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Ingersonite |
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Bonazzi P, Bindi L |
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American Mineralogist 92 (2007) 947-953 |
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The crystal structure of ingersonite, Ca3Mn2+Sb5+4O14, and its relationships with |
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pyrochlore |
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Locality: Langban mine, Varmland, Sweden |
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_database_code_amcsd 0004361 |
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7.282 7.282 17.604 90 90 120 P3_121 |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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CaA1 0 .8444 2/3 .0080 .0064 .0091 .0076 .0032 -.0013 -.0006 |
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MnA2 .8355 0 5/6 .0173 .0236 .0260 .0029 .0130 .0024 .0048 |
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CaA3 .4989 .3518 .66075 .0090 .0105 .0079 .0093 .0051 -.0009 .0022 |
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SbB1 .31881 0 1/3 .00320 .0044 .0037 .0012 .00186 -.00007 -.00015 |
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SbB2 .32968 0 5/6 .983 .00347 .0042 .0037 .0023 .00185 -.00012 -.0002 |
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MgB2 .32968 0 5/6 .017 .00347 .0042 .0037 .0023 .00185 -.00012 -.0002 |
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SbB3 .33428 .5019 .83499 .00299 .00389 .00344 .00215 .00221 -.00014 -.00003 |
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O1 .1989 .2199 .1471 .0096 .0060 .0120 .0112 .0052 -.0002 -.0013 |
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O2 .5543 .6091 .2034 .0107 .0176 .0081 .0086 .0080 -.0050 -.0017 |
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O3 .1975 .6399 .1489 .0092 .0050 .0079 .0106 .0001 -.0010 .0003 |
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O4 -.0399 .3091 .0573 .0082 .0096 .0093 .0058 .0049 -.0006 -.0007 |
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O5 -.0541 .8050 .0566 .0071 .0051 .0099 .0053 .0029 -.0021 -.0010 |
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O6 .5437 .4046 .0560 .0073 .0085 .0081 .0032 .0026 .0015 .0015 |
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O7 .5347 .7988 .0599 .0073 .0137 .0084 .0037 .0084 .0022 .0000 |
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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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Ingersonite |
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Zanazzi P F, Chelazzi L, Bonazzi P, Bindi L |
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American Mineralogist 94 (2009) 352-358 |
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High-pressure structural behavior of ingersonite, Ca3Mn2+Sb45+O14: |
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An in-situ single-crystal X-ray study |
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Locality: Langban mine, Varmland, Sweden |
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Note: P = 0.0001 GPa |
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_database_code_amcsd 0004848 |
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7.279 7.279 17.667 90 90 120 P3_121 |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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SbB1 .3205 0 1/3 .0090 .0113 .0082 .0063 .0041 .0002 .0003 |
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SbB2 .3306 0 5/6 .96 .0101 .0106 .0106 .0091 .0053 -.0001 -.0001 |
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MgB2 .3306 0 5/6 .04 .0101 .0106 .0106 .0091 .0053 -.0001 -.0001 |
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SbB3 .3340 .5031 .8348 .96 .0071 .0083 .0074 .0064 .0045 .0007 .0003 |
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MgB3 .3340 .5031 .8348 .04 .0071 .0083 .0074 .0064 .0045 .0007 .0003 |
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CaA1 0 .843 2/3 .92 .014 .006 .019 .013 .0028 -.001 -.0004 |
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MnA1 0 .843 2/3 .08 .014 .006 .019 .013 .0028 -.001 -.0004 |
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MnA2 .839 0 5/6 .92 .0193 .024 .028 .008 .0142 .0037 .008 |
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SbA2 .839 0 5/6 .08 .0193 .024 .028 .008 .0142 .0037 .008 |
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CaA3 .498 .3492 .6615 .94 .0132 .010 .012 .013 .003 -.002 .001 |
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MnA3 .498 .3492 .6615 .06 .0132 .010 .012 .013 .003 -.002 .001 |
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O1 .203 .217 .1469 .024 .018 .040 .020 .019 .003 .004 |
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O2 .549 .609 .2028 .029 .060 .040 .009 .040 .003 .002 |
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O3 .194 .638 .1482 .018 .003 .021 .018 -.004 -.002 .001 |
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O4 -.037 .310 .0561 .020 .023 .023 .018 .014 -.004 -.007 |
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O5 -.056 .801 .0564 .015 .016 .020 .018 -.004 -.002 .002 |
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O6 .539 .402 .0557 .017 .014 .021 .012 .005 -.005 .002 |
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O7 .540 .803 .0595 .015 .023 .012 .015 .013 .003 .002 |
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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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Ingersonite |
|
Zanazzi P F, Chelazzi L, Bonazzi P, Bindi L |
|
American Mineralogist 94 (2009) 352-358 |
|
High-pressure structural behavior of ingersonite, Ca3Mn2+Sb45+O14: |
|
An in-situ single-crystal X-ray study |
|
Locality: Langban mine, Varmland, Sweden |
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Note: P = 2.25 GPa |
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_database_code_amcsd 0004849 |
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7.243 7.243 17.570 90 90 120 P3_121 |
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atom x y z occ Uiso |
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SbB1 .3193 0 1/3 .012 |
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SbB2 .3298 0 5/6 .96 .010 |
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MgB2 .3298 0 5/6 .04 .010 |
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SbB3 .3351 .5002 .8354 .96 .0079 |
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MgB3 .3351 .5002 .8354 .04 .0079 |
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CaA1 0 .842 2/3 .92 .013 |
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MnA1 0 .842 2/3 .08 .013 |
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MnA2 .829 0 5/6 .92 .024 |
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SbA2 .829 0 5/6 .08 .024 |
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CaA3 .496 .3457 .6619 .94 .014 |
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MnA3 .496 .3457 .6619 .06 .014 |
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O1 .198 .210 .144 .031 |
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O2 .561 .609 .199 .017 |
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O3 .194 .636 .1609 .037 |
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O4 -.028 .313 .056 .024 |
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O5 -.056 .798 .069 .036 |
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O6 .533 .399 .049 .008 |
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O7 .542 .815 .070 .021 |
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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) |
| |
|
Ingersonite |
|
Zanazzi P F, Chelazzi L, Bonazzi P, Bindi L |
|
American Mineralogist 94 (2009) 352-358 |
|
High-pressure structural behavior of ingersonite, Ca3Mn2+Sb45+O14: |
|
An in-situ single-crystal X-ray study |
|
Locality: Langban mine, Varmland, Sweden |
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Note: P = 4.23 GPa |
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_database_code_amcsd 0004850 |
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7.218 7.218 17.510 90 90 120 P3_121 |
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atom x y z occ Uiso |
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SbB1 .3185 1 1/3 .016 |
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SbB2 .3271 0 5/6 .96 .013 |
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MgB2 .3271 0 5/6 .04 .013 |
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SbB3 .3362 .5035 .8351 .96 .014 |
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MgB3 .3362 .5035 .8351 .04 .014 |
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CaA1 0 .839 2/3 .92 .014 |
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MnA1 0 .839 2/3 .08 .014 |
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MnA2 .834 0 5/6 .92 .030 |
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SbA2 .834 0 5/6 .08 .030 |
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CaA3 .487 .342 .662 .94 .023 |
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MnA3 .487 .342 .662 .06 .023 |
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O1 .199 .220 .151 .027 |
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O2 .553 .604 .197 .019 |
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O3 .191 .634 .164 .06 |
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O4 -.030 .317 .053 .026 |
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O5 -.048 .797 .065 .033 |
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O6 .527 .401 .053 .008 |
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O7 .553 .825 .065 .018 |
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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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Ingersonite |
|
Zanazzi P F, Chelazzi L, Bonazzi P, Bindi L |
|
American Mineralogist 94 (2009) 352-358 |
|
High-pressure structural behavior of ingersonite, Ca3Mn2+Sb45+O14: |
|
An in-situ single-crystal X-ray study |
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Locality: Langban mine, Varmland, Sweden |
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Note: P = 5.41 GPa |
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_database_code_amcsd 0004851 |
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7.204 7.204 17.450 90 90 120 P3_121 |
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atom x y z occ Uiso |
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SbB1 .3170 0 1/3 .018 |
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SbB2 .3279 0 5/6 .96 .0142 |
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MgB2 .3279 0 5/6 .04 .0142 |
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SbB3 .3368 .5006 .8360 .96 .0132 |
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MgB3 .3368 .5006 .8360 .04 .0132 |
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CaA1 0 .832 2/3 .92 .007 |
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MnA1 0 .832 2/3 .08 .007 |
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MnA2 .829 0 5/6 .92 .019 |
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SbA2 .829 0 5/6 .08 .019 |
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CaA3 .487 .344 .6652 .94 .010 |
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MnA3 .487 .344 .6652 .06 .010 |
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O1 .201 .212 .151 .012 |
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O2 .565 .605 .193 .034 |
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O3 .188 .628 .161 .027 |
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O4 -.024 .322 .048 .037 |
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O5 -.044 .811 .062 .030 |
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O6 .540 .399 .041 .005 |
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O7 .537 .801 .068 .031 |
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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) |
| |
|
Ingersonite |
|
Zanazzi P F, Chelazzi L, Bonazzi P, Bindi L |
|
American Mineralogist 94 (2009) 352-358 |
|
High-pressure structural behavior of ingersonite, Ca3Mn2+Sb45+O14: |
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An in-situ single-crystal X-ray study |
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Locality: Langban mine, Varmland, Sweden |
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Note: P = 6.38 GPa |
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_database_code_amcsd 0004852 |
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7.182 7.182 17.465 90 90 120 P3_121 |
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atom x y z occ Uiso |
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SbB1 .3188 0 1/3 .004 |
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SbB2 .3303 0 5/6 .96 .0085 |
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MgB2 .3303 0 5/6 .04 .0085 |
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SbB3 .3360 .5001 .8343 .96 .0033 |
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MgB3 .3360 .5001 .8343 .04 .0033 |
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CaA1 0 .840 2/3 .92 .018 |
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MnA1 0 .840 2/3 .08 .018 |
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MnA2 .826 0 5/6 .92 .025 |
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SbA2 .826 0 5/6 .08 .025 |
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CaA3 .491 .348 .6623 .94 .015 |
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MnA3 .491 .348 .6623 .06 .015 |
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O1 .197 .202 .153 .037 |
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O2 .559 .609 .188 .026 |
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O3 .191 .628 .154 .022 |
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O4 -.035 .304 .047 .021 |
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O5 -.052 .802 .068 .018 |
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O6 .536 .400 .042 .017 |
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O7 .552 .816 .068 .017 |
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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) |
| |
|
Ingersonite |
|
Zanazzi P F, Chelazzi L, Bonazzi P, Bindi L |
|
American Mineralogist 94 (2009) 352-358 |
|
High-pressure structural behavior of ingersonite, Ca3Mn2+Sb45+O14: |
|
An in-situ single-crystal X-ray study |
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Locality: Langban mine, Varmland, Sweden |
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Note: P = 7.42 GPa |
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_database_code_amcsd 0004853 |
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7.170 7.170 17.406 90 90 120 P3_121 |
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atom x y z occ Uiso |
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SbB1 .3191 0 1/3 .015 |
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SbB2 .3313 0 5/6 .96 .016 |
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MgB2 .3313 0 5/6 .04 .016 |
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SbB3 .3364 .4986 .8340 .96 .0114 |
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MgB3 .3364 .4986 .8340 .04 .0114 |
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CaA1 0 .844 2/3 .92 .018 |
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MnA1 0 .844 2/3 .08 .018 |
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MnA2 .827 0 5/6 .92 .026 |
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SbA2 .827 0 5/6 .08 .026 |
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CaA3 .500 .349 .659 .94 .025 |
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MnA3 .500 .349 .659 .06 .025 |
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O1 .199 .203 .145 .023 |
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O2 .545 .605 .172 .05 |
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O3 .197 .637 .151 .07 |
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O4 -.046 .293 .045 .029 |
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O5 -.044 .799 .054 .017 |
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O6 .534 .406 .042 .011 |
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O7 .559 .819 .074 .031 |
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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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