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Monticellite |
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Lager G A, Meagher E P |
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American Mineralogist 63 (1978) 365-377 |
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High-temperature structural study of six olivines |
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T = 25 deg C, sample is from Crestmore, California, USA |
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Note: Si-y altered to reproduce reported bond lengths |
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_database_code_amcsd 0000646 |
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4.825 11.111 6.383 90 90 90 Pbnm |
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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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Mg 0 0 0 .93 .0024 .0006 .0022 -.0003 -.0007 -.0001 |
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Fe 0 0 0 .07 .0024 .0006 .0022 -.0003 -.0007 -.0001 |
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Ca .9771 .2766 .25 .0058 .0009 .0011 .0001 0 0 |
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Si .4110 .0815 .25 .0024 .0007 .0018 -.0002 0 0 |
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O1 .7460 .0768 .25 .0026 .0020 .0009 -.0005 0 0 |
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O2 .2466 .4491 .25 .0027 .0004 .0071 .0006 0 0 |
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O3 .2725 .1466 .0451 .0044 .0016 .0029 .0008 -.0008 .0002 |
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| Download AMC data (View Text File)
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Monticellite |
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Lager G A, Meagher E P |
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American Mineralogist 63 (1978) 365-377 |
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High-temperature structural study of six olivines |
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T = 335 deg C, sample is from Crestmore, California, USA |
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_database_code_amcsd 0000647 |
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4.834 11.147 6.409 90 90 90 Pbnm |
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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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Mg 0 0 0 .93 .0092 .0017 .0031 -.0005 -.0023 -.0001 |
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Fe 0 0 0 .07 .0092 .0017 .0031 -.0005 -.0023 -.0001 |
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Ca .9764 .2774 .25 .0117 .0015 .0049 .0003 0 0 |
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Si .4091 .0817 .25 .0041 .0014 .0046 .0002 0 0 |
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O1 .7434 .0776 .25 .0032 .0032 .0112 -.0008 0 0 |
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O2 .2476 .4501 .25 .0117 .0014 .0075 .0010 0 0 |
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O3 .2738 .1473 .0472 .0095 .0024 .0060 .0000 .0014 .0010 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Monticellite |
|
Lager G A, Meagher E P |
|
American Mineralogist 63 (1978) 365-377 |
|
High-temperature structural study of six olivines |
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T = 615 deg C, sample is from Crestmore, California, USA |
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_database_code_amcsd 0000648 |
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4.848 11.176 6.436 90 90 90 Pbnm |
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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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Mg 0 0 0 .93 .0157 .0033 .0067 -.0012 -.0028 .0001 |
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Fe 0 0 0 .07 .0157 .0033 .0067 -.0012 -.0028 .0001 |
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Ca .9759 .2781 .25 .0175 .0024 .0088 .0007 0 0 |
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Si .4087 .0824 .25 .0083 .0022 .0083 -.0002 0 0 |
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O1 .7428 .0785 .25 .0088 .0049 .0163 -.0006 0 0 |
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O2 .2463 .4509 .25 .0149 .0023 .0112 .0011 0 0 |
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O3 .2731 .1476 .0472 .0175 .0033 .0096 .0002 -.0001 .0011 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Monticellite |
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Lager G A, Meagher E P |
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American Mineralogist 63 (1978) 365-377 |
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High-temperature structural study of six olivines |
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T = 795 deg C, sample is from Crestmore, California, USA |
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_database_code_amcsd 0000649 |
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4.857 11.199 6.454 90 90 90 Pbnm |
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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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Mg 0 0 0 .93 .0166 .0041 .0130 -.0015 -.0042 -.0003 |
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Fe 0 0 0 .07 .0166 .0041 .0130 -.0015 -.0042 -.0003 |
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Ca .9753 .2789 .25 .0215 .0032 .0130 .0007 0 0 |
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Si .4076 .0829 .25 .0107 .0029 .0108 -.0003 0 0 |
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O1 .7398 .0785 .25 .0137 .0061 .0218 0 0 0 |
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O2 .2463 .4521 .25 .0147 .0030 .0162 .0001 0 0 |
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O3 .2729 .1479 .0477 .0232 .0038 .0135 .0009 -.0005 .0016 |
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| Download AMC data (View Text File)
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Monticellite |
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Sharp Z D, Hazen R M, Finger L W |
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American Mineralogist 72 (1987) 748-755 |
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High-pressure crystal chemistry of monticellite, CaMgSiO4 |
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Sample: P = .001 kbar |
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Note: O1x changed to reproduce its bond lengths |
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_database_code_amcsd 0001096 |
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4.821 11.105 6.381 90 90 90 Pbnm |
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atom x y z Biso |
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Mg1 0 0 0 1.04 |
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Ca2 .9774 .2771 .25 1.01 |
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Si .4111 .0823 .25 .96 |
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O1 .7374 .0773 .25 1.17 |
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O2 .2523 .4494 .25 1.04 |
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O3 .2728 .1470 .0467 1.14 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
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Monticellite |
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Sharp Z D, Hazen R M, Finger L W |
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American Mineralogist 72 (1987) 748-755 |
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High-pressure crystal chemistry of monticellite, CaMgSiO4 |
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Sample: P = 11.1 kbar, collected with 4-mm-diameter apertures |
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_database_code_amcsd 0001097 |
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4.812 11.051 6.364 90 90 90 Pbnm |
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atom x y z Biso |
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Mg1 0 0 0 1.43 |
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Ca2 .9770 .2764 .25 1.32 |
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Si .4122 .0811 .25 1.25 |
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O1 .7462 .0775 .25 1.61 |
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O2 .2472 .4478 .25 1.40 |
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O3 .2714 .1479 .0455 1.34 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
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Monticellite |
|
Sharp Z D, Hazen R M, Finger L W |
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American Mineralogist 72 (1987) 748-755 |
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High-pressure crystal chemistry of monticellite, CaMgSiO4 |
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Sample: P = 11.1 kbar, collected with 8-mm-diameter apertures |
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_database_code_amcsd 0001098 |
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4.812 11.051 6.364 90 90 90 Pbnm |
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atom x y z Biso |
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Mg1 0 0 0 1.13 |
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Ca2 .9766 .2763 .25 .99 |
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Si .4099 .0812 .25 .82 |
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O1 .7481 .0769 .25 1.22 |
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O2 .2458 .4484 .25 .88 |
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O3 .2741 .1465 .0444 .84 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
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Monticellite |
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Sharp Z D, Hazen R M, Finger L W |
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American Mineralogist 72 (1987) 748-755 |
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High-pressure crystal chemistry of monticellite, CaMgSiO4 |
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Sample: P = 20.7 kbar |
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_database_code_amcsd 0001099 |
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4.800 11.004 6.346 90 90 90 Pbnm |
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atom x y z Biso |
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Mg1 0 0 0 .93 |
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Ca2 .9748 .2766 .25 1.00 |
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Si .4116 .0801 .25 .86 |
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O1 .7412 .0773 .25 1.22 |
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O2 .2464 .4477 .25 1.15 |
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O3 .2722 .1482 .0447 1.14 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
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Monticellite |
|
Sharp Z D, Hazen R M, Finger L W |
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American Mineralogist 72 (1987) 748-755 |
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High-pressure crystal chemistry of monticellite, CaMgSiO4 |
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Sample: P = 29.1 kbar |
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Note: Cannot reproduce many of the published bond lengths |
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_database_code_amcsd 0001100 |
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4.793 10.971 6.335 90 90 90 Pbnm |
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atom x y z Biso |
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Mg1 0 0 0 1.03 |
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Ca2 .9751 .2765 .25 .98 |
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Si .4117 .0811 .25 .81 |
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O1 .7389 .0766 .25 1.57 |
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O2 .2514 .4483 .25 .87 |
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O3 .2731 .1471 .0453 1.20 |
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|
| Download AMC data (View Text File)
Download CIF data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
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Monticellite |
|
Sharp Z D, Hazen R M, Finger L W |
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American Mineralogist 72 (1987) 748-755 |
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High-pressure crystal chemistry of monticellite, CaMgSiO4 |
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Sample; P = 41.2 kbar |
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_database_code_amcsd 0001101 |
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4.779 10.922 6.317 90 90 90 Pbnm |
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atom x y z Biso |
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Mg 0 0 0 .95 |
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Ca .9746 .2761 .25 1.02 |
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Si .4102 .0807 .25 .93 |
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O1 .7434 .0776 .25 1.32 |
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O2 .2490 .4471 .25 .77 |
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O3 .2737 .1476 .0474 1.02 |
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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) |
| |
|
Monticellite |
|
Sharp Z D, Hazen R M, Finger L W |
|
American Mineralogist 72 (1987) 748-755 |
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High-pressure crystal chemistry of monticellite, CaMgSiO4 |
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Sample: P = 53.0 kbar |
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_database_code_amcsd 0001102 |
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4.770 10.882 6.305 90 90 90 Pbnm |
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atom x y z Biso |
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Mg 0 0 0 1.06 |
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Ca .9744 .2754 .25 1.02 |
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Si .4117 .0807 .25 .88 |
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O1 .7473 .0770 .25 1.32 |
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O2 .2474 .4456 .25 1.17 |
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O3 .2723 .1472 .0449 .92 |
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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) |
| |
|
Monticellite |
|
Sharp Z D, Hazen R M, Finger L W |
|
American Mineralogist 72 (1987) 748-755 |
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High-pressure crystal chemistry of monticellite, CaMgSiO4 |
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Sample: P = 61.7 kbar |
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_database_code_amcsd 0001103 |
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4.763 10.849 6.294 90 90 90 Pbnm |
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atom x y z Biso |
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Mg 0 0 0 .86 |
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Ca .9733 .2757 .25 .94 |
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Si .4134 .0807 .25 .77 |
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O1 .7477 .0760 .25 1.42 |
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O2 .2476 .4461 .25 1.11 |
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O3 .2715 .1476 .0450 1.057 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
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Monticellite |
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Pilati T, Demartin F, Gramaccioli C M |
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Acta Crystallographica B51 (1995) 721-733 |
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Thermal parameters for minerals of the olivine group: |
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their implication on vibrational spectra, |
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thermodynamic functions and transferable force fields |
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Locality: Crestmore, California, USA |
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_database_code_amcsd 0019700 |
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11.1098 6.3894 4.8281 90 90 90 Pnma |
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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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Mg1 0 0 0 .88 .0072 .0061 .0056 -.0006 -.0008 -.0016 |
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Fe1 0 0 0 .12 .0072 .0061 .0056 -.0006 -.0008 -.0016 |
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Ca2 .27684 .25 -.02255 .0059 .0063 .0071 0 .0003 0 |
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Si .08156 .25 .41098 .0062 .0056 .0043 0 .0002 0 |
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O1 .07767 .25 -.2543 .0099 .0101 .0047 0 -.0003 0 |
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O2 .44901 .25 .2460 .0059 .0092 .0069 0 -.0001 0 |
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O3 .14753 .0457 .2733 .0081 .0068 .0075 .0013 .0004 .0002 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
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Monticellite |
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Brown G, West J |
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Zeitschrift fur Kristallographie 66 (1927) 154-161 |
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The structure of monticellite (Mg Ca Si O4). |
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_cod_database_code 1011202 |
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_database_code_amcsd 0018072 |
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4.815 11.08 6.37 90 90 90 Pbnm |
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atom x y z |
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Mg1 0 0 0 |
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Ca1 -.017 .257 .25 |
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Si1 .403 .086 .25 |
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O1 -.236 .067 .25 |
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O2 .264 .464 .25 |
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O3 .25 .153 .03 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
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Monticellite |
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Kimata M, Nishida N |
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Neues Jahrbuch fur Mineralogie, Monatshefte 1987 (1987) 160-170 |
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The crystal structure of Co-monticellite Ca1.255Co0.745SiO4 and |
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its significance as a solid solution crystal |
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Note: sample is synthetic |
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_database_code_amcsd 0014814 |
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4.866 11.150 6.453 90 90 90 Pbnm |
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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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Ca1 0 0 0 .255 .00708 .00143 .00403 -.00016 .00130 -.00034 |
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Co1 0 0 0 .745 .00708 .00143 .00403 -.00016 .00130 -.00034 |
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Ca2 .97936 .27692 .25 .00909 .00120 .00421 .00020 0 0 |
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Si .41477 .08390 .25 .00662 .00142 .00475 .00019 0 0 |
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O1 .74771 .08083 .25 .00701 .00210 .00822 .00007 0 0 |
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O2 .23605 .45087 .25 .00959 .00153 .00785 -.00074 0 0 |
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O3 .28073 .15063 .04801 .01151 .00182 .00456 .00051 .00115 .00065 |
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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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