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Rhodocrosite |
| |
Merlini M, Hanfland M, Gemmi M |
| |
American Mineralogist 100 (2015) 2625-2629 |
|
The MnCO3-II high-pressure polymorph of rhodocrosite |
|
Note: Sample run1-p0 |
|
Note: P = .0001 GPa |
|
Locality: Sardegna, Italy |
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_database_code_amcsd 0020341 |
|
4.7903 4.7903 15.72 90 90 120 R-3c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mn1 0 0 0 .96 .0140 .0106 .0106 .0207 .0053 0 0 |
|
Ca1 0 0 0 .04 .0140 .0106 .0106 .0207 .0053 0 0 |
|
C1 0 0 .25 .008 |
|
O .2667 0 .25 .015 .011 .019 .019 .009 -.0011 -.002 |
|
|
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|
| |
|
Rhodocrosite |
| |
Merlini M, Hanfland M, Gemmi M |
| |
American Mineralogist 100 (2015) 2625-2629 |
|
The MnCO3-II high-pressure polymorph of rhodocrosite |
|
Note: Sample run1-p1 |
|
Note: P = 22.50 GPa |
|
Locality: Sardegna, Italy |
|
_database_code_amcsd 0020342 |
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4.6581 4.6581 14.213 90 90 120 R-3c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mn1 0 0 0 .96 .0290 .0244 .0244 .038 .0122 0 0 |
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Ca1 0 0 0 .04 .0290 .0244 .0244 .038 .0122 0 0 |
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C1 0 0 .25 .025 |
|
O .2721 0 .25 .031 .023 .030 .044 .015 -.0052 -.010 |
|
|
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|
| |
|
Rhodocrosite |
| |
Merlini M, Hanfland M, Gemmi M |
| |
American Mineralogist 100 (2015) 2625-2629 |
|
The MnCO3-II high-pressure polymorph of rhodocrosite |
|
Note: Sample run1-p2 |
|
Note: P = 23.65 GPa |
|
Locality: Sardegna, Italy |
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_database_code_amcsd 0020343 |
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4.6554 4.6554 14.149 90 90 120 R-3c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mn1 0 0 0 .96 .0164 .0151 .0151 .019 .0076 0 0 |
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Ca1 0 0 0 .04 .0164 .0151 .0151 .019 .0076 0 0 |
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C1 0 0 .25 .013 |
|
O .272 0 .25 .019 .012 .024 .025 .012 -.0008 -.002 |
|
|
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|
| |
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Rhodocrosite |
| |
Merlini M, Hanfland M, Gemmi M |
| |
American Mineralogist 100 (2015) 2625-2629 |
|
The MnCO3-II high-pressure polymorph of rhodocrosite |
|
Note: Sample run1-p3 |
|
Note: P = 25.34 GPa |
|
Locality: Sardegna, Italy |
|
_database_code_amcsd 0020344 |
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4.6473 4.6473 14.075 90 90 120 R-3c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mn1 0 0 0 .96 .0280 .0237 .0237 .037 .0119 0 0 |
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Ca1 0 0 0 .04 .0280 .0237 .0237 .037 .0119 0 0 |
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C1 0 0 .25 .021 |
|
O .2713 0 .25 .030 .018 .027 .049 .013 -.0028 -.006 |
|
|
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|
| |
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Rhodocrosite |
| |
Merlini M, Hanfland M, Gemmi M |
| |
American Mineralogist 100 (2015) 2625-2629 |
|
The MnCO3-II high-pressure polymorph of rhodocrosite |
|
Note: Sample run1-p4 |
|
Note: P = 27.45 GPa |
|
Locality: Sardegna, Italy |
|
_database_code_amcsd 0020345 |
|
4.6416 4.6416 13.967 90 90 120 R-3c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mn1 0 0 0 .96 .0255 .0225 .0225 .0315 .0112 0 0 |
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Ca1 0 0 0 .04 .0255 .0225 .0225 .0315 .0112 0 0 |
|
C1 0 0 .25 .020 |
|
O .2705 0 .25 .026 .017 .026 .040 .0128 -.0017 -.003 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Rhodocrosite |
| |
Merlini M, Hanfland M, Gemmi M |
| |
American Mineralogist 100 (2015) 2625-2629 |
|
The MnCO3-II high-pressure polymorph of rhodocrosite |
|
Note: Sample run1-p5 |
|
Note: P = 30.48 GPa |
|
Locality: Sardegna, Italy |
|
_database_code_amcsd 0020346 |
|
4.6301 4.6301 13.830 90 90 120 R-3c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mn1 0 0 0 .96 .0191 .0160 .0160 .0252 .0080 0 0 |
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Ca1 0 0 0 .04 .0191 .0160 .0160 .0252 .0080 0 0 |
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C1 0 0 .25 .014 |
|
O .2704 0 .25 .023 .015 .026 .031 .013 .0030 .006 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Rhodocrosite |
| |
Merlini M, Hanfland M, Gemmi M |
| |
American Mineralogist 100 (2015) 2625-2629 |
|
The MnCO3-II high-pressure polymorph of rhodocrosite |
|
Note: Sample run1-p6 |
|
Note: P = 31.19 GPa |
|
Locality: Sardegna, Italy |
|
_database_code_amcsd 0020347 |
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4.6278 4.6278 13.797 90 90 120 R-3c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mn1 0 0 0 .96 .0175 .0157 .0157 .0211 .0078 0 0 |
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Ca1 0 0 0 .04 .0175 .0157 .0157 .0211 .0078 0 0 |
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C1 0 0 .25 .0125 |
|
O .2715 0 .25 .020 .0139 .023 .027 .0114 .0008 .002 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Rhodocrosite |
| |
Merlini M, Hanfland M, Gemmi M |
| |
American Mineralogist 100 (2015) 2625-2629 |
|
The MnCO3-II high-pressure polymorph of rhodocrosite |
|
Note: Sample run1-p7 |
|
Note: P = 33.56 GPa |
|
Locality: Sardegna, Italy |
|
_database_code_amcsd 0020348 |
|
4.6193 4.6193 13.696 90 90 120 R-3c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mn1 0 0 0 .96 .0190 .0184 .0184 .0201 .0092 0 0 |
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Ca1 0 0 0 .04 .0190 .0184 .0184 .0201 .0092 0 0 |
|
C1 0 0 .25 .0120 |
|
O .2728 0 .25 .022 .017 .018 .032 .0090 -.0014 -.003 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
|
| |
|
Rhodocrosite |
| |
Merlini M, Hanfland M, Gemmi M |
| |
American Mineralogist 100 (2015) 2625-2629 |
|
The MnCO3-II high-pressure polymorph of rhodocrosite |
|
Note: Sample run1-p8 |
|
Note: P = 36.20 GPa |
|
Locality: Sardegna, Italy |
|
_database_code_amcsd 0020349 |
|
4.6100 4.6100 13.582 90 90 120 R-3c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mn1 0 0 0 .96 .0198 .0186 .0186 .0222 .0093 0 0 |
|
Ca1 0 0 0 .04 .0198 .0186 .0186 .0222 .0093 0 0 |
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C1 0 0 .25 .017 |
|
O .2715 0 .25 .029 .019 .027 .044 .013 -.0027 -.005 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
|
| |
|
Rhodocrosite |
| |
Merlini M, Hanfland M, Gemmi M |
| |
American Mineralogist 100 (2015) 2625-2629 |
|
The MnCO3-II high-pressure polymorph of rhodocrosite |
|
Note: Sample run1-p9 |
|
Note: P = 37.58 GPa |
|
Locality: Sardegna, Italy |
|
_database_code_amcsd 0020350 |
|
4.6024 4.6024 13.517 90 90 120 R-3c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mn1 0 0 0 .96 .0190 .0171 .0171 .023 .0085 0 0 |
|
Ca1 0 0 0 .04 .0190 .0171 .0171 .023 .0085 0 0 |
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C1 0 0 .25 .018 |
|
O .2716 0 .25 .028 .015 .031 .043 .015 -.0032 -.006 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
|
| |
|
Rhodocrosite |
| |
Merlini M, Hanfland M, Gemmi M |
| |
American Mineralogist 100 (2015) 2625-2629 |
|
The MnCO3-II high-pressure polymorph of rhodocrosite |
|
Note: Sample run1-p10 |
|
Note: P = 40.80 GPa |
|
Locality: Sardegna, Italy |
|
_database_code_amcsd 0020351 |
|
4.5927 4.5927 13.332 90 90 120 R-3c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mn1 0 0 0 .96 .0265 .0203 .0203 .039 .0101 0 0 |
|
Ca1 0 0 0 .04 .0265 .0203 .0203 .039 .0101 0 0 |
|
C1 0 0 .25 .021 |
|
O .2723 0 .25 .034 .021 .051 .040 .026 -.012 -.025 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
|
| |
|
Rhodocrosite |
| |
Merlini M, Hanfland M, Gemmi M |
| |
American Mineralogist 100 (2015) 2625-2629 |
|
The MnCO3-II high-pressure polymorph of rhodocrosite |
|
Note: Sample run1-p11 |
|
Note: P = 44.46 GPa |
|
Locality: Sardegna, Italy |
|
_database_code_amcsd 0020352 |
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2.936 4.841 5.568 100.82 94.93 90.18 P-1 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mn1 .197 .3078 .7281 .96 .017 .013 .018 .021 .004 .001 .005 |
|
Ca1 .197 .3078 .7281 .04 .017 .013 .018 .021 .004 .001 .005 |
|
C1 .567 .800 .770 .007 |
|
O1 .734 .064 .825 .009 |
|
O2 .721 .614 .875 .014 |
|
O3 -.295 .253 .420 .015 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Rhodocrosite |
| |
Merlini M, Hanfland M, Gemmi M |
| |
American Mineralogist 100 (2015) 2625-2629 |
|
The MnCO3-II high-pressure polymorph of rhodocrosite |
|
Note: Sample run1-p11a |
|
Note: P = 46.79 GPa |
|
Locality: Sardegna, Italy |
|
_database_code_amcsd 0020353 |
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2.928 4.816 5.545 101.71 94.99 89.90 P-1 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mn1 .199 .3067 .7244 .96 .012 .019 .005 .016 -.001 .010 .003 |
|
Ca1 .199 .3067 .7244 .04 .012 .019 .005 .016 -.001 .010 .003 |
|
C1 .575 .788 .760 .010 |
|
O1 .697 .045 .849 .021 |
|
O2 .716 .595 .880 .002 |
|
O3 -.335 .236 .436 .015 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Rhodocrosite |
| |
Merlini M, Hanfland M, Gemmi M |
| |
American Mineralogist 100 (2015) 2625-2629 |
|
The MnCO3-II high-pressure polymorph of rhodocrosite |
|
Note: Sample run1-p12 |
|
Note: P = 44.01 GPa |
|
Locality: Sardegna, Italy |
|
_database_code_amcsd 0020354 |
|
2.934 4.839 5.557 101.87 95.29 89.73 P-1 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mn1 .193 .303 .7264 .96 .026 .030 .026 .021 .011 .005 .003 |
|
Ca1 .193 .303 .7264 .04 .026 .030 .026 .021 .011 .005 .003 |
|
C1 .589 .804 .766 .032 |
|
O1 .693 .042 .855 .022 |
|
O2 .719 .608 .867 .004 |
|
O3 -.350 .233 .436 .024 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
|
| |
|
Rhodocrosite |
| |
Merlini M, Hanfland M, Gemmi M |
| |
American Mineralogist 100 (2015) 2625-2629 |
|
The MnCO3-II high-pressure polymorph of rhodocrosite |
|
Note: Sample run1-p13 |
|
Note: P = 41.55 GPa |
|
Locality: Sardegna, Italy |
|
_database_code_amcsd 0020355 |
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2.940 4.856 5.584 101.99 95.58 89.65 P-1 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mn1 .195 .306 .7257 .96 .037 .046 .040 .020 .025 -.001 -.004 |
|
Ca1 .195 .306 .7257 .04 .037 .046 .040 .020 .025 -.001 -.004 |
|
C1 .635 .846 .735 .022 |
|
O1 .70 .048 .846 .030 |
|
O2 .729 .617 .863 .006 |
|
O3 -.337 .242 .431 .018 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
|
| |
|
Rhodocrosite |
| |
Merlini M, Hanfland M, Gemmi M |
| |
American Mineralogist 100 (2015) 2625-2629 |
|
The MnCO3-II high-pressure polymorph of rhodocrosite |
|
Note: Sample run1-p14 |
|
Note: P = 35.67 GPa |
|
Locality: Sardegna, Italy |
|
_database_code_amcsd 0020356 |
|
2.9539 4.843 5.588 101.78 95.09 90.45 P-1 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mn1 .199 .307 .7262 .96 .036 .042 .031 .024 .021 -.015 -.011 |
|
Ca1 .199 .307 .7262 .04 .036 .042 .031 .024 .021 -.015 -.011 |
|
C1 .59 .812 .780 .030 |
|
O1 .68 .038 .845 .025 |
|
O2 .704 .599 .866 .004 |
|
O3 -.313 .266 .434 .013 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Rhodocrosite |
| |
Merlini M, Hanfland M, Gemmi M |
| |
American Mineralogist 100 (2015) 2625-2629 |
|
The MnCO3-II high-pressure polymorph of rhodocrosite |
|
Note: Sample run2-p0 |
|
Note: P = .0001 GPa |
|
Locality: Sardegna, Italy |
|
_database_code_amcsd 0020357 |
|
4.7799 4.7799 15.694 90 90 120 R-3c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mn1 0 0 0 .96 .0148 .0118 .0118 .0207 .0059 0 0 |
|
Ca1 0 0 0 .04 .0148 .0118 .0118 .0207 .0059 0 0 |
|
C1 0 0 .25 .011 |
|
O1 .2684 0 .25 .016 .008 .009 .031 .0044 -.0016 -.003 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
|
| |
|
Rhodocrosite |
| |
Merlini M, Hanfland M, Gemmi M |
| |
American Mineralogist 100 (2015) 2625-2629 |
|
The MnCO3-II high-pressure polymorph of rhodocrosite |
|
Note: Sample run2-p1 |
|
Note: P = .22 GPa |
|
Locality: Sardegna, Italy |
|
_database_code_amcsd 0020358 |
|
4.7788 4.7788 15.685 90 90 120 R-3c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mn1 0 0 0 .96 .0111 .0097 .0097 .0140 .0048 0 0 |
|
Ca1 0 0 0 .04 .0111 .0097 .0097 .0140 .0048 0 0 |
|
C1 0 0 .25 .0063 |
|
O1 .2689 0 .25 .0120 .0096 .011 .016 .0053 -.0010 -.0020 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
|
| |
|
Rhodocrosite |
| |
Merlini M, Hanfland M, Gemmi M |
| |
American Mineralogist 100 (2015) 2625-2629 |
|
The MnCO3-II high-pressure polymorph of rhodocrosite |
|
Note: Sample run2-p2 |
|
Note: P = .79 GPa |
|
Locality: Sardegna, Italy |
|
_database_code_amcsd 0020359 |
|
4.7753 4.7753 15.6360 90 90 120 R-3c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mn1 0 0 0 .96 .0115 .0093 .0093 .0159 .0046 0 0 |
|
Ca1 0 0 0 .04 .0115 .0093 .0093 .0159 .0046 0 0 |
|
C1 0 0 .25 .0102 |
|
O1 .2683 0 .25 .0120 .0084 .011 .017 .0056 .0002 .0004 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
|
| |
|
Rhodocrosite |
| |
Merlini M, Hanfland M, Gemmi M |
| |
American Mineralogist 100 (2015) 2625-2629 |
|
The MnCO3-II high-pressure polymorph of rhodocrosite |
|
Note: Sample run2-p3 |
|
Note: P = 1.62 GPa |
|
Locality: Sardegna, Italy |
|
_database_code_amcsd 0020360 |
|
4.7714 4.7714 15.578 90 90 120 R-3c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mn1 0 0 0 .96 .0114 .0093 .0093 .0155 .0046 0 0 |
|
Ca1 0 0 0 .04 .0114 .0093 .0093 .0155 .0046 0 0 |
|
C1 0 0 .25 .0085 |
|
O1 .2681 0 .25 .0116 .0081 .013 .015 .0066 .0006 .0012 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
|
| |
|
Rhodocrosite |
| |
Merlini M, Hanfland M, Gemmi M |
| |
American Mineralogist 100 (2015) 2625-2629 |
|
The MnCO3-II high-pressure polymorph of rhodocrosite |
|
Note: Sample run2-p4 |
|
Note: P = 2.12 GPa |
|
Locality: Sardegna, Italy |
|
_database_code_amcsd 0020361 |
|
4.7654 4.7654 15.531 90 90 120 R-3c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mn1 0 0 0 .96 .0119 .0095 .0095 .0168 .0047 0 0 |
|
Ca1 0 0 0 .04 .0119 .0095 .0095 .0168 .0047 0 0 |
|
C1 0 0 .25 .0089 |
|
O1 .2684 0 .25 .0115 .0087 .013 .014 .0067 .0001 .0001 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
|
| |
|
Rhodocrosite |
| |
Merlini M, Hanfland M, Gemmi M |
| |
American Mineralogist 100 (2015) 2625-2629 |
|
The MnCO3-II high-pressure polymorph of rhodocrosite |
|
Note: Sample run2-p5 |
|
Note: P = 2.66 GPa |
|
Locality: Sardegna, Italy |
|
_database_code_amcsd 0020362 |
|
4.7581 4.7581 15.473 90 90 120 R-3c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mn1 0 0 0 .96 .0122 .0101 .0101 .0165 .0050 0 0 |
|
Ca1 0 0 0 .04 .0122 .0101 .0101 .0165 .0050 0 0 |
|
C1 0 0 .25 .009 |
|
O1 .2689 0 .25 .012 .0079 .010 .020 .0052 -.0005 -.001 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Rhodocrosite |
| |
Merlini M, Hanfland M, Gemmi M |
| |
American Mineralogist 100 (2015) 2625-2629 |
|
The MnCO3-II high-pressure polymorph of rhodocrosite |
|
Note: Sample run2-p6 |
|
Note: P = 3.57 GPa |
|
Locality: Sardegna, Italy |
|
_database_code_amcsd 0020363 |
|
4.7426 4.7426 15.368 90 90 120 R-3c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mn1 0 0 0 .96 .0115 .0114 .0114 .012 .0057 0 0 |
|
Ca1 0 0 0 .04 .0115 .0114 .0114 .012 .0057 0 0 |
|
C1 0 0 .25 .013 |
|
O1 .269 0 .25 .013 .011 .014 .014 .0072 -.0006 -.001 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
|
| |
|
Rhodocrosite |
| |
Merlini M, Hanfland M, Gemmi M |
| |
American Mineralogist 100 (2015) 2625-2629 |
|
The MnCO3-II high-pressure polymorph of rhodocrosite |
|
Note: Sample run2-p7 |
|
Note: P = 4.39 GPa |
|
Locality: Sardegna, Italy |
|
_database_code_amcsd 0020364 |
|
4.7409 4.7409 15.319 90 90 120 R-3c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mn1 0 0 0 .96 .0114 .0101 .0101 .0140 .0050 0 0 |
|
Ca1 0 0 0 .04 .0114 .0101 .0101 .0140 .0050 0 0 |
|
C1 0 0 .25 .011 |
|
O1 .269 0 .25 .0112 .0109 .010 .013 .0049 -.0009 -.0017 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
|
| |
|
Rhodocrosite |
| |
Merlini M, Hanfland M, Gemmi M |
| |
American Mineralogist 100 (2015) 2625-2629 |
|
The MnCO3-II high-pressure polymorph of rhodocrosite |
|
Note: Sample run2-p8 |
|
Note: P = 4.74 GPa |
|
Locality: Sardegna, Italy |
|
_database_code_amcsd 0020365 |
|
4.7415 4.7415 15.308 90 90 120 R-3c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mn1 0 0 0 .96 .0122 .0126 .0126 .011 .0063 0 0 |
|
Ca1 0 0 0 .04 .0122 .0126 .0126 .011 .0063 0 0 |
|
C1 0 0 .25 .015 |
|
O1 .2697 0 .25 .012 .009 .009 .017 .004 -.0006 -.001 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
|
| |
|
Rhodocrosite |
| |
Merlini M, Hanfland M, Gemmi M |
| |
American Mineralogist 100 (2015) 2625-2629 |
|
The MnCO3-II high-pressure polymorph of rhodocrosite |
|
Note: Sample run2-p9 |
|
Note: P = 5.20 GPa |
|
Locality: Sardegna, Italy |
|
_database_code_amcsd 0020366 |
|
4.7388 4.7388 15.287 90 90 120 R-3c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mn1 0 0 0 .96 .0139 .0133 .0133 .0151 .0066 0 0 |
|
Ca1 0 0 0 .04 .0139 .0133 .0133 .0151 .0066 0 0 |
|
C1 0 0 .25 .012 |
|
O1 .2684 0 .25 .014 .011 .010 .022 .0052 .0006 .001 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
|
| |
|
Rhodocrosite |
| |
Merlini M, Hanfland M, Gemmi M |
| |
American Mineralogist 100 (2015) 2625-2629 |
|
The MnCO3-II high-pressure polymorph of rhodocrosite |
|
Note: Sample run2-p10 |
|
Note: P = 6.33 GPa |
|
Locality: Sardegna, Italy |
|
_database_code_amcsd 0020367 |
|
4.7332 4.7332 15.1926 90 90 120 R-3c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mn1 0 0 0 .96 .0134 .0164 .0164 .008 .0082 0 0 |
|
Ca1 0 0 0 .04 .0134 .0164 .0164 .008 .0082 0 0 |
|
C1 0 0 .25 .009 |
|
O1 .2701 0 .25 .013 .013 .006 .017 .0030 -.0016 -.003 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Rhodocrosite |
| |
Merlini M, Hanfland M, Gemmi M |
| |
American Mineralogist 100 (2015) 2625-2629 |
|
The MnCO3-II high-pressure polymorph of rhodocrosite |
|
Note: Sample run2-p11 |
|
Note: P = 7.01 GPa |
|
Locality: Sardegna, Italy |
|
_database_code_amcsd 0020368 |
|
4.7248 4.7248 15.1242 90 90 120 R-3c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mn1 0 0 0 .96 .0114 .0094 .0094 .0155 .0047 0 0 |
|
Ca1 0 0 0 .04 .0114 .0094 .0094 .0155 .0047 0 0 |
|
C1 0 0 .25 .0085 |
|
O1 .2701 0 .25 .0121 .0097 .013 .015 .0066 .0000 -.0001 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Rhodocrosite |
| |
Merlini M, Hanfland M, Gemmi M |
| |
American Mineralogist 100 (2015) 2625-2629 |
|
The MnCO3-II high-pressure polymorph of rhodocrosite |
|
Note: Sample run2-p12 |
|
Note: P = 8.33 GPa |
|
Locality: Sardegna, Italy |
|
_database_code_amcsd 0020369 |
|
4.7177 4.7177 15.043 90 90 120 R-3c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mn1 0 0 0 .96 .0118 .0105 .0105 .0144 .0052 0 0 |
|
Ca1 0 0 0 .04 .0118 .0105 .0105 .0144 .0052 0 0 |
|
C1 0 0 .25 .0095 |
|
O1 .2707 0 .25 .0125 .0108 .013 .014 .0065 -.0013 -.0026 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Rhodocrosite |
| |
Merlini M, Hanfland M, Gemmi M |
| |
American Mineralogist 100 (2015) 2625-2629 |
|
The MnCO3-II high-pressure polymorph of rhodocrosite |
|
Note: Sample run2-p13 |
|
Note: P = 9.17 GPa |
|
Locality: Sardegna, Italy |
|
_database_code_amcsd 0020370 |
|
4.7146 4.7146 14.9903 90 90 120 R-3c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mn1 0 0 0 .96 .0119 .0093 .0093 .017 .0046 0 0 |
|
Ca1 0 0 0 .04 .0119 .0093 .0093 .017 .0046 0 0 |
|
C1 0 0 .25 .013 |
|
O1 .2713 0 .25 .015 .017 .016 .011 .0079 -.0035 -.007 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Rhodocrosite |
| |
Merlini M, Hanfland M, Gemmi M |
| |
American Mineralogist 100 (2015) 2625-2629 |
|
The MnCO3-II high-pressure polymorph of rhodocrosite |
|
Note: Sample run2-p14 |
|
Note: P = 9.82 GPa |
|
Locality: Sardegna, Italy |
|
_database_code_amcsd 0020371 |
|
4.7087 4.7087 14.9313 90 90 120 R-3c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mn1 0 0 0 .96 .0135 .0129 .0129 .0148 .0064 0 0 |
|
Ca1 0 0 0 .04 .0135 .0129 .0129 .0148 .0064 0 0 |
|
C1 0 0 .25 .0096 |
|
O1 .2716 0 .25 .0142 .0127 .016 .015 .0082 -.0022 -.0044 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Rhodocrosite |
| |
Merlini M, Hanfland M, Gemmi M |
| |
American Mineralogist 100 (2015) 2625-2629 |
|
The MnCO3-II high-pressure polymorph of rhodocrosite |
|
Note: Sample run2-p15 |
|
Note: P = 10.88 GPa |
|
Locality: Sardegna, Italy |
|
_database_code_amcsd 0020372 |
|
4.7017 4.7017 14.855 90 90 120 R-3c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mn1 0 0 0 .96 .0104 .0100 .0100 .0113 .0050 0 0 |
|
Ca1 0 0 0 .04 .0104 .0100 .0100 .0113 .0050 0 0 |
|
C1 0 0 .25 .0087 |
|
O1 .2706 0 .25 .0126 .0089 .013 .018 .0063 -.0018 -.0037 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Rhodocrosite |
| |
Merlini M, Hanfland M, Gemmi M |
| |
American Mineralogist 100 (2015) 2625-2629 |
|
The MnCO3-II high-pressure polymorph of rhodocrosite |
|
Note: Sample run2-p16 |
|
Note: P = 11.90 GPa |
|
Locality: Sardegna, Italy |
|
_database_code_amcsd 0020373 |
|
4.6955 4.6955 14.7918 90 90 120 R-3c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mn1 0 0 0 .96 .0118 .0103 .0103 .0146 .0052 0 0 |
|
Ca1 0 0 0 .04 .0118 .0103 .0103 .0146 .0052 0 0 |
|
C1 0 0 .25 .0088 |
|
O1 .2705 0 .25 .0125 .0088 .012 .018 .0059 -.0016 -.0032 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Rhodocrosite |
| |
Merlini M, Hanfland M, Gemmi M |
| |
American Mineralogist 100 (2015) 2625-2629 |
|
The MnCO3-II high-pressure polymorph of rhodocrosite |
|
Note: Sample run2-p17 |
|
Note: P = 12.73 GPa |
|
Locality: Sardegna, Italy |
|
_database_code_amcsd 0020374 |
|
4.6929 4.6929 14.7382 90 90 120 R-3c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mn1 0 0 0 .96 .0125 .0127 .0127 .012 .0064 0 0 |
|
Ca1 0 0 0 .04 .0125 .0127 .0127 .012 .0064 0 0 |
|
C1 0 0 .25 .009 |
|
O1 .2694 0 .25 .014 .0151 .017 .010 .0085 .0003 .001 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Rhodocrosite |
| |
Merlini M, Hanfland M, Gemmi M |
| |
American Mineralogist 100 (2015) 2625-2629 |
|
The MnCO3-II high-pressure polymorph of rhodocrosite |
|
Note: Sample run2-p18 |
|
Note: P = 14.82 GPa |
|
Locality: Sardegna, Italy |
|
_database_code_amcsd 0020375 |
|
4.6826 4.6826 14.613 90 90 120 R-3c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mn1 0 0 0 .96 .0114 .0096 .0096 .0149 .0048 0 0 |
|
Ca1 0 0 0 .04 .0114 .0096 .0096 .0149 .0048 0 0 |
|
C1 0 0 .25 .0105 |
|
O1 .2708 0 .25 .0129 .0081 .010 .021 .0052 -.0009 -.0018 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Rhodocrosite |
| |
Merlini M, Hanfland M, Gemmi M |
| |
American Mineralogist 100 (2015) 2625-2629 |
|
The MnCO3-II high-pressure polymorph of rhodocrosite |
|
Note: Sample run2-p19 |
|
Note: P = 16.42 GPa |
|
Locality: Sardegna, Italy |
|
_database_code_amcsd 0020376 |
|
4.6775 4.6775 14.528 90 90 120 R-3c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mn1 0 0 0 .96 .0142 .0144 .0144 .014 .0072 0 0 |
|
Ca1 0 0 0 .04 .0142 .0144 .0144 .014 .0072 0 0 |
|
C1 0 0 .25 .012 |
|
O1 .2696 0 .25 .015 .009 .018 .021 .009 -.0001 .000 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Rhodocrosite |
| |
Merlini M, Hanfland M, Gemmi M |
| |
American Mineralogist 100 (2015) 2625-2629 |
|
The MnCO3-II high-pressure polymorph of rhodocrosite |
|
Note: Sample run2-p20 |
|
Note: P = 17.66 GPa |
|
Locality: Sardegna, Italy |
|
_database_code_amcsd 0020377 |
|
4.6679 4.6679 14.4441 90 90 120 R-3c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mn1 0 0 0 .96 .0207 .0182 .0182 .026 .0091 0 0 |
|
Ca1 0 0 0 .04 .0207 .0182 .0182 .026 .0091 0 0 |
|
C1 0 0 .25 .015 |
|
O1 .2695 0 .25 .021 .014 .016 .033 .008 .0014 .003 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Rhodocrosite |
| |
Merlini M, Hanfland M, Gemmi M |
| |
American Mineralogist 100 (2015) 2625-2629 |
|
The MnCO3-II high-pressure polymorph of rhodocrosite |
|
Note: Sample run2-p21 |
|
Note: P = 18.69 GPa |
|
Locality: Sardegna, Italy |
|
_database_code_amcsd 0020378 |
|
4.6686 4.6686 14.401 90 90 120 R-3c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mn1 0 0 0 .96 .0206 .0171 .0171 .028 .0085 0 0 |
|
Ca1 0 0 0 .04 .0206 .0171 .0171 .028 .0085 0 0 |
|
C1 0 0 .25 .024 |
|
O1 .273 0 .25 .021 .021 .011 .028 .005 .0020 .004 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Rhodocrosite |
| |
Merlini M, Hanfland M, Gemmi M |
| |
American Mineralogist 100 (2015) 2625-2629 |
|
The MnCO3-II high-pressure polymorph of rhodocrosite |
|
Note: Sample run2-p22 |
|
Note: P = 19.78 GPa |
|
Locality: Sardegna, Italy |
|
_database_code_amcsd 0020379 |
|
4.6641 4.6641 14.341 90 90 120 R-3c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mn1 0 0 0 .96 .0118 .0112 .0112 .0130 .0056 0 0 |
|
Ca1 0 0 0 .04 .0118 .0112 .0112 .0130 .0056 0 0 |
|
C1 0 0 .25 .009 |
|
O1 .2731 0 .25 .011 .0127 .018 .005 .0088 -.0002 .000 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Rhodocrosite |
| |
Merlini M, Hanfland M, Gemmi M |
| |
American Mineralogist 100 (2015) 2625-2629 |
|
The MnCO3-II high-pressure polymorph of rhodocrosite |
|
Note: Sample run2-p23 |
|
Note: P = 20.24 GPa |
|
Locality: Sardegna, Italy |
|
_database_code_amcsd 0020380 |
|
4.6624 4.6624 14.330 90 90 120 R-3c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mn1 0 0 0 .96 .0108 .0097 .0097 .0129 .0048 0 0 |
|
Ca1 0 0 0 .04 .0108 .0097 .0097 .0129 .0048 0 0 |
|
C1 0 0 .25 .0084 |
|
O1 .2728 0 .25 .0106 .0110 .015 .007 .0073 .0000 .0001 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
|
| |
