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Mozartite |
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Nyfeler D, Hoffmann C, Armbruster T, Kunz M, Libowitzky E |
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American Mineralogist 82 (1997) 841-848 |
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Orthorhombic Jahn-Teller distortion and Si-OH in mozartite, CaMnO[SiO3OH]: A |
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single-crystal X-ray, FTIR, and structure modeling study |
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Sample: at T = 100 K |
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_database_code_amcsd 0001931 |
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5.837 7.211 8.693 90 90 90 P2_12_12_1 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca .02238 .37501 .67430 .0040 .0035 .0034 .0001 .0002 .0008 |
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Mn .74729 .25758 -.00353 .00218 .00282 .0030 -.0003 .0004 -.0001 |
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Si .5104 .63076 .8168 .0023 .0027 .0026 -.0006 -.0002 .0005 |
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H .030 .583 .033 .04 |
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O1 .4894 .4536 .9338 .0033 .0040 .0038 .0005 .0002 .0001 |
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O2 .0741 .7006 .0619 .0061 .0034 .0051 -.0002 -.0009 -.0015 |
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O3 .2708 .6578 .7220 .0025 .0042 .0034 .0008 -.0002 .0008 |
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O4 .7379 .6217 .7067 .0036 .0056 .0034 .0011 .0001 .0006 |
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O5 .0032 .3951 -.0601 .0031 .0038 .0047 -.0004 -.0008 .0003 |
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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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Mozartite |
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Nyfeler D, Hoffmann C, Armbruster T, Kunz M, Libowitzky E |
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American Mineralogist 82 (1997) 841-848 |
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Orthorhombic Jahn-Teller distortion and Si-OH in mozartite, CaMnO[SiO3OH]: A |
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single-crystal X-ray, FTIR, and structure modeling study |
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Sample: at T = 300 K |
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_database_code_amcsd 0001932 |
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5.842 7.228 8.704 90 90 90 P2_12_12_1 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca .0219 .37462 .67420 .0090 .0072 .0059 .0006 0 .0016 |
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Mn .7473 .25740 -.00342 .0040 .0059 .0049 -.0003 .0001 -.0004 |
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Si .5102 .6301 .81659 .0037 .0054 .0050 .0003 0 0 |
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H .030 .583 .042 .07 |
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O1 .4898 .4535 .9332 .0064 .0070 .0066 .0003 .0005 .0006 |
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O2 .0716 .7020 .0624 .0130 .0061 .0092 -.0004 .0010 -.0018 |
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O3 .2714 .6573 .7222 .0045 .0076 .0070 .0004 -.0003 .0019 |
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O4 .7373 .6223 .7068 .0057 .0089 .0063 .0020 .0007 .0008 |
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O5 .0028 .3944 .9391 .0042 .0058 .0067 .0004 -.0012 .0014 |
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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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Mozartite |
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Nyfeler D, Hoffmann C, Armbruster T, Kunz M, Libowitzky E |
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American Mineralogist 82 (1997) 841-848 |
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Orthorhombic Jahn-Teller distortion and Si-OH in mozartite, CaMnO[SiO3OH]: A |
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single-crystal X-ray, FTIR, and structure modeling study |
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Sample: at T = 500 K |
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_database_code_amcsd 0001933 |
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5.846 7.248 8.726 90 90 90 P2_12_12_1 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca .0210 .3746 .67425 .0156 .0125 .0085 .0008 .0004 .0019 |
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Mn .7477 .25699 -.00342 .0058 .0083 .0059 -.0005 .0007 -.0004 |
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Si .5096 .6290 .8163 .0072 .0082 .0069 -.0006 .0002 .0006 |
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H .060 .579 .031 .08 |
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O1 .4907 .4531 .9333 .0106 .0095 .0096 .001 .001 .0017 |
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O2 .0676 .7026 .0627 .023 .010 .013 .0002 .001 -.0047 |
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O3 .2721 .6552 .7219 .005 .016 .011 .0008 -.0015 .0009 |
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O4 .7368 .6221 .7072 .012 .015 .007 .003 .0010 .0014 |
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O5 .0027 .3933 -.0610 .0071 .0089 .010 -.001 -.002 .0005 |
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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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Mozartite |
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Basso R, Lucchetti G, Zefiro L, Palenzona A |
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The Canadian Mineralogist 31 (1993) 331-336 |
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Mozartite, CaMn(OH)SiO4, a new mineral species from the Cerchiara Mine, |
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Northern Apennines, Italy |
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Locality: Cerchiara Mine, Northern Apennines, Italy |
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_database_code_amcsd 0005299 |
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5.838 7.224 8.690 90 90 90 P2_12_12_1 |
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atom x y z occ Uiso |
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Ca .0216 .3748 .6741 .0072 |
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Mn .7468 .257 .9964 .94 .0043 |
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Al .7468 .257 .9964 .06 .0043 |
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Si .5103 .6307 .8164 .0054 |
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O1 .4913 .4534 .9336 .0060 |
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O2 .5716 .7995 .9397 .0085 |
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O3 .2729 .6586 .7218 .0062 |
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O4 .7388 .6234 .7068 .0070 |
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O5 .0033 .3943 .9414 .0056 |
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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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