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Orthopyroxene |
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Domeneghetti M C, Tazzoli V, Ballaran T B, Molin G M |
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American Mineralogist 81 (1996) 842-846 |
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Orthopyroxene from the Serra de Mage meteorite: A structure-refinement procedure |
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for a Pbca phase coexisting with a C2/c exsolved phase |
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Sample Opx SDM N.13, natural |
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_database_code_amcsd 0001805 |
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18.316 8.907 5.218 90 90 90 Pbca |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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SiA .22851 .65945 .5520 .993 .0066 .0063 .0034 -.0006 -.0004 .0003 |
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AlA .22851 .65945 .5520 .014 .0066 .0063 .0034 -.0006 -.0004 .0003 |
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SiB .47401 .33650 .7950 .993 .0064 .0058 .0031 .0002 -.0004 -.0001 |
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AlB .47401 .33650 .7950 .014 .0064 .0058 .0031 .0002 -.0004 -.0001 |
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O1A .3161 .8380 .0440 .0077 .0086 .0043 -.0002 .0003 .0001 |
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O1B .5625 .3370 .7957 .0057 .0088 .0045 -.0001 -.0018 .0011 |
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O2A .3111 .5003 .0539 .0098 .0081 .0067 -.0016 -.0028 .0004 |
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O2B .4341 .4852 .6976 .0112 .0087 .0071 .0017 .0004 .0017 |
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O3A .1976 .7686 .3243 .0096 .0124 .0061 .0016 -.0003 .0035 |
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O3B .4473 .2022 .5935 .0105 .0113 .0067 -.0006 -.0006 -.0030 |
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Mg1 .37537 .65467 .8743 .897 .0084 .0071 .0035 -.0001 -.0006 .0003 |
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Fe1 .37537 .65467 .8743 .091 .0084 .0071 .0035 -.0001 -.0006 .0003 |
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Mn1 .37537 .65467 .8743 .003 .0084 .0071 .0035 -.0001 -.0006 .0003 |
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Cr1 .37537 .65467 .8743 .004 .0084 .0071 .0035 -.0001 -.0006 .0003 |
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Ti1 .37537 .65467 .8743 .005 .0084 .0071 .0035 -.0001 -.0006 .0003 |
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Mg2 .37799 .48326 .36791 .237 .0103 .0096 .0042 -.0012 -.0022 .0000 |
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Fe2 .37799 .48326 .36791 .704 .0103 .0096 .0042 -.0012 -.0022 .0000 |
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Mn2 .37799 .48326 .36791 .023 .0103 .0096 .0042 -.0012 -.0022 .0000 |
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Ca2 .37799 .48326 .36791 .036 .0103 .0096 .0042 -.0012 -.0022 .0000 |
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| |
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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 |
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Sample Opx SDM N.7, heated |
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_database_code_amcsd 0001806 |
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18.320 8.917 5.219 90 90 90 Pbca |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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SiA .22838 .65955 .5514 .993 .0051 .0056 .0041 -.0007 -.0008 .0001 |
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AlA .22838 .65955 .5514 .014 .0051 .0056 .0041 -.0007 -.0008 .0001 |
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SiB .47386 .33637 .7946 .993 .0050 .0049 .0043 .0006 -.0001 .0004 |
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AlB .47386 .33637 .7946 .014 .0050 .0049 .0043 .0006 -.0001 .0004 |
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O1A .31602 .8387 .0412 .0064 .0078 .0063 .0001 .0001 -.0001 |
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O1B .56216 .3379 .7951 .0047 .0087 .0068 -.0001 -.0007 .0003 |
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O2A .31132 .4996 .0517 .0092 .0076 .0074 -.0017 -.0012 .0020 |
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O2B .43368 .4840 .6951 .0084 .0090 .0077 .0011 -.0007 .0014 |
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O3A .19772 .7698 .3246 .0077 .0114 .0074 -.0004 -.0012 .0035 |
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O3B .44762 .2012 .5940 .0084 .0102 .0075 -.0009 -.0010 -.0030 |
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Mg1 .37563 .65440 .8726 .764 .0069 .0061 .0052 -.0002 -.0009 .0002 |
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Fe1 .37563 .65440 .8726 .220 .0069 .0061 .0052 -.0002 -.0009 .0002 |
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Mn1 .37563 .65440 .8726 .007 .0069 .0061 .0052 -.0002 -.0009 .0002 |
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Cr1 .37563 .65440 .8726 .004 .0069 .0061 .0052 -.0002 -.0009 .0002 |
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Ti1 .37563 .65440 .8726 .005 .0069 .0061 .0052 -.0002 -.0009 .0002 |
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Mg2 .37780 .48378 .36644 .364 .0091 .0096 .0068 -.0011 -.0025 -.0002 |
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Fe2 .37780 .48378 .36644 .581 .0091 .0096 .0068 -.0011 -.0025 -.0002 |
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Mn2 .37780 .48378 .36644 .019 .0091 .0096 .0068 -.0011 -.0025 -.0002 |
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Ca2 .37780 .48378 .36644 .036 .0091 .0096 .0068 -.0011 -.0025 -.0002 |
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Orthopyroxene |
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Nestola F, Ballaran T B, Balic-Zunic T, Secco L, Dal Negro A |
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American Mineralogist 93 (2008) 644-652 |
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The high-pressure behavior of an Al- and Fe-rich natural orthopyroxene |
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Sample: P = 0 GPa, in air |
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_database_code_amcsd 0004556 |
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18.2889 8.8662 5.2175 90 90 90 Pbca |
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atom x y z occ Uiso |
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Fe2+M2 .37965 .48140 .36168 .818 .0084 |
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MgM2 .37965 .48140 .36168 .156 .0084 |
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CaM2 .37965 .48140 .36168 .010 .0084 |
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MnM2 .37965 .48140 .36168 .016 .0084 |
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Fe2+M1 .37580 .65423 .8690 .081 .0074 |
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MgM1 .37580 .65423 .8690 .767 .0074 |
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AlM1 .37580 .65423 .8690 .084 .0074 |
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Fe3+M1 .37580 .65423 .8690 .068 .0074 |
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SiTA .27129 .34091 .0482 .0056 |
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SiTB .47336 .33616 .8012 .848 .0060 |
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AlTB .47336 .33616 .8012 .152 .0060 |
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O1A .18322 .3375 .0412 .0081 |
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O2A .31104 .5017 .0506 .0092 |
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O3A .30213 .2314 -.1800 .0090 |
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O1B .56311 .3355 .8031 .0082 |
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O2B .43341 .4855 .6953 .0096 |
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O3B .44655 .3027 .1038 .0101 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
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Orthopyroxene |
| |
Nestola F, Ballaran T B, Balic-Zunic T, Secco L, Dal Negro A |
|
American Mineralogist 93 (2008) 644-652 |
|
The high-pressure behavior of an Al- and Fe-rich natural orthopyroxene |
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Sample: P = 0 GPa, in air, same # of reflections as DAC crystal |
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_database_code_amcsd 0004557 |
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18.2889 8.8662 5.2175 90 90 90 Pbca |
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atom x y z occ Uiso |
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Fe2+M2 .37962 .48150 .3618 .818 .0086 |
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MgM2 .37962 .48150 .3618 .156 .0086 |
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CaM2 .37962 .48150 .3618 .010 .0086 |
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MnM2 .37962 .48150 .3618 .016 .0086 |
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Fe2+M1 .37582 .65443 .86913 .081 .0066 |
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MgM1 .37582 .65443 .86913 .767 .0066 |
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AlM1 .37582 .65443 .86913 .084 .0066 |
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Fe3+M1 .37582 .65443 .86913 .068 .0066 |
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SiTA .27142 .3411 .0480 .00564 |
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SiTB .47330 .3366 .8012 .848 .0059 |
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AlTB .47330 .3366 .8012 .152 .0059 |
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O1A .1832 .3382 .0405 .0079 |
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O2A .3111 .5014 .0514 .0097 |
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O3A .3021 .2317 -.1798 .0090 |
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O1B .5631 .3350 .8033 .0087 |
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O2B .4335 .4851 .6953 .0088 |
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O3B .4466 .3026 .1044 .0114 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
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Orthopyroxene |
| |
Nestola F, Ballaran T B, Balic-Zunic T, Secco L, Dal Negro A |
|
American Mineralogist 93 (2008) 644-652 |
|
The high-pressure behavior of an Al- and Fe-rich natural orthopyroxene |
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Sample: P = 0.163 GPa |
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_database_code_amcsd 0004558 |
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18.2804 8.8601 5.2161 90 90 90 Pbca |
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atom x y z occ Uiso |
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Fe2+M2 .37962 .4811 .3614 .818 .0110 |
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MgM2 .37962 .4811 .3614 .156 .0110 |
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CaM2 .37962 .4811 .3614 .010 .0110 |
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MnM2 .37962 .4811 .3614 .016 .0110 |
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Fe2+M1 .37577 .6542 .8687 .081 .0110 |
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MgM1 .37577 .6542 .8687 .767 .0110 |
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AlM1 .37577 .6542 .8687 .084 .0110 |
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Fe3+M1 .37577 .6542 .8687 .068 .0110 |
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SiTA .27140 .3406 .0479 .0058 |
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SiTB .47332 .3361 .8030 .848 .0068 |
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AlTB .47332 .3361 .8030 .152 .0068 |
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O1A .1830 .3370 .0401 .0086 |
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O2A .3112 .5012 .0502 .0096 |
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O3A .3021 .2326 -.181 .0086 |
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O1B .5626 .3351 .8044 .0096 |
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O2B .4335 .4857 .6913 .0108 |
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O3B .4464 .3030 .1008 .0094 |
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
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Orthopyroxene |
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Nestola F, Ballaran T B, Balic-Zunic T, Secco L, Dal Negro A |
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American Mineralogist 93 (2008) 644-652 |
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The high-pressure behavior of an Al- and Fe-rich natural orthopyroxene |
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Sample: P = 1.715 GPa |
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_database_code_amcsd 0004559 |
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18.2192 8.8111 5.1965 90 90 90 Pbca |
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atom x y z occ Uiso |
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Fe2+M2 .37964 .4803 .3588 .818 .0109 |
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MgM2 .37964 .4803 .3588 .156 .0109 |
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CaM2 .37964 .4803 .3588 .010 .0109 |
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MnM2 .37964 .4803 .3588 .016 .0109 |
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Fe2+M1 .37578 .6552 .8664 .081 .0103 |
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MgM1 .37578 .6552 .8664 .767 .0103 |
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AlM1 .37578 .6552 .8664 .084 .0103 |
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Fe3+M1 .37578 .6552 .8664 .068 .0103 |
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SiTA .27127 .3410 .0448 .0064 |
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SiTB .47318 .3365 .8037 .848 .0066 |
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AlTB .47318 .3365 .8037 .152 .0066 |
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O1A .1832 .3370 .0370 .009 |
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O2A .3107 .5028 .0452 .010 |
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O3A .3026 .2325 -.185 .009 |
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O1B .5624 .3352 .8072 .008 |
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O2B .4337 .4868 .6926 .012 |
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O3B .4460 .3043 .1032 .010 |
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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 (permalink)
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| |
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Orthopyroxene |
| |
Nestola F, Ballaran T B, Balic-Zunic T, Secco L, Dal Negro A |
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American Mineralogist 93 (2008) 644-652 |
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The high-pressure behavior of an Al- and Fe-rich natural orthopyroxene |
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Sample: P = 3.947 GPa |
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_database_code_amcsd 0004560 |
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18.1427 8.7460 5.1716 90 90 90 Pbca |
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atom x y z occ Uiso |
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Fe2+M2 .37963 .4792 .3568 .818 .0100 |
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MgM2 .37963 .4792 .3568 .156 .0100 |
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CaM2 .37963 .4792 .3568 .010 .0100 |
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MnM2 .37963 .4792 .3568 .016 .0100 |
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Fe2+M1 .37582 .6559 .8644 .081 .0099 |
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MgM1 .37582 .6559 .8644 .767 .0099 |
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AlM1 .37582 .6559 .8644 .084 .0099 |
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Fe3+M1 .37582 .6559 .8644 .068 .0099 |
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SiTA .27112 .3418 .0403 .0061 |
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SiTB .47292 .3367 .8048 .848 .0064 |
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AlTB .47292 .3367 .8048 .152 .0064 |
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O1A .1825 .3373 .0338 .009 |
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O2A .3099 .5053 .0423 .011 |
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O3A .3027 .2330 -.188 .008 |
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O1B .5625 .3351 .8069 .008 |
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O2B .4340 .4879 .6916 .011 |
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O3B .4453 .3058 .1077 .009 |
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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 (permalink)
|
| |
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Orthopyroxene |
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Nestola F, Ballaran T B, Balic-Zunic T, Secco L, Dal Negro A |
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American Mineralogist 93 (2008) 644-652 |
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The high-pressure behavior of an Al- and Fe-rich natural orthopyroxene |
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Sample: P = 8.033 GPa |
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_database_code_amcsd 0004561 |
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18.0221 8.6456 5.1327 90 90 90 Pbca |
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atom x y z occ Uiso |
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Fe2+M2 .37954 .4777 .3544 .818 .0089 |
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MgM2 .37954 .4777 .3544 .156 .0089 |
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CaM2 .37954 .4777 .3544 .010 .0089 |
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MnM2 .37954 .4777 .3544 .016 .0089 |
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Fe2+M1 .37601 .6572 .8612 .081 .0094 |
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MgM1 .37601 .6572 .8612 .767 .0094 |
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AlM1 .37601 .6572 .8612 .084 .0094 |
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Fe3+M1 .37601 .6572 .8612 .068 .0094 |
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SiTA .27097 .3430 .0350 .0056 |
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SiTB .47284 .3374 .8057 .848 .0063 |
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AlTB .47284 .3374 .8057 .152 .0063 |
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O1A .1821 .3376 .0286 .008 |
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O2A .3090 .5085 .0390 .010 |
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O3A .3037 .2328 -.195 .008 |
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O1B .5625 .3355 .8118 .009 |
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O2B .4344 .4897 .6886 .011 |
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O3B .4447 .3066 .1090 .009 |
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
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Orthopyroxene |
| |
Nestola F, Ballaran T B, Balic-Zunic T, Secco L, Dal Negro A |
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American Mineralogist 93 (2008) 644-652 |
|
The high-pressure behavior of an Al- and Fe-rich natural orthopyroxene |
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Sample: P = 9.562 GPa |
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_database_code_amcsd 0004562 |
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17.9770 8.6100 5.1227 90 90 90 Pbca |
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atom x y z occ Uiso |
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Fe2+M2 .37946 .4772 .3536 .818 .0085 |
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MgM2 .37946 .4772 .3536 .156 .0085 |
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CaM2 .37946 .4772 .3536 .010 .0085 |
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MnM2 .37946 .4772 .3536 .016 .0085 |
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Fe2+M1 .3762 .6579 .8598 .081 .0095 |
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MgM1 .3762 .6579 .8598 .767 .0095 |
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AlM1 .3762 .6579 .8598 .084 .0095 |
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Fe3+M1 .3762 .6579 .8598 .068 .0095 |
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SiTA .2709 .3431 .0337 .0058 |
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SiTB .4728 .3375 .8059 .848 .0064 |
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AlTB .4728 .3375 .8059 .152 .0064 |
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O1A .1819 .3376 .0312 .006 |
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O2A .3088 .5093 .0368 .010 |
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O3A .3037 .2336 -.197 .009 |
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O1B .5627 .3352 .8118 .008 |
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O2B .4347 .4898 .6876 .011 |
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O3B .4447 .3072 .1107 .008 |
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Orthopyroxene |
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Tachi T, Horiuchi H, Nagasawa H |
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Physics and Chemistry of Minerals 24 (1997) 463-476 |
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Structure of Cu-bearing orthopyroxene, Mg(Cu.56,Mg.44)Si2O6, |
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and behavior of Cu2+ in the orthopyroxene structure |
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_database_code_amcsd 0008029 |
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18.221 8.890 5.2260 90 90 90 Pbca |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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MgM1 .12430 .3474 .3864 .42 .0004 .0008 .0043 .0000 -.00004 .0001 |
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MgM2 .12494 -.00781 .3813 .436 .48 .0005 .00087 .0046 .00007 .00036 .00046 |
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CuM2 .12494 -.00781 .3813 .564 .48 .0005 .00087 .0046 .00007 .00036 .00046 |
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SiTA .22621 -.1610 .0739 .29 .00027 .00065 .0028 .00008 -.00007 -.0001 |
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SiTB .02583 -.3374 .2821 .34 .00036 .00068 .0029 .00004 -.00009 -.0001 |
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O1A .1856 .3355 .0635 .52 .00039 .0014 .0052 -.00002 .0001 -.00002 |
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O2A .1875 .0015 .0742 .67 .00067 .0010 .0074 .0004 .0001 .0004 |
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O3A .1945 -.2282 .3485 .63 .00052 .0022 .0045 .00010 -.0004 .0012 |
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O1B .0637 .1590 .2156 .44 .00035 .0012 .0044 .00006 -.0001 .0004 |
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O2B .0678 .5123 .1931 .58 .00068 .0011 .0045 .00020 -.0001 -.0004 |
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O3B .0508 -.2056 .0760 .58 .00052 .0020 .0037 -.00024 .0000 .0014 |
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