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Ellenbergerite |
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Comodi P, Zanazzi P F |
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European Journal of Mineralogy 5 (1993) 819-829 |
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Structural study of ellenbergerite. Part 1: Effects of high temperature |
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Sample: I, T = 20 C |
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_database_code_amcsd 0006484 |
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12.2471 12.2471 4.9287 90 90 120 P6_3 |
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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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MgM11 .4273 .3385 0 .0064 .0084 .0076 .0038 -.0002 -.0006 |
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AlM12 .3503 .4209 .4957 .0085 .0057 .0072 .0041 -.0003 .0009 |
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MgM2 0 0 .2044 .7 .0068 .0068 .0362 .0034 0 0 |
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TiM2 0 0 .2044 .3 .0068 .0068 .0362 .0034 0 0 |
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SiT1 2/3 1/3 .7834 .0049 .0049 .0078 .0024 0 0 |
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SiT2 .3071 .1484 .4789 .0114 .0065 .0063 .0053 -.0005 -.0002 |
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O1 .2797 .3433 .1714 .0067 .0111 .0070 .0042 -.0017 -.0012 |
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O2 .3854 .1771 .1911 .0128 .0103 .0073 .0068 .0027 .0010 |
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O3 .3558 .2834 .6314 .0115 .0070 .0079 .0051 -.0026 -.0010 |
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O4 .1531 .0724 .4337 2/3 .0115 .0145 .0155 .0068 -.0043 -.0030 |
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OH4 .1531 .0724 .4337 1/3 .0115 .0145 .0155 .0068 -.0043 -.0030 |
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O5 .4742 .5219 .8110 .0087 .0093 .0104 .0049 .0035 -.0001 |
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O6 .3892 .5807 .3858 .0081 .0093 .0188 .0061 -.0020 .0020 |
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O7 1/3 2/3 .9512 .0374 .0374 .0060 .0187 0 0 |
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H1 .449 .554 .930 .040 |
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H2 1/3 2/3 .779 .005 |
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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) |
| |
|
Ellenbergerite |
|
Comodi P, Zanazzi P F |
| |
European Journal of Mineralogy 5 (1993) 819-829 |
|
Structural study of ellenbergerite. Part 1: Effects of high temperature |
|
Sample: II, T = 20 C |
|
_database_code_amcsd 0006485 |
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12.2573 12.2573 4.9316 90 90 120 P6_3 |
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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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MgM11 .4274 .3387 0 .0055 .0067 .0078 .0026 .0012 -.0004 |
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AlM12 .3502 .4207 .4956 .0070 .0046 .0056 .0032 .0011 .0005 |
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MgM2 0 0 .1994 .7 .0171 |
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TiM2 0 0 .1994 .3 .0171 |
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SiT1 2/3 1/3 .7812 .0051 .0051 .0092 .0025 0 0 |
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SiT2 .3067 .1482 .4793 .0097 .0046 .0066 .0043 -.0012 -.0012 |
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O1 .2798 .3431 .1713 .0061 |
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O2 .3851 .1767 .1940 .0077 |
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O3 .3548 .2826 .6313 .0065 |
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O4 .1538 .0734 .4330 2/3 .0109 |
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OH4 .1538 .0734 .4330 1/3 .0109 |
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OH5 .4738 .5226 .8163 .0064 |
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O6 .3900 .5814 .3878 .0099 |
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OH7 1/3 2/3 .9465 .0215 |
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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) |
| |
|
Ellenbergerite |
|
Comodi P, Zanazzi P F |
| |
European Journal of Mineralogy 5 (1993) 819-829 |
|
Structural study of ellenbergerite. Part 1: Effects of high temperature |
|
Sample: III, T = 410 C |
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_database_code_amcsd 0006486 |
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12.2851 12.2851 4.9505 90 90 120 P6_3 |
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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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MgM11 .4271 .3392 0 .0127 .0166 .0099 .0072 .0012 .0004 |
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AlM12 .3484 .4201 .4954 .0157 .0107 .0086 .0080 .0008 .0011 |
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MgM2 0 0 .2034 .7 .0178 |
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TiM2 0 0 .2034 .3 .0178 |
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SiT1 2/3 1/3 .7847 .0104 .0104 .0128 .0052 0 0 |
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SiT2 .3068 .1489 .4794 .0160 .0102 .0079 .0077 -.0013 -.0008 |
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O1 .2794 .3436 .1712 .0128 |
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O2 .3836 .1767 .1941 .0143 |
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O3 .3543 .2827 .6295 .0128 |
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O4 .1539 .0736 .4349 2/3 .0196 |
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OH4 .1539 .0736 .4349 1/3 .0196 |
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OH5 .4737 .5218 .8153 .0130 |
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O6 .3891 .5806 .3895 .0164 |
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OH7 1/3 2/3 .9507 .0377 |
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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) |
| |
|
Ellenbergerite |
|
Comodi P, Zanazzi P F |
| |
European Journal of Mineralogy 5 (1993) 819-829 |
|
Structural study of ellenbergerite. Part 1: Effects of high temperature |
|
Sample: II, T = 668 C |
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_database_code_amcsd 0006487 |
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12.3184 12.3184 4.9674 90 90 120 P6_3 |
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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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MgM11 .4270 .3394 0 .0149 .0190 .0184 .0080 .0009 -.0010 |
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AlM12 .3474 .4198 .4971 .0193 .0133 .0148 .0095 .0026 .0033 |
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MgM2 0 0 .2044 .7 .0265 |
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TiM2 0 0 .2044 .3 .0265 |
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SiT1 2/3 1/3 .7867 .0133 .0133 .0187 .0066 0 0 |
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SiT2 .3065 .1491 .4810 .0178 .0110 .0142 .0083 -.0019 -.0016 |
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O1 .2787 .3439 .1726 .0174 |
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O2 .3829 .1775 .1963 .0185 |
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O3 .3535 .2827 .6332 .0172 |
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O4 .1540 .0744 .4361 2/3 .0253 |
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OH4 .1540 .0744 .4361 1/3 .0253 |
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OH5 .4736 .5223 .8186 .0187 |
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O6 .3887 .5811 .3926 .0201 |
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OH7 1/3 2/3 .9541 .0465 |
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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) |
| |
|
Ellenbergerite |
|
Comodi P, Zanazzi P F |
| |
European Journal of Mineralogy 5 (1993) 831-838 |
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Structural study of ellenbergerite. Part II: Effects of high pressure |
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Sample: I, P = 4 kbar |
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_database_code_amcsd 0006488 |
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12.24 12.24 4.925 90 90 120 P6_3 |
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atom x y z occ Uiso |
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MgM11 .4276 .3387 0 .0064 |
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AlM12 .3506 .4208 .4946 .0054 |
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MgM2 0 0 .1991 .49 .0141 |
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FeM2 0 0 .1991 .03 .0141 |
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TiM2 0 0 .1991 .60 .0141 |
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ZrM2 0 0 .1991 .02 .0141 |
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SiT1 2/3 1/3 .7794 .98 .0039 |
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PT1 2/3 1/3 .7794 .02 .0039 |
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SiT2 .3069 .1481 .4771 .0062 |
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O1 .2801 .3432 .1698 .0058 |
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O2 .3860 .1773 .1913 .0087 |
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O3 .3559 .2837 .6285 .0067 |
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O4 .1531 .0724 .4303 2/3 .0093 |
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OH4 .1531 .0724 .4303 1/3 .0093 |
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OH5 .4733 .5228 .8138 .0033 |
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O6 .3886 .5806 .3861 .0083 |
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OH7 1/3 2/3 .9463 .0270 |
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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) |
| |
|
Ellenbergerite |
|
Comodi P, Zanazzi P F |
| |
European Journal of Mineralogy 5 (1993) 831-838 |
|
Structural study of ellenbergerite. Part II: Effects of high pressure |
|
Sample: I, P = 32 kbar |
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_database_code_amcsd 0006489 |
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12.16 12.16 4.882 90 90 120 P6_3 |
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atom x y z occ Uiso |
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MgM11 .4285 .3379 0 .0055 |
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AlM12 .3514 .4208 .4957 .96 .0045 |
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MgM12 .3514 .4208 .4957 .04 .0045 |
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MgM2 0 0 .1971 .77 .0132 |
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FeM2 0 0 .1971 .08 .0132 |
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TiM2 0 0 .1971 .20 .0132 |
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ZrM2 0 0 .1971 .28 .0132 |
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SiT1 2/3 1/3 .7701 .67 .0026 |
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PT1 2/3 1/3 .7701 .33 .0026 |
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SiT2 .3065 .1476 .4771 .0049 |
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O1 .2805 .3410 .1714 .0071 |
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O2 .3869 .1769 .1922 .0062 |
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O3 .3552 .2827 .6329 .0048 |
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O4 .1536 .0727 .4238 2/3 .0104 |
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OH4 .1536 .0727 .4238 1/3 .0104 |
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OH5 .4728 .5220 .8143 .0059 |
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O6 .3900 .5807 .3762 .0065 |
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OH7 1/3 2/3 .9314 .0220 |
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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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