.244 8.805 5.196 90 90 90 Pbca |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mg1 .3759 .6539 .8649 .945 0.0091 0.0068 0.0087 .0000 -.0005 .0001 |
|
Fe1 .3759 .6539 .8649 .055 0.0091 0.0068 0.0087 .0000 -.0005 .0001 |
|
Mg2 .3784 .4832 .3582 .845 0.0128 0.0111 0.0104 -.0016 -.0020 -.0002 |
|
Fe2 .3784 .4832 .3582 .155 0.0128 0.0111 0.0104 -.0016 -.0020 -.0002 |
|
SiA .2714 .3417 .0472 0.0078 0.0069 0.0088 -.0008 .0003 -.0002 |
|
SiB .4735 .3373 .8017 0.0080 0.0075 0.0095 .0003 -.0004 .0003 |
|
O1 .1830 .3395 .0352 0.0084 0.0094 0.0127 -.0003 -.0002 -.0003 |
|
O2 .3108 .5032 .0425 0.0123 0.0070 0.0123 -.0018 -.0004 -.0005 |
|
O3 .3026 .2248 .8256 0.0103 0.0109 0.0102 .0000 .0001 -.0030 |
|
O4 .5630 .3383 .8036 0.0084 0.0101 0.0121 -.0008 .0003 .0008 |
|
O5 .4332 .4847 .6908 0.0121 0.0106 0.0126 .0011 .0000 .0025 |
|
O6 .4471 .1953 .6052 0.0099 0.0113 0.0143 .0006 -.0005 -.0039 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pyroxene |
| |
Molin G M |
|
American Mineralogist 74 (1989) 593-598 |
|
Crystal-chemical study of cation disordering in Al-rich and Al-poor |
|
orthopyroxenes from spinel lherzolite xenoliths |
|
sample Le4A, 1150 C, 2 min |
|
_database_code_amcsd 0001236 |
|
18.246 8.809 5.197 90 90 90 Pbca |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mg1 .3758 .6539 .8649 .940 0.0080 0.0092 0.0079 .0002 -.0006 .0001 |
|
Fe1 .3758 .6539 .8649 .060 0.0080 0.0092 0.0079 .0002 -.0006 .0001 |
|
Mg2 .3784 .4832 .3583 .847 0.0115 0.0134 0.0096 -.0017 -.0018 -.0003 |
|
Fe2 .3784 .4832 .3583 .153 0.0115 0.0134 0.0096 -.0017 -.0018 -.0003 |
|
SiA .2714 .3417 .0472 0.0069 0.0090 0.0076 -.0004 .0001 .0000 |
|
SiB .4735 .3372 .8016 0.0071 0.0090 0.0085 .0001 -.0002 .0002 |
|
O1 .1830 .3393 .0349 0.0074 0.0120 0.0111 .0004 -.0001 -.0002 |
|
O2 .3107 .5030 .0425 0.0107 0.0104 0.0111 -.0012 -.0006 .0004 |
|
O3 .3026 .2250 .8259 0.0097 0.0140 0.0094 -.0005 .0007 -.0028 |
|
O4 .5630 .3386 .8035 0.0082 0.0113 0.0108 -.0004 -.0008 .0006 |
|
O5 .4334 .4851 .6910 0.0111 0.0132 0.0118 .0017 .0000 .0022 |
|
O6 .4470 .1949 .6062 0.0092 0.0132 0.0136 .0000 -.0001 -.0038 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pyroxene |
| |
Molin G M |
|
American Mineralogist 74 (1989) 593-598 |
|
Crystal-chemical study of cation disordering in Al-rich and Al-poor |
|
orthopyroxenes from spinel lherzolite xenoliths |
|
sample Le4A, 1150 C, 10 min |
|
_database_code_amcsd 0001237 |
|
18.242 8.803 5.198 90 90 90 Pbca |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mg1 .3758 .6540 .8651 .941 0.0090 0.0071 0.0098 .0004 -.0003 .0001 |
|
Fe1 .3758 .6540 .8651 .059 0.0090 0.0071 0.0098 .0004 -.0003 .0001 |
|
Mg2 .3784 .4831 .3582 .846 0.0126 0.0111 0.0112 -.0018 -.0019 -.0002 |
|
Fe2 .3784 .4831 .3582 .154 0.0126 0.0111 0.0112 -.0018 -.0019 -.0002 |
|
SiA .2714 .3417 .0473 0.0080 0.0068 0.0096 -.0005 .0003 -.0001 |
|
SiB .4735 .3372 .8015 0.0079 0.0075 0.0105 -.0001 -.0006 .0005 |
|
O1 .1830 .3392 .0354 0.0077 0.0101 0.0125 .0005 .0004 .0002 |
|
O2 .3107 .5031 .0426 0.0122 0.0076 0.0138 -.0013 -.0004 -.0002 |
|
O3 .3026 .2249 .8256 0.0109 0.0103 0.0108 -.0008 .0008 -.0025 |
|
O4 .5630 .3384 .8033 0.0090 0.0098 0.0127 -.0001 .0003 .0003 |
|
O5 .4331 .4849 .6908 0.0124 0.0109 0.0124 .0013 -.0008 .0025 |
|
O6 .4470 .1952 .6049 0.0109 0.0121 0.0142 -.0001 -.0003 -.0048 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pyroxene |
| |
Molin G M |
|
American Mineralogist 74 (1989) 593-598 |
|
Crystal-chemical study of cation disordering in Al-rich and Al-poor |
|
orthopyroxenes from spinel lherzolite xenoliths |
|
sample Le9A, natural |
|
_database_code_amcsd 0001238 |
|
18.246 8.828 5.189 90 90 90 Pbca |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mg1 .3758 .6541 .8666 .972 0.0079 0.0086 0.0065 -.0002 -.0005 .0000 |
|
Fe1 .3758 .6541 .8666 .028 0.0079 0.0086 0.0065 -.0002 -.0005 .0000 |
|
Mg2 .3775 .4849 .3601 .858 0.0109 0.0112 0.0081 -.0011 -.0015 .0003 |
|
Fe2 .3775 .4849 .3601 .142 0.0109 0.0112 0.0081 -.0011 -.0015 .0003 |
|
SiA .2715 .3415 .0496 0.0066 0.0079 0.0065 -.0005 .0002 -.0002 |
|
SiB .4736 .3371 .7988 0.0068 0.0077 0.0067 .0003 -.0004 -.0001 |
|
O1 .1833 .3397 .0360 0.0066 0.0095 0.0082 -.0005 .0007 .0000 |
|
O2 .3110 .5024 .0447 0.0101 0.0076 0.0078 -.0016 -.0010 .0005 |
|
O3 .3028 .2243 .8287 0.0085 0.0110 0.0081 .0003 .0001 -.0024 |
|
O4 .5625 .3393 .8006 0.0064 0.0096 0.0081 -.0003 -.0010 .0007 |
|
O5 .4331 .4836 .6907 0.0099 0.0105 0.0089 .0020 -.0002 .0002 |
|
O6 .4476 .1961 .6031 0.0084 0.0115 0.0083 .0002 .0005 -.0024 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pyroxene |
| |
Molin G M |
|
American Mineralogist 74 (1989) 593-598 |
|
Crystal-chemical study of cation disordering in Al-rich and Al-poor |
|
orthopyroxenes from spinel lherzolite xenoliths |
|
sample Le9A, 1050 C, 3 min |
|
_database_code_amcsd 0001239 |
|
18.250 8.830 5.190 90 90 90 Pbca |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mg1 .3758 .6541 .8665 .962 0.0074 0.0085 0.0075 -.0003 -.0004 .0003 |
|
Fe1 .3758 .6541 .8665 .038 0.0074 0.0085 0.0075 -.0003 -.0004 .0003 |
|
Mg2 .3775 .4851 .3597 .870 0.0104 0.0113 0.0085 -.0014 -.0018 .0000 |
|
Fe2 .3775 .4851 .3597 .130 0.0104 0.0113 0.0085 -.0014 -.0018 .0000 |
|
SiA .2715 .3414 .0494 0.0064 0.0076 0.0067 -.0003 .0002 .0000 |
|
SiB .4736 .3372 .7989 0.0066 0.0076 0.0072 .0003 -.0003 .0001 |
|
O1 .1833 .3395 .0359 0.0048 0.0102 0.0090 .0001 .0005 .0007 |
|
O2 .3109 .5022 .0440 0.0092 0.0091 0.0094 -.0012 -.0006 -.0003 |
|
O3 .3028 .2244 .8289 0.0073 0.0120 0.0088 .0001 -.0007 -.0019 |
|
O4 .5625 .3394 .8000 0.0063 0.0106 0.0087 -.0004 .0002 -.0001 |
|
O5 .4331 .4838 .6908 0.0094 0.0100 0.0093 .0015 -.0007 .0010 |
|
O6 .4473 .1959 .6029 0.0081 0.0115 0.0085 -.0004 -.0001 -.0023 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pyroxene |
| |
Molin G M |
|
American Mineralogist 74 (1989) 593-598 |
|
Crystal-chemical study of cation disordering in Al-rich and Al-poor |
|
orthopyroxenes from spinel lherzolite xenoliths |
|
sample Le9A, 1050 C, 10 min |
|
_database_code_amcsd 0001240 |
|
18.250 8.829 5.191 90 90 90 Pbca |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mg1 .3759 .6540 .8666 .961 0.0080 0.0080 0.0072 -.0001 -.0005 .0003 |
|
Fe1 .3759 .6540 .8666 .039 0.0080 0.0080 0.0072 -.0001 -.0005 .0003 |
|
Mg2 .3775 .4850 .3598 .868 0.0107 0.0111 0.0085 -.0014 -.0016 -.0002 |
|
Fe2 .3775 .4850 .3598 .132 0.0107 0.0111 0.0085 -.0014 -.0016 -.0002 |
|
SiA .2716 .3415 .0496 0.0061 0.0077 0.0064 -.0007 -.0001 -.0001 |
|
SiB .4736 .3371 .7989 0.0069 0.0075 0.0068 .0001 -.0003 .0001 |
|
O1 .1834 .3396 .0358 0.0059 0.0094 0.0089 -.0001 .0000 -.0005 |
|
O2 .3109 .5020 .0442 0.0101 0.0079 0.0097 -.0018 -.0009 .0008 |
|
O3 .3029 .2245 .8289 0.0079 0.0118 0.0075 .0000 .0000 -.0020 |
|
O4 .5625 .3395 .8001 0.0058 0.0093 0.0090 .0002 .0002 .0006 |
|
O5 .4331 .4837 .6904 0.0096 0.0100 0.0089 .0016 -.0006 .0009 |
|
O6 .4474 .1958 .6031 0.0083 0.0110 0.0086 -.0003 -.0003 -.0019 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pyroxene |
| |
Molin G M |
|
American Mineralogist 74 (1989) 593-598 |
|
Crystal-chemical study of cation disordering in Al-rich and Al-poor |
|
orthopyroxenes from spinel lherzolite xenoliths |
|
sample Le9A, 1050 C, 90 min |
|
_database_code_amcsd 0001241 |
|
18.248 8.831 5.189 90 90 90 Pbca |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mg1 .3758 .6540 .8665 .960 0.0080 0.0081 0.0076 .0001 -.0007 .0000 |
|
Fe1 .3758 .6540 .8665 .040 0.0080 0.0081 0.0076 .0001 -.0007 .0000 |
|
Mg2 .3775 .4850 .3598 .869 0.0106 0.0111 0.0089 -.0016 -.0019 .0000 |
|
Fe2 .3775 .4850 .3598 .131 0.0106 0.0111 0.0089 -.0016 -.0019 .0000 |
|
SiA .2716 .3415 .0496 0.0064 0.0077 0.0069 -.0005 .0003 -.0001 |
|
SiB .4736 .3372 .7987 0.0063 0.0077 0.0073 .0004 -.0005 .0001 |
|
O1 .1834 .3397 .0359 0.0065 0.0099 0.0080 .0001 .0000 -.0002 |
|
O2 .3109 .5022 .0441 0.0092 0.0083 0.0097 -.0020 -.0009 .0008 |
|
O3 .3028 .2245 .8292 0.0075 0.0119 0.0083 .0007 -.0006 -.0018 |
|
O4 .5625 .3393 .8005 0.0065 0.0099 0.0090 -.0003 -.0002 .0002 |
|
O5 .4330 .4837 .6903 0.0103 0.0098 0.0102 .0013 -.0005 .0014 |
|
O6 .4473 .1959 .6031 0.0093 0.0104 0.0089 -.0001 -.0002 -.0021 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pyroxene |
| |
Molin G M |
|
American Mineralogist 74 (1989) 593-598 |
|
Crystal-chemical study of cation disordering in Al-rich and Al-poor |
|
orthopyroxenes from spinel lherzolite xenoliths |
|
sample Le9A, 1150 C, 2 min |
|
_database_code_amcsd 0001242 |
|
18.248 8.832 5.192 90 90 90 Pbca |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mg1 .3758 .6540 .8666 .957 0.0079 0.0085 0.0074 .0001 -.0007 .0001 |
|
Fe1 .3758 .6540 .8666 .043 0.0079 0.0085 0.0074 .0001 -.0007 .0001 |
|
Mg2 .3775 .4851 .3601 .868 0.0107 0.0117 0.0087 -.0013 -.0022 .0000 |
|
Fe2 .3775 .4851 .3601 .132 0.0107 0.0117 0.0087 -.0013 -.0022 .0000 |
|
SiA .2716 .3414 .0496 0.0063 0.0079 0.0066 -.0006 .0003 -.0001 |
|
SiB .4736 .3372 .7988 0.0065 0.0084 0.0071 .0004 -.0002 .0000 |
|
O1 .1833 .3396 .0354 0.0058 0.0102 0.0089 .0001 .0006 .0005 |
|
O2 .3109 .5022 .0442 0.0095 0.0086 0.0098 -.0012 -.0007 .0002 |
|
O3 .3029 .2244 .8286 0.0079 0.0123 0.0073 .0005 -.0006 -.0024 |
|
O4 .5625 .3396 .8006 0.0064 0.0101 0.0090 -.0003 .0006 -.0001 |
|
O5 .4331 .4836 .6904 0.0095 0.0098 0.0092 .0012 -.0008 .0000 |
|
O6 .4473 .1959 .6028 0.0084 0.0119 0.0091 -.0009 .0007 -.0016 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pyroxene |
| |
Molin G M |
|
American Mineralogist 74 (1989) 593-598 |
|
Crystal-chemical study of cation disordering in Al-rich and Al-poor |
|
orthopyroxenes from spinel lherzolite xenoliths |
|
sample Le9A, 1150 C, 10 min |
|
_database_code_amcsd 0001243 |
|
18.243 8.834 5.190 90 90 90 Pbca |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mg1 .3758 .6540 .8666 .960 0.0080 0.0083 0.0070 .0000 -.0007 .0003 |
|
Fe1 .3758 .6540 .8666 .040 0.0080 0.0083 0.0070 .0000 -.0007 .0003 |
|
Mg2 .3775 .4850 .3600 .869 0.0110 0.0112 0.0085 -.0016 -.0020 .0002 |
|
Fe2 .3775 .4850 .3600 .131 0.0110 0.0112 0.0085 -.0016 -.0020 .0002 |
|
SiA .2716 .3415 .0497 0.0063 0.0081 0.0067 -.0006 .0003 -.0002 |
|
SiB .4736 .3372 .7986 0.0062 0.0080 0.0070 -.0001 -.0003 .0000 |
|
O1 .1833 .3395 .0358 0.0061 0.0098 0.0087 .0003 .0011 -.0005 |
|
O2 .3109 .5022 .0444 0.0095 0.0088 0.0094 -.0014 -.0013 .0008 |
|
O3 .3029 .2244 .8289 0.0085 0.0117 0.0069 -.0004 .0001 -.0020 |
|
O4 .5624 .3395 .8006 0.0064 0.0099 0.0084 -.0004 .0000 .0008 |
|
O5 .4331 .4835 .6905 0.0089 0.0106 0.0089 .0015 .0001 .0011 |
|
O6 .4475 .1962 .6029 0.0078 0.0110 0.0091 -.0003 -.0001 -.0024 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
 |
Domeneghetti M C, Molin G M, Stimpfl M, Tribaudino M |
|
American Mineralogist 80 (1995) 923-929 |
|
Orthopyroxene from the Serra de Mage meteorite: Structure refinement and |
|
estimation of C2/c pyroxene contributions to apparent Pbca diffraction |
|
violations |
|
Sample: OPX SDM N.13, natural |
|
_database_code_amcsd 0001755 |
|
18.316 8.907 5.218 90 90 90 Pbca |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Sia .27149 .34060 .05180 .00044 .00135 .00294 -.00013 -.00001 -.00008 |
|
Sib .47403 .33660 .79535 .00047 .00154 .00219 .00014 .00009 .00001 |
|
Mg1 .37540 .65459 .87426 .896 .00056 .00177 .00263 .00000 -.00015 .00015 |
|
Fe1 .37540 .65459 .87426 .104 .00056 .00177 .00263 .00000 -.00015 .00015 |
|
Fe2 .37797 .48308 .36794 .703 .00062 .00245 .00259 -.00012 -.00048 -.00008 |
|
Mg2 .37797 .48308 .36794 .254 .00062 .00245 .00259 -.00012 -.00048 -.00008 |
|
Ca2 .37797 .48308 .36794 .043 .00062 .00245 .00259 -.00012 -.00048 -.00008 |
|
O1a .18355 .33731 .04361 .00046 .00239 .00322 -.00010 .00033 .00016 |
|
O1b .56266 .33632 .79552 .00042 .00255 .00364 .00011 -.00036 .00031 |
|
O2a .31117 .50053 .05332 .00069 .00192 .00466 -.00020 -.00058 .00004 |
|
O2b .43402 .48555 .69789 .00070 .00249 .00455 .00032 -.00019 .00076 |
|
O3a .30233 .23184 -.17642 .00060 .00273 .00635 .00001 .00036 -.00239 |
|
O3b .44739 .20280 .59356 .00062 .00280 .00649 -.00003 -.00014 -.00234 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Domeneghetti M C, Molin G M, Stimpfl M, Tribaudino M |
|
American Mineralogist 80 (1995) 923-929 |
|
Orthopyroxene from the Serra de Mage meteorite: Structure refinement and |
|
estimation of C2/c pyroxene contributions to apparent Pbca diffraction |
|
violations |
|
Sample: OPX SDM N.7, heated |
|
_database_code_amcsd 0001756 |
|
18.320 8.917 5.219 90 90 90 Pbca |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Sia .27178 .34044 .05067 .00035 .00100 .00544 -.00020 -.00014 .00006 |
|
Sib .47383 .33640 .79521 .00044 .00132 .00450 .00021 .00028 .00020 |
|
Fe1 .37558 .65406 .87255 .232 .00044 .00145 .00435 -.00003 .00008 .00008 |
|
Mg1 .37558 .65406 .87255 .768 .00044 .00145 .00435 -.00003 .00008 .00008 |
|
Fe2 .37776 .48319 .36681 .570 .00057 .00271 .00439 -.00010 -.00033 -.00006 |
|
Mg2 .37776 .48319 .36681 .387 .00057 .00271 .00439 -.00010 -.00033 -.00006 |
|
Ca2 .37776 .48319 .36681 .043 .00057 .00271 .00439 -.00010 -.00033 -.00006 |
|
O1a .18414 .33775 .03730 .00031 .00196 .00475 -.00008 -.00009 .00090 |
|
O1b .56235 .33755 .79219 .00021 .00280 .00449 .00011 -.00009 .00101 |
|
O2a .31098 .49976 .04844 .00038 .00262 .00658 -.00036 -.00045 .00053 |
|
O2b .43401 .48420 .69768 .00054 .00341 .00609 .00020 -.00002 .00020 |
|
O3a .30222 .23043 -.17242 .00060 .00300 .00629 -.00038 .00063 -.00173 |
|
O3b .44755 .20209 .59672 .00067 .00262 .00584 .00005 -.00002 -.00273 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Orthopyroxene |
| |
Domeneghetti M C, Tazzoli V, Ballaran T B, Molin G M |
|
American Mineralogist 81 (1996) 842-846 |
|
Orthopyroxene from the Serra de Mage meteorite: A structure-refinement procedure |
|
for a Pbca phase coexisting with a C2/c exsolved phase |
|
Sample Opx SDM N.13, natural |
|
_database_code_amcsd 0001805 |
|
18.316 8.907 5.218 90 90 90 Pbca |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
SiA .22851 .65945 .5520 .993 .0066 .0063 .0034 -.0006 -.0004 .0003 |
|
AlA .22851 .65945 .5520 .014 .0066 .0063 .0034 -.0006 -.0004 .0003 |
|
SiB .47401 .33650 .7950 .993 .0064 .0058 .0031 .0002 -.0004 -.0001 |
|
AlB .47401 .33650 .7950 .014 .0064 .0058 .0031 .0002 -.0004 -.0001 |
|
O1A .3161 .8380 .0440 .0077 .0086 .0043 -.0002 .0003 .0001 |
|
O1B .5625 .3370 .7957 .0057 .0088 .0045 -.0001 -.0018 .0011 |
|
O2A .3111 .5003 .0539 .0098 .0081 .0067 -.0016 -.0028 .0004 |
|
O2B .4341 .4852 .6976 .0112 .0087 .0071 .0017 .0004 .0017 |
|
O3A .1976 .7686 .3243 .0096 .0124 .0061 .0016 -.0003 .0035 |
|
O3B .4473 .2022 .5935 .0105 .0113 .0067 -.0006 -.0006 -.0030 |
|
Mg1 .37537 .65467 .8743 .897 .0084 .0071 .0035 -.0001 -.0006 .0003 |
|
Fe1 .37537 .65467 .8743 .091 .0084 .0071 .0035 -.0001 -.0006 .0003 |
|
Mn1 .37537 .65467 .8743 .003 .0084 .0071 .0035 -.0001 -.0006 .0003 |
|
Cr1 .37537 .65467 .8743 .004 .0084 .0071 .0035 -.0001 -.0006 .0003 |
|
Ti1 .37537 .65467 .8743 .005 .0084 .0071 .0035 -.0001 -.0006 .0003 |
|
Mg2 .37799 .48326 .36791 .237 .0103 .0096 .0042 -.0012 -.0022 .0000 |
|
Fe2 .37799 .48326 .36791 .704 .0103 .0096 .0042 -.0012 -.0022 .0000 |
|
Mn2 .37799 .48326 .36791 .023 .0103 .0096 .0042 -.0012 -.0022 .0000 |
|
Ca2 .37799 .48326 .36791 .036 .0103 .0096 .0042 -.0012 -.0022 .0000 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Orthopyroxene |
| |
Domeneghetti M C, Tazzoli V, Ballaran T B, Molin G M |
|
American Mineralogist 81 (1996) 842-846 |
|
Orthopyroxene from the Serra de Mage meteorite: A structure-refinement |
|
procedure for a Pbca phase coexisting with a C2/c exsolved phase |
|
Sample Opx SDM N.7, heated |
|
_database_code_amcsd 0001806 |
|
18.320 8.917 5.219 90 90 90 Pbca |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
SiA .22838 .65955 .5514 .993 .0051 .0056 .0041 -.0007 -.0008 .0001 |
|
AlA .22838 .65955 .5514 .014 .0051 .0056 .0041 -.0007 -.0008 .0001 |
|
SiB .47386 .33637 .7946 .993 .0050 .0049 .0043 .0006 -.0001 .0004 |
|
AlB .47386 .33637 .7946 .014 .0050 .0049 .0043 .0006 -.0001 .0004 |
|
O1A .31602 .8387 .0412 .0064 .0078 .0063 .0001 .0001 -.0001 |
|
O1B .56216 .3379 .7951 .0047 .0087 .0068 -.0001 -.0007 .0003 |
|
O2A .31132 .4996 .0517 .0092 .0076 .0074 -.0017 -.0012 .0020 |
|
O2B .43368 .4840 .6951 .0084 .0090 .0077 .0011 -.0007 .0014 |
|
O3A .19772 .7698 .3246 .0077 .0114 .0074 -.0004 -.0012 .0035 |
|
O3B .44762 .2012 .5940 .0084 .0102 .0075 -.0009 -.0010 -.0030 |
|
Mg1 .37563 .65440 .8726 .764 .0069 .0061 .0052 -.0002 -.0009 .0002 |
|
Fe1 .37563 .65440 .8726 .220 .0069 .0061 .0052 -.0002 -.0009 .0002 |
|
Mn1 .37563 .65440 .8726 .007 .0069 .0061 .0052 -.0002 -.0009 .0002 |
|
Cr1 .37563 .65440 .8726 .004 .0069 .0061 .0052 -.0002 -.0009 .0002 |
|
Ti1 .37563 .65440 .8726 .005 .0069 .0061 .0052 -.0002 -.0009 .0002 |
|
Mg2 .37780 .48378 .36644 .364 .0091 .0096 .0068 -.0011 -.0025 -.0002 |
|
Fe2 .37780 .48378 .36644 .581 .0091 .0096 .0068 -.0011 -.0025 -.0002 |
|
Mn2 .37780 .48378 .36644 .019 .0091 .0096 .0068 -.0011 -.0025 -.0002 |
|
Ca2 .37780 .48378 .36644 .036 .0091 .0096 .0068 -.0011 -.0025 -.0002 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Prehnite |
|
Balic-Zunic T, Scavnicar S, Molin G |
| |
European Journal of Mineralogy 2 (1990) 731-734 |
|
Crystal structure of prehnite from Komiza |
|
Locality: Komiza |
|
_database_code_amcsd 0006388 |
|
4.646 5.491 18.52 90 90 90 P2cm |
|
atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca 0 .7601 .1507 1.9 .0290 .0132 .0291 .0004 0 .0010 |
|
Si1 .799 .5 0 1.6 .0250 .0090 .0260 0 0 .0010 |
|
Si2 .490 .2509 .1302 1.6 .0225 .0109 .0281 .0005 .0030 0 |
|
Al1 .179 0 0 1.7 .0230 .0100 .0310 0 0 .0010 |
|
Al2 -.002 .2628 .25 .83 1.8 .0230 .0120 .0320 -.0030 0 0 |
|
Fe2 -.002 .2628 .25 .17 1.8 .0230 .0120 .0320 -.0030 0 0 |
|
O1 -.018 .739 .0196 2.1 .0310 .0150 .0320 0 -.0040 0 |
|
O2 .611 .459 .0730 2.6 .0330 .0180 .0470 .0020 -.0010 0 |
|
O3 .350 .032 .0825 1.4 .0160 .0130 .0230 -.0010 -.0050 -.0030 |
|
O4 .245 .392 .1758 1.3 .0170 .0160 .0160 .0030 .0060 .0010 |
|
O5 .745 .130 .1766 2.7 .0400 .0090 .0550 0 .0070 -.0040 |
|
OH1 .206 .960 .25 2.0 .0350 .0180 .0220 -.0040 0 0 |
|
OH2 .790 .565 .25 1.7 .0220 .0020 .0410 .0030 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Diopside |
|
Tribaudino M, Molin G M, Bruno E |
| |
European Journal of Mineralogy 6 (1994) 77-86 |
|
Effect of Al on enstatite solubility in CMAS clinopyroxenes: |
|
2 - Crystal chemical considerations |
|
Sample: Di75En10CaTs15 |
|
_database_code_amcsd 0006528 |
|
9.707 8.863 5.267 90 106.27 90 C2/c |
|
atom x y z occ Biso |
|
CaM2 0 .3011 .25 .45 1.16 |
|
MgM2 0 .3011 .25 .05 1.16 |
|
MgM1 0 .9079 .25 .86 .81 |
|
AlM1 0 .9079 .25 .14 .81 |
|
AlT .2875 .0934 .2294 .075 .78 |
|
SiT .2875 .0934 .2294 .925 .78 |
|
O1 .1143 .0866 .1390 .98 |
|
O2 .3627 .2523 .3212 1.19 |
|
O3 .3518 .0184 .9947 1.03 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Diopside |
|
Tribaudino M, Molin G M, Bruno E |
| |
European Journal of Mineralogy 6 (1994) 77-86 |
|
Effect of Al on enstatite solubility in CMAS clinopyroxenes: |
|
2 - Crystal chemical considerations |
|
Sample: Di75En10CaTs15, split M2 atom model |
|
_database_code_amcsd 0006529 |
|
9.707 8.863 5.267 90 106.27 90 C2/c |
|
atom x y z occ Biso |
|
CaM2 0 .3021 .25 .5 1.02 |
|
MgM2' 0 .2620 .25 .1 2.71 |
|
CaM2' 0 .2620 .25 .4 2.71 |
|
MgM1 0 .9079 .25 .86 .81 |
|
AlM1 0 .9079 .25 .14 .81 |
|
AlT .2875 .0934 .2294 .075 .78 |
|
SiT .2875 .0934 .2294 .925 .78 |
|
O1 .1143 .0866 .1390 .98 |
|
O2 .3627 .2523 .3212 1.19 |
|
O3 .3518 .0184 .9947 1.03 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Diopside |
|
Tribaudino M, Molin G M, Bruno E |
| |
European Journal of Mineralogy 6 (1994) 77-86 |
|
Effect of Al on enstatite solubility in CMAS clinopyroxenes: |
|
2 - Crystal chemical considerations |
|
Sample: Di65En20CaTs15 |
|
_database_code_amcsd 0006530 |
|
9.700 8.861 5.258 90 106.47 90 C2/c |
|
atom x y z occ Biso |
|
CaM2 0 .2990 .25 .8 1.19 |
|
MgM2 0 .2990 .25 .2 1.19 |
|
MgM1 0 .9075 .25 .83 .62 |
|
AlM1 0 .9075 .25 .17 .62 |
|
AlT .2884 .0932 .2322 .075 .69 |
|
SiT .2884 .0932 .2322 .925 .69 |
|
O1 .1148 .0870 .1398 .88 |
|
O2 .3637 .2518 .3253 1.17 |
|
O3 .3517 .0194 .9968 1.02 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Diopside |
|
Tribaudino M, Molin G M, Bruno E |
| |
European Journal of Mineralogy 6 (1994) 77-86 |
|
Effect of Al on enstatite solubility in CMAS clinopyroxenes: |
|
2 - Crystal chemical considerations |
|
Sample: Di65En20CaTs15, split M2 model |
|
_database_code_amcsd 0006531 |
|
9.700 8.861 5.258 90 106.47 90 C2/c |
|
atom x y z occ Biso |
|
CaM2 0 .3013 .25 .5 .89 |
|
CaM2' 0 .2623 .25 .3 2.53 |
|
MgM2' 0 .2623 .25 .2 2.53 |
|
MgM1 0 .9075 .25 .83 .62 |
|
AlM1 0 .9075 .25 .17 .62 |
|
AlT .2884 .0932 .2322 .075 .69 |
|
SiT .2884 .0932 .2322 .925 .69 |
|
O1 .1148 .0870 .1398 .88 |
|
O2 .3637 .2518 .3253 1.17 |
|
O3 .3517 .0194 .9968 1.02 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Diopside |
|
Tribaudino M, Molin G M, Bruno E |
| |
European Journal of Mineralogy 6 (1994) 77-86 |
|
Effect of Al on enstatite solubility in CMAS clinopyroxenes: |
|
2 - Crystal chemical considerations |
|
Sample: Di70CaTs30 |
|
_database_code_amcsd 0006532 |
|
9.687 8.832 5.268 90 106.18 90 C2/c |
|
atom x y z occ Biso |
|
CaM2 0 .3034 .25 .81 |
|
MgM1 0 .9084 .25 .7 .50 |
|
AlM1 0 .9084 .25 .3 .50 |
|
AlT .2871 .0939 .2258 .15 .40 |
|
SiT .2871 .0939 .2258 .85 .40 |
|
O1 .1124 .0857 .1358 .77 |
|
O2 .3622 .2551 .3176 .91 |
|
O3 .3526 .0182 .9923 .71 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Diopside |
|
Nazzareni S, Molin G, Skogby H, Dal Negro A |
| |
European Journal of Mineralogy 16 (2004) 443-449 |
|
Crystal chemistry of Ti3+-Ti4+-bearing synthetic diopsides |
|
Sample: Di64 |
|
_database_code_amcsd 0007068 |
|
9.748 8.926 5.264 90 105.89 90 C2/c |
|
atom x y z occ Uiso |
|
Ca2 0 .30176 .25 .916 .0114 |
|
Na2 0 .30176 .25 .066 .0114 |
|
Mg1 0 .90721 .25 .926 .0080 |
|
Ti3+1 0 .90721 .25 .074 .0080 |
|
Si .28657 .09297 .22994 .980 .0068 |
|
B .28657 .09297 .22994 .009 .0068 |
|
Ti4+ .28657 .09297 .22994 .006 .0068 |
|
O1 .11589 .08672 .1426 .0086 |
|
O2 .36110 .25001 .3175 .0105 |
|
O3 .35070 .0171 .9968 .0096 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Diopside |
|
Nazzareni S, Molin G, Skogby H, Dal Negro A |
| |
European Journal of Mineralogy 16 (2004) 443-449 |
|
Crystal chemistry of Ti3+-Ti4+-bearing synthetic diopsides |
|
Sample: Di80 |
|
_database_code_amcsd 0007069 |
|
9.756 8.929 5.269 90 106.06 90 C2/c |
|
atom x y z occ Uiso |
|
Ca2 0 .30201 .25 .820 .0133 |
|
Na2 0 .30201 .25 .168 .0133 |
|
Mg1 0 .90592 .25 .846 .0085 |
|
Ti4+1 0 .90592 .25 .118 .0085 |
|
Ti3+1 0 .90592 .25 .058 .0085 |
|
Si .28730 .09269 .23103 .941 .0077 |
|
Ti4+ .28730 .09269 .23103 .048 .0077 |
|
B .28730 .09269 .23103 .011 .0077 |
|
O1 .1156 .0861 .1422 .0089 |
|
O2 .3610 .2505 .3167 .0116 |
|
O3 .3508 .0160 .9990 .0104 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Diopside |
|
Nazzareni S, Molin G, Skogby H, Dal Negro A |
| |
European Journal of Mineralogy 16 (2004) 443-449 |
|
Crystal chemistry of Ti3+-Ti4+-bearing synthetic diopsides |
|
Sample: Di81a |
|
_database_code_amcsd 0007070 |
|
9.747 8.922 5.278 90 106.10 90 C2/c |
|
atom x y z occ Uiso |
|
Ca2 0 .30170 .25 .872 .0108 |
|
Na2 0 .30170 .25 .118 .0108 |
|
Mg1 0 .90647 .25 .906 .0069 |
|
Ti3+1 0 .90647 .25 .078 .0069 |
|
Ti4+1 0 .90647 .25 .022 .0069 |
|
Si .28686 .09291 .23000 .970 .0060 |
|
Ti4+ .28686 .09291 .23000 .019 .0060 |
|
B .28686 .09291 .23000 .014 .0060 |
|
O1 .11546 .0863 .1420 .0072 |
|
O2 .36119 .2505 .3168 .0096 |
|
O3 .35071 .0168 .9974 .0090 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Diopside |
|
Nazzareni S, Molin G, Skogby H, Dal Negro A |
| |
European Journal of Mineralogy 16 (2004) 443-449 |
|
Crystal chemistry of Ti3+-Ti4+-bearing synthetic diopsides |
|
Sample: Di72 |
|
_database_code_amcsd 0007071 |
|
9.748 8.926 5.281 90 106.09 90 C2/c |
|
atom x y z occ Uiso |
|
Ca2 0 .30230 .25 .784 .0152 |
|
Na2 0 .30230 .25 .190 .0152 |
|
Mg1 0 .90563 .25 .850 .0100 |
|
Ti3+1 0 .90563 .25 .104 .0100 |
|
Ti4+1 0 .90563 .25 .086 .0100 |
|
Si .28740 .09251 .23090 .946 .0092 |
|
Ti4+ .28740 .09251 .23090 .032 .0092 |
|
B .28740 .09251 .23090 .022 .0092 |
|
O1 .1159 .0854 .1422 .0108 |
|
O2 .3609 .2509 .3151 .0130 |
|
O3 .3509 .0157 .9992 .0126 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Diopside |
|
Nazzareni S, Molin G, Skogby H, Dal Negro A |
| |
European Journal of Mineralogy 16 (2004) 443-449 |
|
Crystal chemistry of Ti3+-Ti4+-bearing synthetic diopsides |
|
Sample: Di73 |
|
_database_code_amcsd 0007072 |
|
9.765 8.929 5.284 90 106.19 90 C2/c |
|
atom x y z occ Uiso |
|
Ca2 0 .30145 .25 .836 .0138 |
|
Na2 0 .30145 .25 .140 .0138 |
|
Mg1 0 .90640 .25 .892 .0097 |
|
Ti3+1 0 .90640 .25 .062 .0097 |
|
Ti4+1 0 .90640 .25 .056 .0097 |
|
Si .28714 .09287 .23021 .944 .0087 |
|
Ti4+ .28714 .09287 .23021 .044 .0087 |
|
B .28714 .09287 .23021 .012 .0087 |
|
O1 .1156 .0867 .1418 .0103 |
|
O2 .3613 .2511 .3173 .0132 |
|
O3 .3510 .0166 .9981 .0127 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Diopside |
|
Nazzareni S, Molin G, Skogby H, Dal Negro A |
| |
European Journal of Mineralogy 16 (2004) 443-449 |
|
Crystal chemistry of Ti3+-Ti4+-bearing synthetic diopsides |
|
Sample: Di73* |
|
_database_code_amcsd 0007073 |
|
9.765 8.929 5.284 90 106.19 90 C2/c |
|
atom x y z occ Uiso |
|
Ca2 0 .30145 .25 .844 .0139 |
|
Na2 0 .30145 .25 .128 .0139 |
|
Mg1 0 .90640 .25 .922 .0095 |
|
Ti3+1 0 .90640 .25 .056 .0095 |
|
Ti4+1 0 .90640 .25 .044 .0095 |
|
Si .28714 .09287 .23022 .944 .0087 |
|
Ti4+ .28714 .09287 .23022 .044 .0087 |
|
B .28714 .09287 .23022 .012 .0087 |
|
O1 .1156 .0867 .1418 .0103 |
|
O2 .3613 .2511 .3173 .0132 |
|
O3 .3511 .0166 .9981 .0127 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Gatta G D, Rinaldi R, Knight K S, Molin G, Artioli G |
| |
Physics and Chemistry of Minerals 34 (2007) 185-200 |
|
High temperature structural and thermoelastic behaviour of mantle |
|
orthopyroxene: an in situ neutron powder diffraction study |
|
Sample: T = 20 C |
|
_database_code_amcsd 0009057 |
|
18.2429 8.8171 5.1894 90 90 90 Pbca |
|
atom x y z occ Uiso |
|
MgM1 .3780 .6514 .8714 .967 .00695 |
|
FeM1 .3780 .6514 .8714 .023 .00695 |
|
MgM2 .3754 .4879 .3508 .853 .01089 |
|
FeM2 .3754 .4879 .3508 .127 .01089 |
|
SiA .2700 .3468 .0527 .00153 |
|
SiB .4724 .3370 .7975 .97 .00153 |
|
AlB .4724 .3370 .7975 .03 .00153 |
|
O1A .1840 .3305 .0362 .00218 |
|
O1B .5618 .3462 .7963 .00218 |
|
O2A .3092 .5042 .0396 .00218 |
|
O2B .4318 .4895 .6888 .00218 |
|
O3A .3036 .2281 -.1686 .00218 |
|
O3B .4478 .1967 .6015 .00218 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Gatta G D, Rinaldi R, Knight K S, Molin G, Artioli G |
| |
Physics and Chemistry of Minerals 34 (2007) 185-200 |
|
High temperature structural and thermoelastic behaviour of mantle |
|
orthopyroxene: an in situ neutron powder diffraction study |
|
Sample: T = 1,200 C |
|
_database_code_amcsd 0009058 |
|
18.4588 8.9638 5.2848 90 90 90 Pbca |
|
atom x y z occ Uiso |
|
MgM1 .3814 .6504 .8953 .919 .04519 |
|
FeM1 .3814 .6504 .8953 .071 .04519 |
|
MgM2 .3723 .4848 .3715 .901 .05034 |
|
FeM2 .3723 .4848 .3715 .079 .05034 |
|
SiA .2710 .3464 .0655 .01735 |
|
SiB .4757 .3423 .7714 .97 .01735 |
|
AlB .4757 .3423 .7714 .03 .01735 |
|
O1A .1854 .3383 .0582 .01959 |
|
O1B .5632 .3427 .7823 .01959 |
|
O2A .3113 .5029 .0474 .01959 |
|
O2B .4324 .4964 .7068 .01959 |
|
O3A .3027 .2368 -.1691 .01959 |
|
O3B .4503 .2093 .5739 .01959 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Gatta G D, Rinaldi R, Knight K S, Molin G, Artioli G |
| |
Physics and Chemistry of Minerals 34 (2007) 185-200 |
|
High temperature structural and thermoelastic behaviour of mantle |
|
orthopyroxene: an in situ neutron powder diffraction study |
|
Sample: T = 1,175 C |
|
_database_code_amcsd 0009059 |
|
18.4517 8.9612 5.2797 90 90 90 Pbca |
|
atom x y z occ Uiso |
|
MgM1 .3814 .6514 .8937 .928 .04322 |
|
FeM1 .3814 .6514 .8937 .062 .04322 |
|
MgM2 .3729 .4850 .3692 .892 .04855 |
|
FeM2 .3729 .4850 .3692 .088 .04855 |
|
SiA .2712 .3464 .0647 .01682 |
|
SiB .4756 .3417 .7733 .97 .01682 |
|
AlB .4756 .3417 .7733 .03 .01682 |
|
O1A .1856 .3390 .0562 .01900 |
|
O1B .5629 .3435 .7843 .01900 |
|
O2A .3119 .5031 .0477 .01900 |
|
O2B .4321 .4956 .7053 .01900 |
|
O3A .3028 .2363 -.1702 .01900 |
|
O3B .4503 .2082 .5758 .01900 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Gatta G D, Rinaldi R, Knight K S, Molin G, Artioli G |
| |
Physics and Chemistry of Minerals 34 (2007) 185-200 |
|
High temperature structural and thermoelastic behaviour of mantle |
|
orthopyroxene: an in situ neutron powder diffraction study |
|
Sample: T = 1,150 C |
|
_database_code_amcsd 0009060 |
|
18.4450 8.9589 5.2749 90 90 90 Pbca |
|
atom x y z occ Uiso |
|
MgM1 .3812 .6516 .8913 .927 .04139 |
|
FeM1 .3812 .6516 .8913 .063 .04139 |
|
MgM2 .3731 .4852 .3673 .893 .04650 |
|
FeM2 .3731 .4852 .3673 .087 .04650 |
|
SiA .2710 .3473 .0621 .01572 |
|
SiB .4753 .3398 .7761 .97 .01572 |
|
AlB .4753 .3398 .7761 .03 .01572 |
|
O1A .1852 .3395 .0535 .01780 |
|
O1B .5626 .3430 .7859 .01780 |
|
O2A .3115 .5039 .0470 .01780 |
|
O2B .4321 .4944 .7045 .01780 |
|
O3A .3024 .2353 -.1706 .01780 |
|
O3B .4499 .2071 .5776 .01780 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Gatta G D, Rinaldi R, Knight K S, Molin G, Artioli G |
| |
Physics and Chemistry of Minerals 34 (2007) 185-200 |
|
High temperature structural and thermoelastic behaviour of mantle |
|
orthopyroxene: an in situ neutron powder diffraction study |
|
Sample: T = 1,125 C |
|
_database_code_amcsd 0009061 |
|
18.4378 8.9555 5.2711 90 90 90 Pbca |
|
atom x y z occ Uiso |
|
MgM1 .3811 .6518 .8904 .925 .04085 |
|
FeM1 .3811 .6518 .8904 .065 .04085 |
|
MgM2 .3732 .4852 .3656 .895 .04562 |
|
FeM2 .3732 .4852 .3656 .085 .04562 |
|
SiA .2712 .3470 .0615 .01538 |
|
SiB .4753 .3398 .7762 .97 .01538 |
|
AlB .4753 .3398 .7762 .03 .01538 |
|
O1A .1854 .3386 .0530 .01742 |
|
O1B .5626 .3437 .7859 .01742 |
|
O2A .3114 .5040 .0467 .01742 |
|
O2B .4321 .4944 .7037 .01742 |
|
O3A .3024 .2351 -.1703 .01742 |
|
O3B .4499 .2067 .5783 .01742 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Gatta G D, Rinaldi R, Knight K S, Molin G, Artioli G |
| |
Physics and Chemistry of Minerals 34 (2007) 185-200 |
|
High temperature structural and thermoelastic behaviour of mantle |
|
orthopyroxene: an in situ neutron powder diffraction study |
|
Sample: T = 1,100 C |
|
_database_code_amcsd 0009062 |
|
18.4314 8.9520 5.2674 90 90 90 Pbca |
|
atom x y z occ Uiso |
|
MgM1 .3809 .6518 .8889 .925 .04020 |
|
FeM1 .3809 .6518 .8889 .065 .04020 |
|
MgM2 .3736 .4855 .3648 .895 .04412 |
|
FeM2 .3736 .4855 .3648 .085 .04412 |
|
SiA .2712 .3475 .0612 .01488 |
|
SiB .4751 .3392 .7769 .97 .01488 |
|
AlB .4751 .3392 .7769 .03 .01488 |
|
O1A .1853 .3386 .0516 .01687 |
|
O1B .5627 .3429 .7863 .01687 |
|
O2A .3112 .5045 .0467 .01687 |
|
O2B .4321 .4934 .7026 .01687 |
|
O3A .3026 .2348 -.1702 .01687 |
|
O3B .4499 .2061 .5792 .01687 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Gatta G D, Rinaldi R, Knight K S, Molin G, Artioli G |
| |
Physics and Chemistry of Minerals 34 (2007) 185-200 |
|
High temperature structural and thermoelastic behaviour of mantle |
|
orthopyroxene: an in situ neutron powder diffraction study |
|
Sample: T = 1,075 C |
|
_database_code_amcsd 0009063 |
|
18.4244 8.9481 5.2639 90 90 90 Pbca |
|
atom x y z occ Uiso |
|
MgM1 .3807 .6519 .8876 .924 .03851 |
|
FeM1 .3807 .6519 .8876 .066 .03851 |
|
MgM2 .3740 .4848 .3645 .896 .04247 |
|
FeM2 .3740 .4848 .3645 .084 .04247 |
|
SiA .2712 .3473 .0599 .01460 |
|
SiB .4751 .3385 .7767 .97 .01460 |
|
AlB .4751 .3385 .7767 .03 .01460 |
|
O1A .1851 .3403 .0497 .01656 |
|
O1B .5626 .3420 .7869 .01656 |
|
O2A .3112 .5046 .0470 .01656 |
|
O2B .4321 .4929 .7024 .01656 |
|
O3A .3025 .2344 -.1702 .01656 |
|
O3B .4499 .2054 .5800 .01656 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Enstatite |
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Gatta G D, Rinaldi R, Knight K S, Molin G, Artioli G |
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Physics and Chemistry of Minerals 34 (2007) 185-200 |
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High temperature structural and thermoelastic behaviour of mantle |
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orthopyroxene: an in situ neutron powder diffraction study |
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Sample: T = 1,050 C |
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_database_code_amcsd 0009064 |
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18.4197 8.9449 5.2609 90 90 90 Pbca |
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atom x y z occ Uiso |
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MgM1 .3806 .6508 .8844 .924 .03678 |
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FeM1 .3806 .6508 .8844 .066 .03678 |
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MgM2 .3736 .4851 .3667 .896 .04140 |
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FeM2 .3736 .4851 .3667 .084 .04140 |
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SiA .2707 .3470 .0616 .01394 |
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SiB .4746 .3391 .7768 .97 .01394 |
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AlB .4746 .3391 .7768 .03 .01394 |
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O1A .1847 .3419 .0484 .01583 |
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O1B .5623 .3399 .7884 .01583 |
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O2A .3105 .5052 .0453 .01583 |
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O2B .4316 .4926 .7020 .01583 |
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O3A .3024 .2343 -.1697 .01583 |
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O3B .4501 .2047 .5813 .01583 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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Enstatite |
|
Gatta G D, Rinaldi R, Knight K S, Molin G, Artioli G |
| |
Physics and Chemistry of Minerals 34 (2007) 185-200 |
|
High temperature structural and thermoelastic behaviour of mantle |
|
orthopyroxene: an in situ neutron powder diffraction study |
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Sample: T = 1,025 C |
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_database_code_amcsd 0009065 |
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18.4125 8.9408 5.2577 90 90 90 Pbca |
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atom x y z occ Uiso |
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MgM1 .3806 .6516 .8829 .929 .03836 |
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FeM1 .3806 .6516 .8829 .061 .03836 |
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MgM2 .3738 .4853 .3643 .891 .04045 |
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FeM2 .3738 .4853 .3643 .089 .04045 |
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SiA .2708 .3471 .0603 .01337 |
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SiB .4745 .3387 .7781 .97 .01337 |
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AlB .4745 .3387 .7781 .03 .01337 |
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O1A .1849 .3416 .0481 .01520 |
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O1B .5624 .3400 .7888 .01520 |
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O2A .3105 .5057 .0452 .01520 |
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O2B .4319 .4922 .7018 .01520 |
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O3A .3023 .2340 -.1701 .01520 |
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O3B .4498 .2041 .5818 .01520 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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Enstatite |
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Gatta G D, Rinaldi R, Knight K S, Molin G, Artioli G |
| |
Physics and Chemistry of Minerals 34 (2007) 185-200 |
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High temperature structural and thermoelastic behaviour of mantle |
|
orthopyroxene: an in situ neutron powder diffraction study |
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Sample: T = 1,000 C |
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_database_code_amcsd 0009066 |
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18.4047 8.9366 5.2543 90 90 90 Pbca |
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atom x y z occ Uiso |
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MgM1 .3801 .6525 .8848 .928 .03640 |
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FeM1 .3801 .6525 .8848 .062 .03640 |
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MgM2 .3748 .4852 .3611 .892 .03988 |
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FeM2 .3748 .4852 .3611 .088 .03988 |
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SiA .2711 .3481 .0582 .01347 |
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SiB .4747 .3375 .7783 .97 .01347 |
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AlB .4747 .3375 .7783 .03 .01347 |
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O1A .1852 .3385 .0474 .01531 |
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O1B .5624 .3426 .7875 .01531 |
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O2A .3108 .5052 .0462 .01531 |
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O2B .4322 .4911 .7018 .01531 |
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O3A .3027 .2335 -.1701 .01531 |
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O3B .4496 .2037 .5820 .01531 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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|
Enstatite |
|
Gatta G D, Rinaldi R, Knight K S, Molin G, Artioli G |
| |
Physics and Chemistry of Minerals 34 (2007) 185-200 |
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High temperature structural and thermoelastic behaviour of mantle |
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orthopyroxene: an in situ neutron powder diffraction study |
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Sample: T = 975 C |
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_database_code_amcsd 0009067 |
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18.3995 8.9329 5.2519 90 90 90 Pbca |
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atom x y z occ Uiso |
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MgM1 .3803 .6520 .8821 .927 .03589 |
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FeM1 .3803 .6520 .8821 .063 .03589 |
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MgM2 .3743 .4852 .3617 .893 .03947 |
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FeM2 .3743 .4852 .3617 .087 .03947 |
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SiA .2707 .3472 .0590 .01273 |
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SiB .4744 .3376 .7791 .97 .01273 |
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AlB .4744 .3376 .7791 .03 .01273 |
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O1A .1849 .3408 .0471 .01450 |
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O1B .5622 .3409 .7890 .01450 |
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O2A .3104 .5058 .0446 .01450 |
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O2B .4320 .4916 .7012 .01450 |
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O3A .3022 .2333 -.1700 .01450 |
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O3B .4494 .2033 .5835 .01450 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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|
Enstatite |
|
Gatta G D, Rinaldi R, Knight K S, Molin G, Artioli G |
| |
Physics and Chemistry of Minerals 34 (2007) 185-200 |
|
High temperature structural and thermoelastic behaviour of mantle |
|
orthopyroxene: an in situ neutron powder diffraction study |
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Sample: T = 150 C |
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_database_code_amcsd 0009068 |
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18.2513 8.8274 5.1929 90 90 90 Pbca |
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atom x y z occ Uiso |
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MgM1 .3793 .6526 .8682 .972 .00709 |
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FeM1 .3793 .6526 .8682 .018 .00709 |
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MgM2 .3745 .4876 .3531 .848 .00974 |
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FeM2 .3745 .4876 .3531 .132 .00974 |
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SiA .2694 .3475 .0505 .00361 |
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SiB .4729 .3354 .7952 .97 .00361 |
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AlB .4729 .3354 .7952 .03 .00361 |
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O1A .1832 .3374 .0381 .00447 |
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O1B .5617 .3426 .7963 .00447 |
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O2A .3094 .5056 .0372 .00447 |
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O2B .4318 .4858 .6893 .00447 |
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O3A .3044 .2255 -.1702 .00447 |
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O3B .4474 .1976 .6020 .00447 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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