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Metahohmannite |
 |
Scordari F, Ventruti G, Gualtieri A F |
 |
American Mineralogist 89 (2004) 365-370 |
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The structure of metahohmannite, Fe2[O(SO4)2].4H2O, |
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by in situ synchrotron powder diffraction |
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_database_code_amcsd 0003421 |
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7.3484 9.7710 7.1521 91.684 98.523 86.390 P-1 |
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atom x y z Uiso |
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Fe1 .622 .463 .356 .022 |
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Fe2 .636 .226 .709 .022 |
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S1 .885 .180 .374 .019 |
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S2 .349 .333 .000 .019 |
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O1 .816 .147 .548 .027 |
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O2 .085 .170 .412 .027 |
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O3 .163 .677 .682 .027 |
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O4 .787 .083 .246 .027 |
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O5 .309 .459 .890 .027 |
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O6 .503 .253 .938 .027 |
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O7 .185 .253 -.020 .027 |
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O8 .597 .631 .797 .027 |
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O9 .502 .631 .458 .027 |
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Wat11 .251 .957 .180 .027 |
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Wat12 .595 .871 .395 .027 |
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Wat14 .821 .558 .533 .027 |
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Wat16 .868 .320 .827 .027 |
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| Download AMC data (View Text File)
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FeOHSO4 |
| |
Ventruti G, Scordari F, Schingaro E, Gualtieri A F, Meneghini C |
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American Mineralogist 90 (2005) 679-686 |
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The order-disorder character of FeOHSO4 obtained from the thermal decomposition of |
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metahohmannite, Fe3+2(H2O)4[O(SO4)2] |
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Sample: T = 220 C |
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Note: this is a fictitious "superposition structure", resulting from Rietveld refinement |
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of a structure with disordered layer stacking |
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_database_code_amcsd 0003759 |
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3.668 6.418 7.159 90 90 90 Immm |
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atom x y z Uiso |
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Fe 0 0 0 .013 |
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S 0 .5 .881 .028 |
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O1 0 .683 0 .023 |
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O2 .170 0 .264 .023 |
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O4 0 .5 .401 .023 |
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| Download AMC data (View Text File)
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FeOHSO4 |
| |
Ventruti G, Scordari F, Schingaro E, Gualtieri A F, Meneghini C |
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American Mineralogist 90 (2005) 679-686 |
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The order-disorder character of FeOHSO4 obtained from the thermal decomposition of |
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metahohmannite, Fe3+2(H2O)4[O(SO4)2] |
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Sample: T = 220 C |
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Note: this is the MDO2 polytype, a maximally ordered member of a family of OD structures |
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_database_code_amcsd 0003760 |
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7.33 7.14 7.39 90 119.7 90 P2_1/c |
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atom x y z |
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Fe1 0 0 0 |
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Fe2 .5 .5 .5 |
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S .25 .616 0 |
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O1 .3415 .5 .183 |
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O2 .916 .270 0 |
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O3 .584 .270 0 |
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O4 .25 .100 0 |
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O5 .8415 0 .683 |
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| Download AMC data (View Text File)
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Phlogopite |
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Ventruti G, Zema M, Scordari F, Pedrazzi G |
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American Mineralogist 93 (2008) 632-643 |
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Thermal behavior of a Ti-rich phlogopite from Mt. Vulture (Potenza, Italy): |
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An in situ X-ray single-crystal diffraction study |
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Locality: trioctahedral mica, Cava St. Antonia, Mt. Vulture, Potenza, Italy |
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Sample: T = 100 K |
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_database_code_amcsd 0004547 |
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5.3278 9.2225 10.2087 90 100.031 90 C2/m |
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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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K 0 .5 0 1.0276 .0172 .01597 .01614 .0197 0 .00382 0 |
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MgM1 0 0 .5 .7408 .0063 .00543 .00495 .00922 0 .00292 0 |
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FeM1 0 0 .5 .2592 .0063 .00543 .00495 .00922 0 .00292 0 |
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MgM2 0 .33520 .5 .7393 .0072 .00423 .00967 .00774 0 .00103 0 |
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FeM2 0 .33520 .5 .2607 .0072 .00423 .00967 .00774 0 .00103 0 |
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Si .07495 .16686 .22520 .6761 .0067 .00575 .00654 .00789 .00005 .00150 .00018 |
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Al .07495 .16686 .22520 .3073 .0067 .00575 .00654 .00789 .00005 .00150 .00018 |
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O1 .33269 .22311 .16797 .0136 .0127 .0173 .0112 -.0035 .0031 -.0022 |
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O2 .0019 0 .16889 .0136 .0180 .0111 .0109 0 .0000 0 |
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O3 .13082 .16751 .39136 .0084 .0081 .0084 .0085 .00019 .00135 .0001 |
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O4 .13190 .5 .39874 .0086 .0083 .0107 .0069 0 .0015 0 |
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H .111 .5 .319 .5931 .0086 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Phlogopite |
|
Ventruti G, Zema M, Scordari F, Pedrazzi G |
| |
American Mineralogist 93 (2008) 632-643 |
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Thermal behavior of a Ti-rich phlogopite from Mt. Vulture (Potenza, Italy): |
|
An in situ X-ray single-crystal diffraction study |
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Locality: trioctahedral mica, Cava St. Antonia, Mt. Vulture, Potenza, Italy |
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Sample: T = 200 K |
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_database_code_amcsd 0004548 |
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5.3310 9.2298 10.2217 90 100.031 90 C2/m |
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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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K 0 .5 0 1.0279 .0237 .0232 .0235 .0245 0 .00481 0 |
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MgM1 0 0 .5 .7365 .0080 .0067 .0063 .0112 0 .0032 0 |
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FeM1 0 0 .5 .2635 .0080 .0067 .0063 .0112 0 .0032 0 |
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MgM2 0 .33520 .5 .7322 .0088 .0055 .0108 .0097 0 .00113 0 |
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FeM2 0 .33520 .5 .2678 .0088 .0055 .0108 .0097 0 .00113 0 |
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Si .07508 .16685 .22553 .6748 .0078 .00691 .0074 .0092 .00007 .00165 .00014 |
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Al .07508 .16685 .22553 .3067 .0078 .00691 .0074 .0092 .00007 .00165 .00014 |
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O1 .33154 .22433 .16831 .0158 .0148 .0204 .0129 -.0046 .0037 -.0026 |
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O2 .0046 0 .16928 .0160 .0217 .0124 .0130 0 -.0001 0 |
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O3 .13087 .16746 .39151 .0095 .0093 .0097 .0097 .0003 .0015 .0002 |
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O4 .13181 .5 .39884 .0099 .0094 .0113 .0091 0 .0017 0 |
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H .107 .5 .327 .5946 .0099 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
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|
Phlogopite |
|
Ventruti G, Zema M, Scordari F, Pedrazzi G |
| |
American Mineralogist 93 (2008) 632-643 |
|
Thermal behavior of a Ti-rich phlogopite from Mt. Vulture (Potenza, Italy): |
|
An in situ X-ray single-crystal diffraction study |
|
Locality: trioctahedral mica, Cava St. Antonia, Mt. Vulture, Potenza, Italy |
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Sample: T = 298 K |
|
_database_code_amcsd 0004549 |
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5.3365 9.2438 10.2331 90 100.031 90 C2/m |
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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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K 0 .5 0 1.0253 .0309 .0316 .0304 .0310 0 .0059 0 |
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MgM1 0 0 .5 .7381 .0096 .0087 .0068 .0136 0 .0036 0 |
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FeM1 0 0 .5 .2619 .0096 .0087 .0068 .0136 0 .0036 0 |
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MgM2 0 .33517 .5 .7326 .0105 .0074 .0116 .0123 0 .0018 0 |
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FeM2 0 .33517 .5 .2674 .0105 .0074 .0116 .0123 0 .0018 0 |
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Si .07523 .16684 .22587 .6745 .0093 .00874 .00819 .0110 .00008 .00215 .00005 |
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Al .07523 .16684 .22587 .3066 .0093 .00874 .00819 .0110 .00008 .00215 .00005 |
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O1 .33016 .22599 .16870 .0188 .0178 .0235 .0158 -.0063 .0047 -.0031 |
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O2 .0080 0 .16946 .0188 .0265 .0128 .0159 0 .0001 0 |
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O3 .13081 .16746 .39157 .0109 .0114 .0109 .0108 -.0002 .0022 -.0003 |
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O4 .13192 .5 .39889 .0121 .0115 .0132 .0116 0 .0019 0 |
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H .113 .5 .325 .5936 .0121 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Phlogopite |
|
Ventruti G, Zema M, Scordari F, Pedrazzi G |
| |
American Mineralogist 93 (2008) 632-643 |
|
Thermal behavior of a Ti-rich phlogopite from Mt. Vulture (Potenza, Italy): |
|
An in situ X-ray single-crystal diffraction study |
|
Locality: trioctahedral mica, Cava St. Antonia, Mt. Vulture, Potenza, Italy |
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Sample: T = 298 K after reversal experiment |
|
_database_code_amcsd 0004550 |
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5.3160 9.2043 10.1613 90 100.060 90 C2/m |
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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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K 0 .5 0 1.0217 .0287 .0259 .0264 .0342 0 .0064 0 |
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MgM1 0 0 .5 .73956 .0127 .0104 .0097 .0188 0 .0048 0 |
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FeM1 0 0 .5 .26044 .0127 .0104 .0097 .0188 0 .0048 0 |
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MgM2 0 .34126 .5 .73765 .0104 .0050 .0117 .0132 0 .0010 0 |
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FeM2 0 .34126 .5 .26235 .0104 .0050 .0117 .0132 0 .0010 0 |
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Si .07398 .16718 .22456 .6732 .0093 .0076 .0082 .0122 .00020 .00209 .0000 |
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Al .07398 .16718 .22456 .3060 .0093 .0076 .0082 .0122 .00020 .00209 .0000 |
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O1 .3280 .2262 .1669 .0182 .0155 .0219 .0177 -.0053 .0046 -.0040 |
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O2 .0083 0 .1683 .0180 .0232 .0123 .0173 0 .0003 0 |
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O3 .1304 .16860 .39181 .0104 .0083 .0091 .0138 .0001 .0019 -.0004 |
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O4 .1351 .5 .4005 .0117 .0111 .0113 .0131 0 .0036 0 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Phlogopite |
|
Ventruti G, Zema M, Scordari F, Pedrazzi G |
| |
American Mineralogist 93 (2008) 632-643 |
|
Thermal behavior of a Ti-rich phlogopite from Mt. Vulture (Potenza, Italy): |
|
An in situ X-ray single-crystal diffraction study |
|
Locality: trioctahedral mica, Cava St. Antonia, Mt. Vulture, Potenza, Italy |
|
Sample: T = 473 K |
|
_database_code_amcsd 0004551 |
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5.3400 9.2470 10.2465 90 100.055 90 C2/m |
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atom x y z occ Uiso |
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K 0 .5 0 1.0291 .0459 |
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MgM1 0 0 .5 .7399 .0126 |
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FeM1 0 0 .5 .2601 .0126 |
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MgM2 0 .3350 .5 .7380 .0138 |
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FeM2 0 .3350 .5 .2620 .0138 |
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Si .0756 .1668 .2261 .6737 .0128 |
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Al .0756 .1668 .2261 .3062 .0128 |
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O1 .3254 .2314 .1680 .0269 |
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O2 .0157 0 .1705 .022 |
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O3 .1311 .1676 .3916 .0149 |
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O4 .1275 .5 .3974 .0179 |
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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
|
| |
|
Phlogopite |
|
Ventruti G, Zema M, Scordari F, Pedrazzi G |
| |
American Mineralogist 93 (2008) 632-643 |
|
Thermal behavior of a Ti-rich phlogopite from Mt. Vulture (Potenza, Italy): |
|
An in situ X-ray single-crystal diffraction study |
|
Locality: trioctahedral mica, Cava St. Antonia, Mt. Vulture, Potenza, Italy |
|
Sample: T = 673 K |
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_database_code_amcsd 0004552 |
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5.3526 9.2727 10.2787 90 100.069 90 C2/m |
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atom x y z occ Uiso |
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K 0 .5 0 1.0279 .058 |
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MgM1 0 0 .5 .7397 .0172 |
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FeM1 0 0 .5 .2603 .0172 |
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MgM2 0 .3352 .5 .7380 .0190 |
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FeM2 0 .3352 .5 .2620 .0190 |
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Si .0755 .1668 .2268 .6738 .0164 |
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Al .0755 .1668 .2268 .3062 .0164 |
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O1 .3188 .2356 .1697 .034 |
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O2 .028 0 .1721 .037 |
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O3 .1315 .1672 .3919 .0208 |
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O4 .128 .5 .3976 .023 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Phlogopite |
|
Ventruti G, Zema M, Scordari F, Pedrazzi G |
| |
American Mineralogist 93 (2008) 632-643 |
|
Thermal behavior of a Ti-rich phlogopite from Mt. Vulture (Potenza, Italy): |
|
An in situ X-ray single-crystal diffraction study |
|
Locality: trioctahedral mica, Cava St. Antonia, Mt. Vulture, Potenza, Italy |
|
Sample: T = 873 K |
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_database_code_amcsd 0004553 |
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5.3583 9.2866 10.2960 90 100.081 90 C2/m |
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atom x y z occ Uiso |
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K 0 .5 0 1.0331 .079 |
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MgM1 0 0 .5 .7383 .0218 |
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FeM1 0 0 .5 .2617 .0218 |
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MgM2 0 .3364 .5 .7378 .0229 |
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FeM2 0 .3364 .5 .2622 .0229 |
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Si .0761 .1668 .2277 .6739 .0198 |
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Al .0761 .1668 .2277 .3063 .0198 |
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O1 .317 .2415 .1679 .038 |
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O2 .038 0 .1720 .036 |
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O3 .1308 .1682 .3918 .025 |
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O4 .131 .5 .3992 .024 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Phlogopite |
|
Ventruti G, Zema M, Scordari F, Pedrazzi G |
| |
American Mineralogist 93 (2008) 632-643 |
|
Thermal behavior of a Ti-rich phlogopite from Mt. Vulture (Potenza, Italy): |
|
An in situ X-ray single-crystal diffraction study |
|
Locality: trioctahedral mica, Cava St. Antonia, Mt. Vulture, Potenza, Italy |
|
Sample: T = 873 K, after 14 h from previous measurement at same temperature |
|
_database_code_amcsd 0004554 |
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5.3560 9.2798 10.2863 90 100.051 90 C2/m |
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atom x y z occ Uiso |
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K 0 .5 0 1.0277 .077 |
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MgM1 0 0 .5 .7395 .0228 |
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FeM1 0 0 .5 .2605 .0228 |
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MgM2 0 .3375 .5 .7379 .0214 |
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FeM2 0 .3375 .5 .2621 .0214 |
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Si .0760 .1670 .2272 .6738 .0195 |
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Al .0760 .1670 .2272 .3063 .0195 |
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O1 .3168 .2400 .1696 .038 |
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O2 .038 0 .1710 .039 |
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O3 .1308 .1686 .3900 .023 |
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O4 .133 .5 .3995 .028 |
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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
|
| |
|
Phlogopite |
|
Ventruti G, Zema M, Scordari F, Pedrazzi G |
| |
American Mineralogist 93 (2008) 632-643 |
|
Thermal behavior of a Ti-rich phlogopite from Mt. Vulture (Potenza, Italy): |
|
An in situ X-ray single-crystal diffraction study |
|
Locality: trioctahedral mica, Cava St. Antonia, Mt. Vulture, Potenza, Italy |
|
Sample: T = 1023 K |
|
_database_code_amcsd 0004555 |
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5.3621 9.2897 10.2986 90 100.064 90 C2/m |
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atom x y z occ Uiso |
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K 0 .5 0 1.0351 .086 |
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MgM1 0 0 .5 .7377 .0297 |
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FeM1 0 0 .5 .2623 .0297 |
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MgM2 0 .3405 .5 .7381 .0245 |
|
FeM2 0 .3405 .5 .2619 .0245 |
|
Si .0749 .1674 .2268 .6735 .0217 |
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Al .0749 .1674 .2268 .3061 .0217 |
|
O1 .3132 .2425 .1683 .038 |
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O2 .041 0 .1718 .042 |
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O3 .1315 .1688 .3916 .0268 |
|
O4 .134 .5 .4012 .028 |
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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
|
| |
|
Phlogopite |
|
Zema M, Ventruti G, Lacalamita M, Scordari F |
| |
American Mineralogist 95 (2010) 1458-1466 |
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Kinetics of Fe-oxidation/deprotonation process in Fe-rich phlogopite |
|
under isothermal conditions |
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Locality: Mt. Vulture, Potenza, Italy |
|
Sample: SA1_9 |
|
_database_code_amcsd 0017712 |
|
5.3379 9.2414 10.2311 90 100.023 90 C2/m |
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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) |
|
K 0 .5 0 .85 .0302 .0292 .0275 .0340 -.0000 -.0063 .0000 |
|
Na 0 .5 0 .07 .0302 .0292 .0275 .0340 -.0000 -.0063 .0000 |
|
Ba 0 .5 0 .05 .0302 .0292 .0275 .0340 -.0000 -.0063 .0000 |
|
Mg1 0 0 .5 .7546 .0110 .0091 .0076 .0172 -.0000 -.0045 .0000 |
|
Fe1 0 0 .5 .2454 .0110 .0091 .0076 .0172 -.0000 -.0045 .0000 |
|
Mg2 0 .33691 .5 .7346 .0122 .0079 .0125 .0161 -.0000 -.0021 .0000 |
|
Fe2 0 .33691 .5 .2654 .0122 .0079 .0125 .0161 -.0000 -.0021 .0000 |
|
Si .07481 .16700 .22560 .6575 .0103 .0101 .0089 .0123 -.0002 -.0026 -.0001 |
|
Al .07481 .16700 .22560 .3425 .0103 .0101 .0089 .0123 -.0002 -.0026 -.0001 |
|
O1 .3293 .2261 .1684 .0202 .0198 .0239 .0172 -.0048 -.0042 -.0024 |
|
O2 .0071 0 .1692 .0202 .028 .0134 .018 -.0000 -.0014 -.0000 |
|
O3 .1307 .1686 .3923 .0127 .0106 .0126 .0148 -.0004 -.0020 -.0014 |
|
OH4 .1323 .5 .3984 .67 .0132 .0147 .0114 .014 -.0000 -.0029 -.0000 |
|
O4 .1323 .5 .3984 .25 .0132 .0147 .0114 .014 -.0000 -.0029 -.0000 |
|
F4 .1323 .5 .3984 .08 .0132 .0147 .0114 .014 -.0000 -.0029 -.0000 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Phlogopite |
|
Zema M, Ventruti G, Lacalamita M, Scordari F |
| |
American Mineralogist 95 (2010) 1458-1466 |
|
Kinetics of Fe-oxidation/deprotonation process in Fe-rich phlogopite |
|
under isothermal conditions |
|
Locality: Mt. Vulture, Potenza, Italy |
|
Sample: SA1_18n |
|
_database_code_amcsd 0017713 |
|
5.32568 9.2207 10.2093 90 100.014 90 C2/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K 0 .5 0 .89 .0293 .0290 .0290 .0302 -.0000 -.00578 -.0000 |
|
Na 0 .5 0 .08 .0293 .0290 .0290 .0302 -.0000 -.00578 -.0000 |
|
Ba 0 .5 0 .03 .0293 .0290 .0290 .0302 -.0000 -.00578 -.0000 |
|
Mg1 0 0 .5 .7398 .0092 .00790 .00668 .01373 -.0000 -.00411 -.0000 |
|
Fe1 0 0 .5 .2602 .0092 .00790 .00668 .01373 -.0000 -.00411 -.0000 |
|
Mg2 0 .33624 .5 .7271 .0103 .00625 .01221 .01251 -.0000 -.00174 -.0000 |
|
Fe2 0 .33624 .5 .2729 .0103 .00625 .01221 .01251 -.0000 -.00174 -.0000 |
|
Si .07499 .16691 .22564 .66 .0086 .00758 .00779 .01077 -.00000 -.00223 -.00010 |
|
Al .07499 .16691 .22564 .34 .0086 .00758 .00779 .01077 -.00000 -.00223 -.00010 |
|
O1 .32993 .22590 .16846 .0180 .0160 .0228 .0161 -.0058 -.0049 -.0029 |
|
O2 .0080 0 .16946 .0180 .0245 .0125 .0158 -.0000 -.0001 -.0000 |
|
O3 .13066 .16766 .39162 .0106 .01004 .01052 .0113 -.00021 -.00219 -.00001 |
|
O4 .13241 .5 .39916 .92 .0114 .0106 .0126 .0110 -.0000 -.0019 -.0000 |
|
F4 .13241 .5 .39916 .08 .0114 .0106 .0126 .0110 -.0000 -.0019 -.0000 |
|
H .101 .5 .318 .6750 .06 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Phlogopite |
|
Zema M, Ventruti G, Lacalamita M, Scordari F |
| |
American Mineralogist 95 (2010) 1458-1466 |
|
Kinetics of Fe-oxidation/deprotonation process in Fe-rich phlogopite |
|
under isothermal conditions |
|
Locality: Mt. Vulture, Potenza, Italy |
|
Sample: SA1_14n |
|
_database_code_amcsd 0017714 |
|
5.3403 9.2481 10.2327 90 100.017 90 C2/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K 0 .5 0 .83 .0309 .0305 .0312 .0309 -.0000 -.0054 -.0000 |
|
Na 0 .5 0 .07 .0309 .0305 .0312 .0309 -.0000 -.0054 -.0000 |
|
Ba 0 .5 0 .05 .0309 .0305 .0312 .0309 -.0000 -.0054 -.0000 |
|
Mg1 0 0 .5 .7394 .0102 .0091 .0083 .0140 -.0000 -.00399 -.0000 |
|
Fe1 0 0 .5 .2606 .0102 .0091 .0083 .0140 -.0000 -.00399 -.0000 |
|
Mg2 0 .33601 .5 .7267 .0113 .00745 .01402 .01212 -.0000 -.00120 -.0000 |
|
Fe2 0 .33601 .5 .2733 .0113 .00745 .01402 .01212 -.0000 -.00120 -.0000 |
|
Si .07501 .16686 .22558 .6675 .0100 .00918 .01024 .01073 -.00002 -.00182 -.00013 |
|
Al .07501 .16686 .22558 .3325 .0100 .00918 .01024 .01073 -.00002 -.00182 -.00013 |
|
O1 .3298 .22594 .16828 .0194 .0175 .0251 .0161 -.0055 -.0044 -.0033 |
|
O2 .0076 0 .16904 .0192 .0258 .0136 .0164 -.0000 -.0007 -.0000 |
|
O3 .13088 .16765 .39154 .0119 .0119 .0125 .0112 -.0001 -.0020 -.0003 |
|
O4 .1320 .5 .39921 .915 .0130 .0128 .0147 .0112 -.0000 -.0016 -.0000 |
|
F4 .1320 .5 .39921 .085 .0130 .0128 .0147 .0112 -.0000 -.0016 -.0000 |
|
H .109 .5 .317 .7765 .07 |
|
|
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View JMOL 3-D Structure
|
| |
|
Phlogopite |
|
Zema M, Ventruti G, Lacalamita M, Scordari F |
| |
American Mineralogist 95 (2010) 1458-1466 |
|
Kinetics of Fe-oxidation/deprotonation process in Fe-rich phlogopite |
|
under isothermal conditions |
|
Locality: Mt. Vulture, Potenza, Italy |
|
Sample: SA1_5n |
|
_database_code_amcsd 0017715 |
|
5.3388 9.2464 10.2365 90 100.037 90 C2/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K 0 .5 0 1.0367 .0305 .0307 .0308 .0300 -.0000 -.0053 -.0000 |
|
Mg1 0 0 .5 .7414 .0093 .00826 .00752 .0128 -.0000 -.00359 -.0000 |
|
Fe1 0 0 .5 .2586 .0093 .00826 .00752 .0128 -.0000 -.00359 -.0000 |
|
Mg2 0 .33529 .5 .7371 .0104 .00683 .01226 .01191 -.0000 -.00142 -.0000 |
|
Fe2 0 .33529 .5 .2629 .0104 .00683 .01226 .01191 -.0000 -.00142 -.0000 |
|
Si .07513 .16684 .22573 .66 .0094 .00883 .00902 .01052 -.00009 -.00194 -.00002 |
|
Al .07513 .16684 .22573 .34 .0094 .00883 .00902 .01052 -.00009 -.00194 -.00002 |
|
O1 .33059 .22562 .16869 .0187 .0174 .0241 .0152 -.0061 -.0042 -.0031 |
|
O2 .0069 0 .16939 .0187 .0266 .0135 .0147 -.0000 -.0004 -.0000 |
|
O3 .13087 .16741 .39169 .0113 .0123 .0112 .0107 -.00031 -.00202 -.0002 |
|
O4 .13224 .5 .39883 .0124 .0119 .0144 .0110 -.0000 -.0017 -.0000 |
|
H .116 .5 .320 .7389 .09 |
|
|
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|
| |
|
Phlogopite |
|
Zema M, Ventruti G, Lacalamita M, Scordari F |
| |
American Mineralogist 95 (2010) 1458-1466 |
|
Kinetics of Fe-oxidation/deprotonation process in Fe-rich phlogopite |
|
under isothermal conditions |
|
Locality: Mt. Vulture, Potenza, Italy |
|
Sample: SA1_15n |
|
_database_code_amcsd 0017716 |
|
5.3435 9.2530 10.2458 90 100.006 90 C2/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K 0 .5 0 1.0330 .0327 .0327 .0326 .0329 -.0000 -.0055 -.0000 |
|
Mg1 0 0 .5 .7479 .0108 .0091 .0078 .0162 -.0000 -.0037 -.0000 |
|
Fe1 0 0 .5 .2520 .0108 .0091 .0078 .0162 -.0000 -.0037 -.0000 |
|
Mg2 0 .33531 .5 .7429 .0117 .0077 .0133 .0140 -.0000 -.00151 -.0000 |
|
Fe2 0 .33531 .5 .2571 .0117 .0077 .0133 .0140 -.0000 -.00151 -.0000 |
|
Si .07522 .16690 .22591 .66 .0110 .00979 .00981 .0136 -.00014 -.00239 -.0001 |
|
Al .07522 .16690 .22591 .34 .0110 .00979 .00981 .0136 -.00014 -.00239 -.0001 |
|
O1 .3300 .22577 .16855 .0198 .0172 .0241 .0187 -.0060 -.0047 -.0033 |
|
O2 .0080 0 .1697 .0204 .0254 .0161 .0181 -.0000 -.0002 -.0000 |
|
O3 .1307 .16748 .39138 .0127 .0122 .0123 .0137 -.0002 -.0026 -.0001 |
|
O4 .1317 .5 .3987 .0137 .0118 .0154 .0140 -.0000 -.0021 -.0000 |
|
H .100 .5 .315 .7984 .07 |
|
|
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|
| |
|
Metasideronatrite |
|
Ventruti G, Stasi F, Scordari F |
| |
American Mineralogist 95 (2010) 329-334 |
|
Metasideronatrite: crystal structure and its relation with sideronatrite |
|
Locality: Sierra Gorda, Chile |
|
_database_code_amcsd 0005014 |
|
7.3959 16.0979 7.1607 90 90 90 Pbnm |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Na .5512 .1598 .5225 .028 |
|
Fe 0 0 0 .014 .0138 .0181 .0092 .0006 .0006 .0001 |
|
S1 .9843 .1653 .75 .016 .017 .016 .014 .001 .0000 .0000 |
|
S2 .6314 .0142 .25 .014 .014 .018 .0102 -.000 .0000 .0000 |
|
O1 .7889 .1735 .75 .027 |
|
O2 .0703 .2478 .75 .021 |
|
O3 .0464 .1192 .9194 .018 |
|
O4 .7452 .0337 .4191 .019 |
|
O5 .4782 .0719 .25 .019 |
|
O6 .4216 .0714 .75 .022 |
|
OH .0953 .0286 .25 .010 |
|
Wat .4439 .2589 .75 .030 |
|
|
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|
| |
|
Phlogopite-1M |
| |
Schingaro E, Scordari F, Ventruti G |
| |
European Journal of Mineralogy 13 (2001) 1057-1069 |
|
Trioctahedral micas-1M from Mt. Vulture (Italy): Structural |
|
disorder and crystal chemistry |
|
Sample: LC2G |
|
Locality: Mt. Vulture, Italy |
|
_database_code_amcsd 0006916 |
|
5.332 9.235 10.220 90 100.06 90 C2/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K 0 0 0 .83 .0354 .035 .035 .036 0 .0057 0 |
|
Na 0 0 0 .05 .0354 .035 .035 .036 0 .0057 0 |
|
Ba 0 0 0 .02 .0354 .035 .035 .036 0 .0057 0 |
|
O 0 0 0 .07 .0354 .035 .035 .036 0 .0057 0 |
|
H 0 0 0 .21 .0354 .035 .035 .036 0 .0057 0 |
|
AlM1 0 .5 .5 .17 .0110 .0094 .0087 .018 0 .0045 0 |
|
MgM1 0 .5 .5 .35 .0110 .0094 .0087 .018 0 .0045 0 |
|
FeM1 0 .5 .5 .34 .0110 .0094 .0087 .018 0 .0045 0 |
|
MnM1 0 .5 .5 .01 .0110 .0094 .0087 .018 0 .0045 0 |
|
AlM2 0 .8341 .5 .015 .0120 .0085 .0125 .0159 0 .0017 0 |
|
TiM2 0 .8341 .5 .065 .0120 .0085 .0125 .0159 0 .0017 0 |
|
MgM2 0 .8341 .5 .745 .0120 .0085 .0125 .0159 0 .0017 0 |
|
FeM2 0 .8341 .5 .175 .0120 .0085 .0125 .0159 0 .0017 0 |
|
SiT .5753 .1668 .2260 .7 .0124 .0107 .0114 .0160 -.0001 .0030 .0001 |
|
AlT .5753 .1668 .2260 .3 .0124 .0107 .0114 .0160 -.0001 .0030 .0001 |
|
O1 .8273 .2284 .1686 .0213 .018 .027 .021 -.005 .005 -.002 |
|
O2 .5130 0 .1694 .0221 .028 .019 .020 0 -.000 0 |
|
O3 .6306 .1674 .3914 .0124 .011 .011 .015 -.0002 .0022 .000 |
|
OH .1315 0 .3994 .825 .0123 .011 .015 .011 0 .001 0 |
|
F .1315 0 .3994 .175 .0123 .011 .015 .011 0 .001 0 |
|
|
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|
| |
|
Phlogopite-1M |
| |
Schingaro E, Scordari F, Ventruti G |
| |
European Journal of Mineralogy 13 (2001) 1057-1069 |
|
Trioctahedral micas-1M from Mt. Vulture (Italy): Structural |
|
disorder and crystal chemistry |
|
Sample: LC7N |
|
Locality: Mt. Vulture, Italy |
|
_database_code_amcsd 0006917 |
|
5.346 9.258 10.208 90 100.12 90 C2/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K 0 0 0 .86 .0374 .037 .035 .042 0 .009 0 |
|
Na 0 0 0 .05 .0374 .037 .035 .042 0 .009 0 |
|
Ba 0 0 0 .045 .0374 .037 .035 .042 0 .009 0 |
|
MgM2 0 .8358 .5 .595 .0157 .0119 .0163 .0206 0 .0036 0 |
|
FeM2 0 .8358 .5 .29 .0157 .0119 .0163 .0206 0 .0036 0 |
|
TiM2 0 .8358 .5 .115 .0157 .0119 .0163 .0206 0 .0036 0 |
|
MnM1 0 .5 .5 .01 .0147 .0140 .0112 .022 0 .0056 0 |
|
LiM1 0 .5 .5 .23 .0147 .0140 .0112 .022 0 .0056 0 |
|
MgM1 0 .5 .5 .25 .0147 .0140 .0112 .022 0 .0056 0 |
|
FeM1 0 .5 .5 .5 .0147 .0140 .0112 .022 0 .0056 0 |
|
SiT .5746 .1670 .2249 .6475 .0156 .0138 .0136 .0210 -.0006 .0043 .0001 |
|
AlT .5746 .1670 .2249 .3425 .0156 .0138 .0136 .0210 -.0006 .0043 .0001 |
|
FeT .5746 .1670 .2249 .01 .0156 .0138 .0136 .0210 -.0006 .0043 .0001 |
|
O1 .8262 .2295 .1672 .0274 .023 .028 .025 -.006 .006 -.003 |
|
O2 .5152 0 .1688 .0246 .032 .018 .026 0 .003 0 |
|
O3 .6307 .1678 .3911 .0176 .018 .016 .019 -.001 .004 .000 |
|
OH .1315 0 .3988 .795 .0171 .016 .020 .016 0 .003 0 |
|
F .1315 0 .3988 .09 .0171 .016 .020 .016 0 .003 0 |
|
O .1315 0 .3988 .115 .0171 .016 .020 .016 0 .003 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Phlogopite-1M |
| |
Schingaro E, Scordari F, Ventruti G |
| |
European Journal of Mineralogy 13 (2001) 1057-1069 |
|
Trioctahedral micas-1M from Mt. Vulture (Italy): Structural |
|
disorder and crystal chemistry |
|
Sample: LC7G |
|
Locality: Mt. Vulture, Italy |
|
_database_code_amcsd 0006918 |
|
5.327 9.225 10.236 90 99.99 90 C2/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K 0 0 0 .89 .0332 .035 .033 .033 0 .007 0 |
|
Na 0 0 0 .06 .0332 .035 .033 .033 0 .007 0 |
|
Ba 0 0 0 .02 .0332 .035 .033 .033 0 .007 0 |
|
AlM2 0 .8341 .5 .005 .0091 .008 .008 .013 0 .0024 0 |
|
MgM2 0 .8341 .5 .785 .0091 .008 .008 .013 0 .0024 0 |
|
FeM2 0 .8341 .5 .145 .0091 .008 .008 .013 0 .0024 0 |
|
TiM2 0 .8341 .5 .065 .0091 .008 .008 .013 0 .0024 0 |
|
MnM1 0 .5 .5 .01 .0086 .008 .006 .013 0 .003 0 |
|
FeM1 0 .5 .5 .31 .0086 .008 .006 .013 0 .003 0 |
|
MgM1 0 .5 .5 .56 .0086 .008 .006 .013 0 .003 0 |
|
SiT .5754 .1669 .2263 .645 .0091 .009 .0067 .014 -.0002 .0033 -.0003 |
|
AlT .5754 .1669 .2263 .355 .0091 .009 .0067 .014 -.0002 .0033 -.0003 |
|
O1 .832 .2237 .1699 .0252 .024 .031 .023 -.003 .007 -.003 |
|
O2 .506 0 .171 .0254 .029 .019 .029 0 .004 0 |
|
O3 .6305 .1671 .3923 .0072 .008 .005 .011 -.001 .004 -.000 |
|
OH .131 0 .3964 .88 .0099 .012 .010 .008 0 .002 0 |
|
F .131 0 .3964 .12 .0099 .012 .010 .008 0 .002 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Phlogopite |
|
Schingaro E, Scordari F, Ventruti G |
| |
European Journal of Mineralogy 13 (2001) 1057-1069 |
|
Trioctahedral micas-1M from Mt. Vulture (Italy): Structural |
|
disorder and crystal chemistry |
|
Sample: LC7G - C2 |
|
Locality: Mt. Vulture, Italy |
|
_database_code_amcsd 0006919 |
|
5.327 9.225 10.236 90 99.99 90 C2 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K 0 0 0 .7387 .0314 .0327 .0301 .0314 0 .0063 0 |
|
Na 0 0 0 .0498 .0314 .0327 .0301 .0314 0 .0063 0 |
|
Ba 0 0 0 .0166 .0314 .0327 .0301 .0314 0 .0063 0 |
|
AlM3 0 -.83424 .5 .005 .0099 .0088 .0078 .0145 0 .0028 0 |
|
MgM3 0 -.83424 .5 .785 .0099 .0088 .0078 .0145 0 .0028 0 |
|
FeM3 0 -.83424 .5 .145 .0099 .0088 .0078 .0145 0 .0028 0 |
|
TiM3 0 -.83424 .5 .065 .0099 .0088 .0078 .0145 0 .0028 0 |
|
AlM2 0 .83424 .5 .005 .0099 .0088 .0078 .0145 0 .0028 0 |
|
FeM2 0 .83424 .5 .145 .0099 .0088 .0078 .0145 0 .0028 0 |
|
TiM2 0 .83424 .5 .065 .0099 .0088 .0078 .0145 0 .0028 0 |
|
MgM2 0 .83424 .5 .785 .0099 .0088 .0078 .0145 0 .0028 0 |
|
MnM1 0 .5 .5 .01 .0089 .0086 .0059 .0155 0 .0042 0 |
|
FeM1 0 .5 .5 .31 .0089 .0086 .0059 .0155 0 .0042 0 |
|
MgM1 0 .5 .5 .56 .0089 .0086 .0059 .0155 0 .0042 0 |
|
SiT1 .57542 .16689 .22627 .53535 .0093 .0093 .0070 .0131 -.0001 .0030 .0001 |
|
AlT1 .57542 .16689 .22627 .29465 .0093 .0093 .0070 .0131 -.0001 .0030 .0001 |
|
SiT11 -.57542 -.16689 -.22627 .645 .0093 .0093 .0070 .0131 -.0004 -.001 -.0001 |
|
AlT11 -.57542 -.16689 -.22627 .355 .0093 .0093 .0070 .0131 -.0004 -.001 -.0001 |
|
O1 .8323 .2240 .1703 .83 .0184 .0199 .0204 .0175 -.0039 .0060 -.0033 |
|
O11 -.8323 -.2240 -.1703 .83 .0184 .0199 .0204 .0175 -.0039 .0060 -.0033 |
|
O2 .5054 0 .1698 .83 .0190 .025 .013 .020 0 -.001 0 |
|
O3 .6305 .1670 .3923 .0110 .0114 .0084 .0146 -.0004 .0036 .0004 |
|
O33 -.6305 -.1670 -.3923 .0110 .0114 .0084 .0146 -.0004 .0036 .0004 |
|
OH4 .1318 0 .3976 .71 .0123 .013 .0118 .013 0 .0027 0 |
|
OH .601 .501 .321 .1411 .015 |
|
F .601 .501 .321 .0996 .015 |
|
KD 0 .333 0 .1513 .0278 .034 .035 .019 0 .008 0 |
|
NaD 0 .333 0 .0102 .0278 .034 .035 .019 0 .008 0 |
|
BaD 0 .333 0 .0034 .0278 .034 .035 .019 0 .008 0 |
|
SiTD1 .5765 .508 .2262 .10965 .0093 .0093 .0070 .0131 -.0001 .0030 .0001 |
|
AlTD1 .5765 .508 .2262 .06035 .0093 .0093 .0070 .0131 -.0001 .0030 .0001 |
|
OD1 .829 .561 .172 .17 .0184 .0199 .0204 .0175 -.0039 .0060 -.0033 |
|
OD11 -.834 .108 -.171 .17 .0184 .0199 .0204 .0175 -.0039 .0060 -.0033 |
|
OD2 .512 .333 .168 .17 .0190 .025 .013 .020 0 -.001 0 |
|
OHD .592 .169 .307 .0289 .015 |
|
FD .592 .169 .307 .0204 .015 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Phlogopite |
|
Scordari F, Ventruti G, Sabato A, Bellatreccia F, Della Ventura G, Pedrazzi G |
| |
European Journal of Mineralogy 18 (2006) 379-391 |
|
Ti-rich phlogopite from Mt. Vulture (Potenza, Italy) investigated by a multianalytical, |
|
approach: substitutional mechanisms and orientation of the OH dipoles |
|
Locality: Cava St. Antonio, Mt. Vulture, Potenza, Italy |
|
Sample: SA1-3 |
|
_database_code_amcsd 0007151 |
|
5.337 9.239 10.237 90 100.030 90 C2/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K 0 .5 0 1.0657 .0321 .0309 .0332 .0321 0 .0052 0 |
|
Mg1 0 0 .5 .7460 .0114 .0095 .0094 .0158 0 .0032 0 |
|
Fe1 0 0 .5 .2539 .0114 .0095 .0094 .0158 0 .0032 0 |
|
Mg2 0 .33500 .5 .7496 .0120 .0081 .0136 .0143 0 .0017 0 |
|
Fe2 0 .33500 .5 .2504 .0120 .0081 .0136 .0143 0 .0017 0 |
|
Si .07516 .16682 .22580 .0117 .0102 .0108 .0142 .00004 .00212 .0000 |
|
O1 .3306 .22528 .16875 .0213 .0183 .0261 .0201 -.0059 .0051 -.0042 |
|
O2 .0068 0 .1696 .0204 .0262 .0162 .0174 0 -.0003 0 |
|
O3 .1307 .16761 .39126 .0128 .0126 .0123 .0139 .0000 .0031 -.0001 |
|
O4 .1324 .5 .3989 .0142 .0141 .0150 .0129 0 .0007 0 |
|
H .119 .5 .313 .7105 .0142 .0141 .0150 .0129 0 .0007 0 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Phlogopite |
|
Scordari F, Ventruti G, Sabato A, Bellatreccia F, Della Ventura G, Pedrazzi G |
| |
European Journal of Mineralogy 18 (2006) 379-391 |
|
Ti-rich phlogopite from Mt. Vulture (Potenza, Italy) investigated by a multianalytical, |
|
approach: substitutional mechanisms and orientation of the OH dipoles |
|
Locality: Cava St. Antonio, Mt. Vulture, Potenza, Italy |
|
Sample: SA1-5 |
|
_database_code_amcsd 0007152 |
|
5.334 9.240 10.235 90 100.021 90 C2/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K 0 .5 0 1.0653 .0308 .0304 .0304 .0316 0 .0055 0 |
|
Mg1 0 0 .5 .7554 .0109 .0098 .0080 .0158 0 .0042 0 |
|
Fe1 0 0 .5 .2447 .0109 .0098 .0080 .0158 0 .0042 0 |
|
Mg2 0 .33555 .5 .7462 .0119 .00852 .0131 .0142 0 .00214 0 |
|
Fe2 0 .33555 .5 .2538 .0119 .00852 .0131 .0142 0 .00214 0 |
|
Si .07514 .16687 .22577 .0107 .00994 .00927 .01315 .00008 .00240 .00008 |
|
O1 .3303 .22552 .16832 .0205 .0185 .0248 .0189 -.0064 .0051 -.0037 |
|
O2 .0063 0 .16935 .0201 .0264 .0140 .0185 0 .0001 0 |
|
O3 .13101 .16747 .39139 .0127 .0123 .0118 .0141 .0001 .0028 .0006 |
|
O4 .1324 .5 .39917 .0134 .0129 .0147 .0124 0 .0016 0 |
|
H .115 .5 .332 .7027 .0134 .0129 .0147 .0124 0 .0016 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Phlogopite |
|
Scordari F, Ventruti G, Sabato A, Bellatreccia F, Della Ventura G, Pedrazzi G |
| |
European Journal of Mineralogy 18 (2006) 379-391 |
|
Ti-rich phlogopite from Mt. Vulture (Potenza, Italy) investigated by a multianalytical, |
|
approach: substitutional mechanisms and orientation of the OH dipoles |
|
Locality: Cava St. Antonio, Mt. Vulture, Potenza, Italy |
|
Sample: SA1-9 |
|
_database_code_amcsd 0007153 |
|
5.337 9.238 10.228 90 100.050 90 C2/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K 0 .5 0 1.0170 .0309 .0320 .0305 .0302 0 .0054 0 |
|
Mg1 0 0 .5 .7403 .0095 .0091 .0069 .0128 0 .0035 0 |
|
Fe1 0 0 .5 .2589 .0095 .0091 .0069 .0128 0 .0035 0 |
|
Mg2 0 .33610 .5 .7256 .0107 .00755 .01274 .0117 0 .00109 0 |
|
Fe2 0 .33610 .5 .2742 .0107 .00755 .01274 .0117 0 .00109 0 |
|
Si .07503 .16690 .22570 .0091 .00903 .00808 .01012 .00009 .00158 .00019 |
|
O1 .3299 .22619 .16852 .0184 .0178 .0232 .0150 -.0063 .0049 -.0033 |
|
O2 .0087 0 .16952 .0185 .0261 .0133 .0146 0 -.0004 0 |
|
O3 .13035 .16764 .39156 .0110 .0109 .0109 .0113 .0004 .0022 .0003 |
|
O4 .1324 .5 .39905 .0119 .0122 .0133 .0100 0 .0012 0 |
|
H .114 .5 .317 .6806 .0119 .0122 .0133 .0100 0 .0012 0 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Phlogopite |
|
Scordari F, Ventruti G, Sabato A, Bellatreccia F, Della Ventura G, Pedrazzi G |
| |
European Journal of Mineralogy 18 (2006) 379-391 |
|
Ti-rich phlogopite from Mt. Vulture (Potenza, Italy) investigated by a multianalytical, |
|
approach: substitutional mechanisms and orientation of the OH dipoles |
|
Locality: Cava St. Antonio, Mt. Vulture, Potenza, Italy |
|
Sample: SA1-51 |
|
_database_code_amcsd 0007154 |
|
5.336 9.236 10.223 90 100.058 90 C2/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K 0 .5 0 1.0451 .0301 .0305 .0306 .0292 0 .00536 0 |
|
Mg1 0 0 .5 .7249 .0098 .00893 .00821 .01293 0 .00364 0 |
|
Fe1 0 0 .5 .2736 .0098 .00893 .00821 .01293 0 .00364 0 |
|
Mg2 0 .33579 .5 .7235 .0108 .00721 .01362 .01140 0 .00130 0 |
|
Fe2 0 .33579 .5 .2760 .0108 .00721 .01362 .01140 0 .00130 0 |
|
Si .07504 .16693 .22557 .0090 .00835 .00903 .00963 .00000 .00167 .00014 |
|
O1 .32969 .22605 .16825 .0190 .0175 .0249 .0153 -.0067 .00448 -.0035 |
|
O2 .0083 0 .16922 .0190 .0266 .0138 .0149 0 -.0007 0 |
|
O3 .13067 .16769 .39140 .0111 .01136 .01192 .01001 .00027 .00159 .00010 |
|
O4 .13192 .5 .39899 .0126 .0122 .0147 .0107 0 .0018 0 |
|
H .112 .5 .331 .6949 .0126 .0122 .0147 .0107 0 .0018 0 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Phlogopite |
|
Scordari F, Ventruti G, Sabato A, Bellatreccia F, Della Ventura G, Pedrazzi G |
| |
European Journal of Mineralogy 18 (2006) 379-391 |
|
Ti-rich phlogopite from Mt. Vulture (Potenza, Italy) investigated by a multianalytical, |
|
approach: substitutional mechanisms and orientation of the OH dipoles |
|
Locality: Cava St. Antonio, Mt. Vulture, Potenza, Italy |
|
Sample: SA1-52 |
|
_database_code_amcsd 0007155 |
|
5.335 9.242 10.231 90 100.001 90 C2/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K 0 .5 0 1.0091 .0315 .0313 .0321 .0316 0 .0068 0 |
|
Mg1 0 0 .5 .7370 .0107 .0096 .0084 .0148 0 .0042 0 |
|
Fe1 0 0 .5 .2625 .0107 .0096 .0084 .0148 0 .0042 0 |
|
Mg2 0 .33530 .5 .7303 .0116 .0081 .0132 .0137 0 .0022 0 |
|
Fe2 0 .33530 .5 .2696 .0116 .0081 .0132 .0137 0 .0022 0 |
|
Si .07514 .16686 .22597 .0103 .00939 .00923 .0125 -.0001 .00268 .0000 |
|
O1 .3301 .22632 .16888 .0201 .0182 .0246 .0181 -.0053 .0054 -.0034 |
|
O2 .0084 0 .1697 .0197 .0257 .0152 .0172 0 .0004 0 |
|
O3 .1306 .16728 .39175 .0121 .0122 .0114 .0129 -.0001 .0024 -.0006 |
|
O4 .1317 .5 .39840 .0125 .0118 .0133 .0125 0 .0025 0 |
|
H .113 .5 .317 .7015 .0125 .0118 .0133 .0125 0 .0025 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Phlogopite |
|
Ventruti G, Levy D, Pavese A, Scordari F, Suard E |
| |
European Journal of Mineralogy 21 (2009) 385-396 |
|
High-temperature treatment, hydrogen behaviour and cation |
|
partitioning of a Fe-Ti bearing volcanic phlogopite by in situ neutron |
|
powder diffraction and FTIR spectroscopy |
|
Locality: Cava St.Antonio, Mt.Vulture, Italy |
|
Note: Phlogopite-1M |
|
Note: T = 10 K |
|
_database_code_amcsd 0007274 |
|
5.3187 9.2104 10.1967 90 100.148 90 C2/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K 0 .5 0 .86 .013 |
|
Na 0 .5 0 .08 .013 |
|
Ba 0 .5 0 .04 .013 |
|
MgM1 0 0 .5 .59 .008 |
|
FeM1 0 0 .5 .23 .008 |
|
AlM1 0 0 .5 .17 .008 |
|
MnM1 0 0 .5 .01 .008 |
|
MgM2 0 .3329 .5 .69 .006 |
|
FeM2 0 .3329 .5 .22 .006 |
|
TiM2 0 .3329 .5 .09 .006 |
|
SiT .070 .1669 .2239 .68 .0102 |
|
AlT .070 .1669 .2239 .32 .0102 |
|
O1 .329 .2213 .1683 .019 |
|
O2 .001 0 .1673 .018 |
|
O3 .1318 .1667 .3903 .0132 |
|
O4 .130 .5 .3995 .94 .0161 |
|
F4 .130 .5 .3995 .06 .0161 |
|
H .099 .527 .315 .30 .040 .034 .05 .033 .013 -.019 .013 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Phlogopite |
|
Ventruti G, Levy D, Pavese A, Scordari F, Suard E |
| |
European Journal of Mineralogy 21 (2009) 385-396 |
|
High-temperature treatment, hydrogen behaviour and cation |
|
partitioning of a Fe-Ti bearing volcanic phlogopite by in situ neutron |
|
powder diffraction and FTIR spectroscopy |
|
Locality: Cava St.Antonio, Mt.Vulture, Italy |
|
Note: Phlogopite-1M |
|
Note: T = 298 K, neutron |
|
_database_code_amcsd 0007275 |
|
5.3291 9.2281 10.2279 90 100.078 90 C2/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K 0 .5 0 .86 .042 |
|
Na 0 .5 0 .08 .042 |
|
Ba 0 .5 0 .04 .042 |
|
MgM1 0 0 .5 .59 .011 |
|
FeM1 0 0 .5 .23 .011 |
|
AlM1 0 0 .5 .17 .011 |
|
MnM1 0 0 .5 .01 .011 |
|
MgM2 0 .3331 .5 .69 .012 |
|
FeM2 0 .3331 .5 .22 .012 |
|
TiM2 0 .3331 .5 .09 .012 |
|
SiT .072 .1681 .2247 .68 .0143 |
|
AlT .072 .1681 .2247 .32 .0143 |
|
O1 .327 .2253 .1663 .025 |
|
O2 .008 0 .171 .024 |
|
O3 .131 .1664 .3908 .015 |
|
O4 .129 .5 .3995 .94 .016 |
|
F4 .129 .5 .3995 .06 .016 |
|
H .100 .529 .320 .30 .05 .03 .05 .05 -.01 -.02 .01 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Phlogopite |
|
Ventruti G, Levy D, Pavese A, Scordari F, Suard E |
| |
European Journal of Mineralogy 21 (2009) 385-396 |
|
High-temperature treatment, hydrogen behaviour and cation |
|
partitioning of a Fe-Ti bearing volcanic phlogopite by in situ neutron |
|
powder diffraction and FTIR spectroscopy |
|
Locality: Cava St.Antonio, Mt.Vulture, Italy |
|
Note: Phlogopite-1M |
|
Note: T = 673 K, neutron |
|
_database_code_amcsd 0007276 |
|
5.3582 9.2816 10.2972 90 100.157 90 C2/m |
|
atom x y z occ Uiso |
|
K 0 .5 0 .86 .076 |
|
Na 0 .5 0 .08 .076 |
|
Ba 0 .5 0 .04 .076 |
|
MgM1 0 0 .5 .59 .015 |
|
FeM1 0 0 .5 .23 .015 |
|
AlM1 0 0 .5 .17 .015 |
|
MnM1 0 0 .5 .01 .015 |
|
MgM2 0 .3332 .5 .69 .020 |
|
FeM2 0 .3332 .5 .22 .020 |
|
TiM2 0 .3332 .5 .09 .020 |
|
SiT .071 .1664 .2253 .68 .0194 |
|
AlT .071 .1664 .2253 .32 .0194 |
|
O1 .319 .2332 .1688 .039 |
|
O2 .027 0 .168 .051 |
|
O3 .132 .1663 .3915 .026 |
|
O4 .127 .5 .3991 .94 .035 |
|
F4 .127 .5 .3991 .06 .035 |
|
H .084 .540 .322 .30 .13 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Phlogopite |
|
Ventruti G, Levy D, Pavese A, Scordari F, Suard E |
| |
European Journal of Mineralogy 21 (2009) 385-396 |
|
High-temperature treatment, hydrogen behaviour and cation |
|
partitioning of a Fe-Ti bearing volcanic phlogopite by in situ neutron |
|
powder diffraction and FTIR spectroscopy |
|
Locality: Cava St.Antonio, Mt.Vulture, Italy |
|
Note: Phlogopite-1M |
|
Note: T = 873 K, neutron |
|
_database_code_amcsd 0007277 |
|
5.3729 9.3057 10.3469 90 100.148 90 C2/m |
|
atom x y z occ Uiso |
|
K 0 .5 0 .86 .090 |
|
Na 0 .5 0 .08 .090 |
|
Ba 0 .5 0 .04 .090 |
|
MgM1 0 0 .5 .59 .022 |
|
FeM1 0 0 .5 .23 .022 |
|
AlM1 0 0 .5 .17 .022 |
|
MnM1 0 0 .5 .01 .022 |
|
MgM2 0 .3337 .5 .69 .023 |
|
FeM2 0 .3337 .5 .22 .023 |
|
TiM2 0 .3337 .5 .09 .023 |
|
SiT .069 .166 .2272 .68 .023 |
|
AlT .069 .166 .2272 .32 .023 |
|
O1 .314 .2365 .1715 .041 |
|
O2 .041 0 .168 .065 |
|
O3 .131 .1667 .3918 .030 |
|
O4 .128 .5 .4003 .94 .039 |
|
F4 .128 .5 .4003 .06 .039 |
|
H .086 .542 .324 .30 .16 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Phlogopite |
|
Ventruti G, Levy D, Pavese A, Scordari F, Suard E |
| |
European Journal of Mineralogy 21 (2009) 385-396 |
|
High-temperature treatment, hydrogen behaviour and cation |
|
partitioning of a Fe-Ti bearing volcanic phlogopite by in situ neutron |
|
powder diffraction and FTIR spectroscopy |
|
Locality: Cava St.Antonio, Mt.Vulture, Italy |
|
Note: Phlogopite-1M |
|
Note: T = 298 K, X-Ray |
|
_database_code_amcsd 0007278 |
|
5.3305 9.2301 10.2241 90 100.018 90 C2/m |
|
atom x y z occ Uiso |
|
K 0 .5 0 .86 .0247 |
|
Na 0 .5 0 .08 .0247 |
|
Ba 0 .5 0 .04 .0247 |
|
MgM1 0 0 .5 .59 .0053 |
|
FeM1 0 0 .5 .23 .0053 |
|
AlM1 0 0 .5 .17 .0053 |
|
MnM1 0 0 .5 .01 .0053 |
|
MgM2 0 .3347 .5 .69 .0089 |
|
FeM2 0 .3347 .5 .22 .0089 |
|
TiM2 0 .3347 .5 .09 .0089 |
|
SiT .078 .1661 .2254 .68 .0093 |
|
AlT .078 .1661 .2254 .32 .0093 |
|
O1 .331 .2279 .1668 .0264 |
|
O2 .010 0 .1647 .0204 |
|
O3 .131 .1676 .3920 .0113 |
|
O4 .133 .5 .3977 .34 .0164 |
|
OH4 .133 .5 .3977 .60 .0164 |
|
F4 .133 .5 .3977 .06 .0164 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Phlogopite |
|
Scordari F, Schingaro E, Ventruti G, Lacalamita M, Ottolini L |
| |
Physics and Chemistry of Minerals 35 (2008) 163-174 |
|
Red micas from basal ignimbrites of Mt. Vulture (Italy): interlayer content |
|
appraisal by a multi-methodic approach |
|
Locality: Mt. Vulture, Italy |
|
Note: Sample LC6_R7 |
|
_database_code_amcsd 0018308 |
|
5.3416 9.2411 10.2332 90 99.983 90 C2/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K 0 .5 0 .0328 .028 .028 .043 0 .0077 0 |
|
MgM1 0 0 .5 .799 .0101 .0075 .0068 .0170 0 .0047 0 |
|
FeM1 0 0 .5 .201 .0101 .0075 .0068 .0170 0 .0047 0 |
|
MgM2 0 .3375 .5 .718 .0111 .0064 .0111 .0157 0 .0014 0 |
|
FeM2 0 .3375 .5 .282 .0111 .0064 .0111 .0157 0 .0014 0 |
|
Si .0748 .1671 .2254 .0099 .0070 .0075 .0154 .0001 .0027 -.0001 |
|
O1 .3286 .2271 .1690 .0194 .017 .022 .021 -.0053 .0056 -.004 |
|
O2 .0105 0 .1703 .0201 .025 .014 .020 0 .000 0 |
|
O3 .1317 .1682 .3925 .0108 .0078 .0084 .016 -.0003 .0026 .0001 |
|
O4 .1334 .5 .4001 .0113 .010 .010 .014 0 .003 0 |
|
H .11 .5 .311 .795 .0113 .010 .010 .014 0 .003 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Phlogopite |
|
Scordari F, Schingaro E, Ventruti G, Lacalamita M, Ottolini L |
| |
Physics and Chemistry of Minerals 35 (2008) 163-174 |
|
Red micas from basal ignimbrites of Mt. Vulture (Italy): interlayer content |
|
appraisal by a multi-methodic approach |
|
Locality: Mt. Vulture, Italy |
|
Note: Sample LC6_R29 |
|
_database_code_amcsd 0018309 |
|
5.3400 9.2376 10.2414 90 100.014 90 C2/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K 0 .5 0 .0313 .026 .025 .044 0 .008 0 |
|
MgM1 0 0 .5 .778 .0105 .008 .007 .017 0 .004 0 |
|
FeM1 0 0 .5 .222 .0105 .008 .007 .017 0 .004 0 |
|
MgM2 0 .3371 .5 .705 .0114 .0080 .0104 .0155 0 .0017 0 |
|
FeM2 0 .3371 .5 .295 .0114 .0080 .0104 .0155 0 .0017 0 |
|
Si .0747 .1672 .2251 .0106 .0087 .0088 .0143 -.0007 .0023 -.0009 |
|
O1 .3274 .2287 .1690 .0228 .020 .030 .019 -.011 .005 -.005 |
|
O2 .013 0 .1708 .0221 .030 .013 .021 0 -.002 0 |
|
O3 .1317 .1693 .3923 .0138 .013 .013 .015 .000 .002 .000 |
|
O4 .132 .5 .3997 .0158 .016 .015 .017 0 .005 0 |
|
H .11 .5 .310 .777 .0158 .016 .015 .017 0 .005 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Phlogopite |
|
Scordari F, Schingaro E, Ventruti G, Lacalamita M, Ottolini L |
| |
Physics and Chemistry of Minerals 35 (2008) 163-174 |
|
Red micas from basal ignimbrites of Mt. Vulture (Italy): interlayer content |
|
appraisal by a multi-methodic approach |
|
Locality: Mt. Vulture, Italy |
|
Note: Sample LC7_R2 |
|
_database_code_amcsd 0018310 |
|
5.3369 9.2355 10.2267 90 100.050 90 C2/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K 0 .5 0 .0345 .027 .030 .047 0 .008 0 |
|
MgM1 0 0 .5 .805 .0129 .008 .008 .024 0 .006 0 |
|
FeM1 0 0 .5 .195 .0129 .008 .008 .024 0 .006 0 |
|
MgM2 0 .3352 .5 .765 .0137 .0063 .0127 .022 0 .0024 0 |
|
FeM2 0 .3352 .5 .235 .0137 .0063 .0127 .022 0 .0024 0 |
|
Si .0751 .1672 .2256 .0125 .0072 .0108 .0197 .0001 .0030 -.0002 |
|
O1 .3277 .2285 .1695 .0218 .016 .023 .027 -.005 .006 -.002 |
|
O2 .0129 0 .1704 .0214 .024 .013 .026 0 .001 0 |
|
O3 .1307 .1683 .3919 .0141 .009 .013 .021 .001 .004 .001 |
|
O4 .1327 .5 .4004 .0121 .011 .012 .013 0 .001 0 |
|
H .09 .5 .311 .536 .0121 .011 .012 .013 0 .001 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Phlogopite |
|
Scordari F, Schingaro E, Ventruti G, Lacalamita M, Ottolini L |
| |
Physics and Chemistry of Minerals 35 (2008) 163-174 |
|
Red micas from basal ignimbrites of Mt. Vulture (Italy): interlayer content |
|
appraisal by a multi-methodic approach |
|
Locality: Mt. Vulture, Italy |
|
Note: Sample LC7_R4 |
|
_database_code_amcsd 0018311 |
|
5.3237 9.2149 10.1597 90 99.970 90 C2/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K 0 .5 0 .0295 .0275 .0274 .0337 0 .0057 0 |
|
MgM1 0 0 .5 .7679 .0101 .0089 .0079 .0143 0 .0039 0 |
|
FeM1 0 0 .5 .2321 .0101 .0089 .0079 .0143 0 .0039 0 |
|
MgM2 0 .34164 .5 .6534 .0117 .0077 .0143 .0131 0 .0015 0 |
|
FeM2 0 .34164 .5 .3466 .0117 .0077 .0143 .0131 0 .0015 0 |
|
Si .07345 .16719 .22403 .0097 .0087 .0087 .0117 .0001 .0019 .0001 |
|
O1 .3274 .2270 .1664 .0181 .0164 .0220 .0164 -.0051 .0046 -.0031 |
|
O2 .0088 0 .1682 .0183 .0234 .0129 .0173 0 0 0 |
|
O3 .1297 .1685 .3915 .0104 .0095 .0098 .0121 .0004 .0018 .0001 |
|
O4 .1356 .5 .4013 .0109 .0107 .0113 .0110 0 .0030 0 |
|
H .12 .5 .315 .195 .0109 .0107 .0113 .0110 0 .0032 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Phlogopite |
|
Scordari F, Schingaro E, Ventruti G, Lacalamita M, Ottolini L |
| |
Physics and Chemistry of Minerals 35 (2008) 163-174 |
|
Red micas from basal ignimbrites of Mt. Vulture (Italy): interlayer content |
|
appraisal by a multi-methodic approach |
|
Locality: Mt. Vulture, Italy |
|
Note: Sample LC7_R5 |
|
_database_code_amcsd 0018312 |
|
5.3269 9.2220 10.1290 90 100.027 90 C2/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K 0 .5 0 .0278 .0262 .0242 .0331 0 .0053 0 |
|
MgM1 0 0 .5 .7154 .0098 .0089 .0069 .0140 0 .0035 0 |
|
FeM1 0 0 .5 .2846 .0098 .0089 .0069 .0140 0 .0035 0 |
|
MgM2 0 .34366 .5 .5922 .0112 .0073 .0131 .0130 0 .0013 0 |
|
FeM2 0 .34366 .5 .4078 .0112 .0073 .0131 .0130 0 .0013 0 |
|
Si .07316 .16730 .22292 .0094 .0087 .0078 .0117 0 .0016 .0002 |
|
O1 .3256 .2285 .1652 .0190 .0177 .0219 .0177 -.0058 .0043 -.0030 |
|
O2 .0112 0 .1673 .0197 .0273 .0129 .0174 0 0 0 |
|
O3 .1300 .16904 .39149 .0103 .0103 .0091 .0113 -.0004 .0014 -.0004 |
|
O4 .1359 .5 .4010 .0117 .0123 .0110 .0119 0 .0028 0 |
|
H .09 .5 .312 .120 .0117 .0123 .0110 .0119 0 .0028 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
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