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Omphacite |
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Curtis L, Gittins J, Kocman V, Rucklidge J C, Hawthorne F C, Ferguson R B |
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The Canadian Mineralogist 13 (1975) 62-67 |
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Two crystal structure refinements of a P2/n titanian ferro-omphacite |
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Sample: Tronto |
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_database_code_amcsd 0005103 |
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9.622 8.826 5.279 90 106.92 90 P2/n |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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FeM1 .75 .6570 .25 .779 .0021 .0022 .0039 0 .0009 0 |
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AlM1 .75 .6570 .25 .221 .0021 .0022 .0039 0 .0009 0 |
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FeM11 .75 .8499 .75 .171 .0016 .0013 .0037 0 .0016 0 |
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AlM11 .75 .8499 .75 .829 .0016 .0013 .0037 0 .0016 0 |
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CaM2 .75 .0524 .25 .285 .0056 .0036 .0119 0 .0015 0 |
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NaM2 .75 .0524 .25 .715 .0056 .0036 .0119 0 .0015 0 |
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CaM21 .75 .4530 .75 .699 .0052 .0029 .0082 0 .0003 0 |
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NaM21 .75 .4530 .75 .301 .0052 .0029 .0082 0 .0003 0 |
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Si1 .0402 .8472 .2298 .0023 .0016 .0052 .0001 .0020 -.0002 |
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Si2 .0381 .6651 .7354 .0019 .0019 .0045 .0000 .0015 .0000 |
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O11 .8655 .8410 .1223 .0019 .0031 .0098 .0001 .0025 -.0003 |
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O12 .8622 .6804 .6561 .0027 .0028 .0102 .0004 .0025 -.0006 |
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O21 .1154 .0091 .3095 .0036 .0027 .0074 -.0007 .0018 .0000 |
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O22 .1039 .5007 .8052 .0043 .0031 .0113 .0016 .0034 .0018 |
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O31 .1077 .7660 .0082 .0038 .0032 .0060 .0001 .0021 -.0013 |
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O32 .0969 .7430 .5019 .0024 .0034 .0082 .0002 .0021 .0007 |
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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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| |
|
Omphacite |
|
Curtis L, Gittins J, Kocman V, Rucklidge J C, Hawthorne F C, Ferguson R B |
|
The Canadian Mineralogist 13 (1975) 62-67 |
|
Two crystal structure refinements of a P2/n titanian ferro-omphacite |
|
Sample: Winnipeg |
|
_database_code_amcsd 0005104 |
|
9.622 8.826 5.279 90 106.92 90 P2/n |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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FeM1 .75 .6560 .25 .786 .0017 .0021 .0053 0 .0005 0 |
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AlM1 .75 .6560 .25 .214 .0017 .0021 .0053 0 .0005 0 |
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FeM11 .75 .8499 .75 .251 .0013 .0016 .0038 0 .0008 0 |
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AlM11 .75 .8499 .75 .749 .0013 .0016 .0038 0 .0008 0 |
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CaM2 .75 .0520 .25 .260 .0052 .0035 .0106 0 .0005 0 |
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NaM2 .75 .0520 .25 .740 .0052 .0035 .0106 0 .0005 0 |
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CaM21 .75 .4526 .75 .672 .0045 .0033 .0095 0 -.0003 0 |
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NaM21 .75 .4526 .75 .328 .0045 .0033 .0095 0 -.0003 0 |
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Si1 .0402 .8464 .2305 .0015 .0020 .0046 .0000 .0011 .0001 |
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Si2 .0382 .6647 .7353 .0017 .0018 .0035 .0001 .0010 .0001 |
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O11 .8646 .8400 .1227 .0017 .0030 .0053 -.0001 .0012 -.0001 |
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O12 .8632 .6798 .6559 .0012 .0030 .0061 -.0003 .0012 -.0003 |
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O21 .1156 .0088 .3088 .0022 .0019 .0077 -.0003 .0007 -.0004 |
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O22 .1041 .5002 .8058 .0033 .0022 .0089 .0008 .0019 .0007 |
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O31 .1072 .7661 .0102 .0018 .0027 .0067 .0003 .0010 -.0012 |
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O32 .0972 .7428 .5024 .0020 .0027 .0033 -.0001 .0017 .0008 |
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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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| |
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