|
Cummingtonite |
 |
Fischer K F |
 |
American Mineralogist 51 (1966) 814-818 |
|
A further refinement of the crystal structure of cummingtonite |
|
(Mg,Fe)7(Si4O11)2(OH)2 |
|
_database_code_amcsd 0000145 |
|
9.51 18.19 5.33 90 101.9 90 C2/m |
|
atom x y z occ Biso |
|
Si1 .2874 .0842 .2746 .36 |
|
Si2 .2977 .1688 .7817 .43 |
|
Mg1 0 .0872 1/2 .84 .38 |
|
Fe1 0 .0872 1/2 .16 .38 |
|
Mg2 0 .1773 0 .95 .36 |
|
Fe2 0 .1773 0 .05 .36 |
|
Mg3 0 0 0 .84 .30 |
|
Fe3 0 0 0 .16 .30 |
|
Mg4 0 .2597 1/2 .13 .79 |
|
Fe4 0 .2597 1/2 .87 .79 |
|
O1 .1135 .0874 .2087 .56 |
|
O2 .1232 .1721 .7193 .67 |
|
O3 .1134 0 .7067 .81 |
|
O4 .3798 .2460 .7716 .89 |
|
O5 .3514 .1310 .0659 .89 |
|
O6 .3488 .1185 .5597 1.01 |
|
O7 .3417 0 .2719 .88 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
|
| |
|
Cummingtonite |
|
Ghose S, Yang H |
|
American Mineralogist 74 (1989) 1091-1096 |
|
Mn-Mg distribution in a C2/m manganoan cummingtonite: Crystal-chemical |
|
considerations |
|
_database_code_amcsd 0001266 |
|
9.6045 18.1244 5.3251 90 102.642 90 C2/m |
|
atom x y z occ Uiso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Mn1 0 .0868 .5 .150 .00074 .00087 .00095 0 .00035 0 |
|
Mg1 0 .0868 .5 .850 .00074 .00087 .00095 0 .00035 0 |
|
Mn2 0 .1769 0 .106 .00067 .00053 .00075 0 .00024 0 |
|
Mg2 0 .1769 0 .894 .00067 .00053 .00075 0 .00024 0 |
|
Mn3 0 0 0 .062 .00053 .00061 .00042 0 .00022 0 |
|
Mg3 0 0 0 .938 .00053 .00061 .00042 0 .00022 0 |
|
Ca4 0 .2635 .5 .120 .00134 .00137 .00149 0 .00071 0 |
|
Mn4 0 .2635 .5 .836 .00134 .00137 .00149 0 .00071 0 |
|
Mg4 0 .2635 .5 .044 .00134 .00137 .00149 0 .00071 0 |
|
Si1 .2951 .1699 .7839 .00074 .00065 .00091 -.00007 .00021 -.00004 |
|
Si2 .2868 .0842 .2776 .00081 .00085 .00089 -.00008 .00024 .00004 |
|
O1 .1143 .0860 .2122 .00051 .00086 .00125 -.00002 .00011 .00000 |
|
O2 .1214 .1721 .7179 .00086 .00102 .00121 -.00004 .00022 .00018 |
|
O3 .1135 0 .7122 .00084 .00078 .00113 0 .00026 0 |
|
O4 .3745 .2470 .7759 .00141 .00120 .00109 -.00043 .00026 .00010 |
|
O5 .3492 .1298 .0655 .00098 .00160 .00122 -.00017 .00032 .00046 |
|
O6 .3494 .1215 .5575 .00095 .00193 .00136 .00021 .00026 -.00047 |
|
O7 .3444 0 .2803 .00109 .00060 .00233 0 .00033 0 |
|
H .195 0 .787 .0019 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
|
| |
|
Cummingtonite |
|
Yang H, Hirschmann M M |
|
American Mineralogist 80 (1995) 916-922 |
|
Crystal structure of P2_1/m ferromagnesian amphibole and the role of cation |
|
ordering and composition in the P2_1/m - C2/m transition in cummingtonite |
|
Sample: UH1, untreated |
|
_database_code_amcsd 0001752 |
|
9.5015 18.1289 5.3089 90 102.090 90 C2/m |
|
atom x y z occ Biso |
|
Fe1 0 .0869 .5 .200 .671 |
|
Mg1 0 .0869 .5 .800 .671 |
|
Fe2 0 .1771 0 .091 .693 |
|
Mg2 0 .1771 0 .903 .693 |
|
Al2 0 .1771 0 .006 .693 |
|
Fe3 0 0 0 .164 .521 |
|
Mg3 0 0 0 .836 .521 |
|
Fe4 0 .2589 .5 .906 .931 |
|
Mg4 0 .2589 .5 .051 .931 |
|
Ca4 0 .2589 .5 .043 .931 |
|
Si1 .2879 .0842 .2745 .561 |
|
Si2 .2979 .1688 .7812 .572 |
|
O1 .1142 .0869 .2092 .681 |
|
O2 .1232 .1721 .7193 .722 |
|
O3 .1133 0 .7068 .846 |
|
O4 .3805 .2454 .7689 .917 |
|
O5 .3514 .1313 .0646 1.036 |
|
O6 .3499 .1185 .5586 1.177 |
|
O7 .3434 0 .2699 1.026 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
|
| |
|
Cummingtonite |
|
Yang H, Hirschmann M M |
|
American Mineralogist 80 (1995) 916-922 |
|
Crystal structure of P2_1/m ferromagnesian amphibole and the role of cation |
|
ordering and composition in the P2_1/m - C2/m transition in cummingtonite |
|
Sample: 11a, heat treated at 600 C |
|
_database_code_amcsd 0001753 |
|
9.5048 18.1343 5.3077 90 102.009 90 P2_1/m |
|
atom x y z occ Biso |
|
Fe1 -.2499 .3369 .4929 .258 .692 |
|
Mg1 -.2499 .3369 .4929 .742 .692 |
|
Fe2 -.2501 .4273 .9923 .165 .653 |
|
Mg2 -.2501 .4273 .9923 .828 .653 |
|
Al2 -.2501 .4273 .9923 .007 .653 |
|
Fe3 -.2497 .25 .9940 .220 .567 |
|
Mg3 -.2497 .25 .9940 .780 .567 |
|
Fe4 -.2510 .5089 .4903 .778 .931 |
|
Mg4 -.2510 .5089 .4903 .167 .931 |
|
Ca4 -.2510 .5089 .4903 .055 .931 |
|
Si1a .0383 .3343 .2652 .514 |
|
Si2a .0467 .4194 .7718 .539 |
|
Si1b .5374 .8339 .2814 .524 |
|
Si2b .5487 .9182 .7876 .549 |
|
O1a -.1353 .3368 .2024 .586 |
|
O2a -.1278 .4223 .7089 .739 |
|
O3a -.1349 .25 .7006 .743 |
|
O4a .1292 .4968 .7756 .923 |
|
O5a .1001 .3756 .0421 1.052 |
|
O6a .1021 .3756 .5371 1.213 |
|
O7a .0945 .25 .2851 1.153 |
|
O1b .3641 .8370 .2161 .688 |
|
O2b .3742 .9229 .7262 .674 |
|
O3b .3619 .75 .7143 .854 |
|
O4b .6324 .9938 .7633 .927 |
|
O5b .6017 .8847 .0794 .915 |
|
O6b .5979 .8636 .5732 .972 |
|
O7b .5927 .75 .2613 .841 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Cummingtonite |
|
Yang H, Hirschmann M M |
|
American Mineralogist 80 (1995) 916-922 |
|
Crystal structure of P2_1/m ferromagnesian amphibole and the role of cation |
|
ordering and composition in the P2_1/m - C2/m transition in cummingtonite |
|
Sample: 1c, heat treated at 700 C |
|
_database_code_amcsd 0001754 |
|
9.5057 18.1187 5.3059 90 102.031 90 P2_1/m |
|
atom x y z occ Biso |
|
Fe1 -.2493 .3369 .4923 .25 .673 |
|
Mg1 -.2493 .3369 .4923 .75 .673 |
|
Fe2 -.2501 .4273 .9914 .163 .650 |
|
Mg2 -.2501 .4273 .9914 .830 .650 |
|
Al2 -.2501 .4273 .9914 .007 .650 |
|
Fe3 -.2495 .25 .9933 .221 .544 |
|
Mg3 -.2495 .25 .9933 .789 .544 |
|
Fe4 -.2517 .5089 .4897 .713 .916 |
|
Mg4 -.2517 .5089 .4897 .237 .916 |
|
Ca4 -.2517 .5089 .4897 .050 .916 |
|
Si1a .0386 .3344 .2649 .614 |
|
Si2a .0461 .4194 .7710 .575 |
|
Si1b .5368 .8339 .2818 .499 |
|
Si2b .5491 .9183 .7880 .595 |
|
O1a -.1354 .3368 .2025 .747 |
|
O2a -.1275 .4228 .7075 .655 |
|
O3a -.1362 .25 .7009 .773 |
|
O4a .1285 .4972 .7774 .965 |
|
O5a .1011 .3751 .0403 1.074 |
|
O6a .1036 .3756 .5360 1.126 |
|
O7a .0951 .25 .2865 .887 |
|
O1b .3640 .8371 .2163 .636 |
|
O2b .3740 .9229 .7267 .783 |
|
O3b .3634 .75 .7160 .979 |
|
O4b .6326 .9937 .7620 .873 |
|
O5b .6004 .8850 .0801 .920 |
|
O6b .5965 .8633 .5744 1.093 |
|
O7b .5918 .75 .2593 1.167 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
|
| |
|
Cummingtonite |
|
Yang H, Smyth J R |
|
American Mineralogist 81 (1996) 363-368 |
|
Crystal structure of a P2_1/m ferromagnesian cummingtonite at 140 K |
|
T = 140 K |
|
_database_code_amcsd 0001788 |
|
9.492 18.093 5.292 90 102.11 90 P2_1/m |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Mg1 -.2496 .3369 .4888 .800 .0013 .0002 .0022 -.0001 .0005 .0001 |
|
Fe1 -.2496 .3369 .4888 .200 .0013 .0002 .0022 -.0001 .0005 .0001 |
|
Mg2 -.2503 .4270 .9886 .911 .0014 .0003 .0022 -.0001 .0002 .0000 |
|
Fe2 -.2503 .4270 .9886 .089 .0014 .0003 .0022 -.0001 .0002 .0000 |
|
Mg3 -.2491 .25 .9905 .831 .0013 .0003 .0024 0 .0002 0 |
|
Fe3 -.2491 .25 .9905 .169 .0013 .0003 .0024 0 .0002 0 |
|
Mg4 -.2522 .5094 .4848 .094 .0014 .0004 .0015 .0000 .0006 .0000 |
|
Fe4 -.2522 .5094 .4848 .906 .0014 .0004 .0015 .0000 .0006 .0000 |
|
Si1a .0385 .3346 .2626 .0008 .0002 .0020 .0000 -.0001 .0000 |
|
Si1b .5378 .8335 .2874 .0014 .0002 .0017 -.0001 .0004 .0000 |
|
Si2a .0460 .4200 .7688 .0013 .0002 .0021 -.0001 .0001 .0000 |
|
Si2b .5494 .9175 .7937 .0008 .0003 .0015 -.0001 -.0003 .0001 |
|
O1a -.1352 .3368 .1992 .0008 .0004 .0019 .0000 .0002 -.0002 |
|
O1b .3647 .8374 .2194 .0019 .0001 .0044 .0001 .0005 .0004 |
|
O2a -.1280 .4222 .7057 .0014 .0003 .0047 -.0002 .0010 .0000 |
|
O2b .3750 .9223 .7316 .0009 .0003 .0043 .0001 .0002 .0004 |
|
O3a -.1336 .25 .6986 .0024 .0004 .0035 0 .0010 0 |
|
O3b .3613 .75 .7171 .0015 .0002 .0036 0 .0001 0 |
|
O4a .1280 .4977 .7811 .0010 .0002 .0047 -.0002 -.0005 .0003 |
|
O4b .6329 .9929 .7613 .0025 .0006 .0037 -.0003 .0009 -.0004 |
|
O5a .1010 .3733 .0341 .0013 .0005 .0036 -.0001 .0003 .0010 |
|
O5b .6032 .8871 .0905 .0016 .0003 .0025 .0001 .0001 .0002 |
|
O6a .1035 .3783 .5313 .0015 .0006 .0039 .0002 -.0005 -.0004 |
|
O6b .5974 .8605 .5827 .0011 .0006 .0029 .0002 -.0002 -.0003 |
|
O7a .0948 .25 .2917 .0021 .0005 .0032 0 -.0002 0 |
|
O7b .5925 .75 .2579 .0012 .0002 .0058 0 .0016 0 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Cummingtonite |
|
Yang H, Smyth J R |
|
American Mineralogist 81 (1996) 363-368 |
|
Crystal structure of a P2_1/m ferromagnesian cummingtonite at 140 K |
|
T = 295 K |
|
_database_code_amcsd 0001789 |
|
9.502 18.126 5.309 90 102.07 90 C2/m |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Mg1 0 .0869 .5 .800 .0021 .0004 .0036 0 .0008 0 |
|
Fe1 0 .0869 .5 .200 .0021 .0004 .0036 0 .0008 0 |
|
Mg2 0 .1772 0 .911 .0017 .0004 .0048 0 .0004 0 |
|
Fe2 0 .1772 0 .089 .0017 .0004 .0048 0 .0004 0 |
|
Mg3 0 0 0 .831 .0020 .0004 .0046 0 .0001 0 |
|
Fe3 0 0 0 .169 .0020 .0004 .0046 0 .0001 0 |
|
Mg4 0 .2591 .5 .094 .0024 .0007 .0056 0 .0014 0 |
|
Fe4 0 .2591 .5 .906 .0024 .0007 .0056 0 .0014 0 |
|
Si1 .2877 .0841 .2744 .0014 .0003 .0036 -.0001 .0002 -.0001 |
|
Si2 .2977 .1689 .7811 .0012 .0003 .0034 -.0001 .0001 .0000 |
|
O1 .1138 .0871 .2094 .0013 .0005 .0045 .0000 .0004 -.0001 |
|
O2 .1240 .1724 .7194 .0016 .0005 .0057 .0000 .0003 .0004 |
|
O3 .1143 0 .7088 .0022 .0004 .0073 0 .0009 0 |
|
O4 .3803 .2453 .7696 .0030 .0006 .0076 -.0004 .0005 .0002 |
|
O5 .3517 .1312 .0645 .0019 .0009 .0065 -.0001 .0005 .0014 |
|
O6 .3500 .1184 .5588 .0022 .0013 .0077 .0003 -.0001 -.0012 |
|
O7 .3433 0 .2710 .0027 .0002 .0125 0 .0010 0 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Cummingtonite |
|
Yang H, Hazen R M, Prewitt C T, Finger L W, Lu R, Hemley R J |
|
American Mineralogist 83 (1998) 288-299 |
|
High-pressure single-crystal X-ray diffraction and infrared spectroscopic |
|
studies of the C2/m-P2_1/m phase transition in cummingtonite |
|
Sample: P = 0.00 GPa, in air |
|
_database_code_amcsd 0001970 |
|
9.5220 18.1833 5.3184 90 102.020 90 C2/m |
|
atom x y z occ Biso |
|
Fe1 0 .0874 .5 .405 .75 |
|
Mg1 0 .0874 .5 .595 .75 |
|
Fe2 0 .1776 0 .207 .78 |
|
Mg2 0 .1776 0 .789 .78 |
|
Al2 0 .1776 0 .004 .78 |
|
Fe3 0 0 0 .393 .61 |
|
Mg3 0 0 0 .607 .61 |
|
Fe4 0 .2592 .5 .927 .93 |
|
Mg4 0 .2592 .5 .035 .93 |
|
Ca4 0 .2592 .5 .038 .93 |
|
Si1 .2865 .0841 .2735 .67 |
|
Si2 .2972 .1685 .7800 .60 |
|
O1 .1139 .0875 .2070 .76 |
|
O2 .1243 .1729 .7181 .90 |
|
O3 .1181 0 .7081 .87 |
|
O4 .3808 .2450 .7682 .95 |
|
O5 .3518 .1302 .0622 .86 |
|
O6 .3504 .1190 .5558 1.17 |
|
O7 .3433 0 .2723 .94 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Cummingtonite |
|
Yang H, Hazen R M, Prewitt C T, Finger L W, Lu R, Hemley R J |
|
American Mineralogist 83 (1998) 288-299 |
|
High-pressure single-crystal X-ray diffraction and infrared spectroscopic |
|
studies of the C2/m-P2_1/m phase transition in cummingtonite |
|
Sample: P = 0.60 GPa |
|
_database_code_amcsd 0001971 |
|
9.4890 18.1508 5.3102 90 102.210 90 C2/m |
|
atom x y z occ Biso |
|
Fe1 0 .0871 .5 .405 .69 |
|
Mg1 0 .0871 .5 .595 .69 |
|
Fe2 0 .1776 0 .207 .71 |
|
Mg2 0 .1776 0 .789 .71 |
|
Al2 0 .1776 0 .004 .71 |
|
Fe3 0 0 0 .393 .70 |
|
Mg3 0 0 0 .607 .70 |
|
Fe4 0 .2590 .5 .927 .92 |
|
Mg4 0 .2590 .5 .035 .92 |
|
Ca4 0 .2590 .5 .038 .92 |
|
Si1 .2883 .0840 .2757 .60 |
|
Si2 .2978 .1686 .7818 .63 |
|
O1 .1160 .0871 .2096 .79 |
|
O2 .1266 .1724 .7202 .69 |
|
O3 .1166 0 .7093 .80 |
|
O4 .3807 .2451 .7675 1.07 |
|
O5 .3527 .1309 .0640 .85 |
|
O6 .3524 .1184 .5607 1.24 |
|
O7 .3432 0 .2694 1.02 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Cummingtonite |
|
Yang H, Hazen R M, Prewitt C T, Finger L W, Lu R, Hemley R J |
|
American Mineralogist 83 (1998) 288-299 |
|
High-pressure single-crystal X-ray diffraction and infrared spectroscopic |
|
studies of the C2/m-P2_1/m phase transition in cummingtonite |
|
Sample: P = 1.10 GPa |
|
_database_code_amcsd 0001972 |
|
9.4638 18.1333 5.3022 90 102.372 90 C2/m |
|
atom x y z occ Biso |
|
Fe1 0 .0869 .5 .405 .76 |
|
Mg1 0 .0869 .5 .595 .76 |
|
Fe2 0 .1770 0 .207 .65 |
|
Mg2 0 .1770 0 .789 .65 |
|
Al2 0 .1770 0 .004 .65 |
|
Fe3 0 0 0 .393 .71 |
|
Mg3 0 0 0 .607 .71 |
|
Fe4 0 .2591 .5 .927 .90 |
|
Mg4 0 .2591 .5 .035 .90 |
|
Ca4 0 .2591 .5 .038 .90 |
|
Si1 .2890 .0840 .2764 .61 |
|
Si2 .2979 .1686 .7823 .68 |
|
O1 .1179 .0871 .2105 .62 |
|
O2 .1276 .1727 .7220 .83 |
|
O3 .1174 0 .7079 .89 |
|
O4 .3801 .2454 .7663 1.08 |
|
O5 .3534 .1314 .0677 .83 |
|
O6 .3530 .1182 .5625 1.17 |
|
O7 .3447 0 .2709 .72 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Cummingtonite |
|
Yang H, Hazen R M, Prewitt C T, Finger L W, Lu R, Hemley R J |
|
American Mineralogist 83 (1998) 288-299 |
|
High-pressure single-crystal X-ray diffraction and infrared spectroscopic |
|
studies of the C2/m-P2_1/m phase transition in cummingtonite |
|
Sample: P = 1.32 GPa |
|
_database_code_amcsd 0001973 |
|
9.4498 18.1083 5.2978 90 102.417 90 P2_1/m |
|
atom x y z occ Biso |
|
Fe1 -.2458 .3370 .4938 .405 .66 |
|
Mg1 -.2458 .3370 .4938 .595 .66 |
|
Fe2 -.2521 .4268 .9940 .207 .73 |
|
Mg2 -.2521 .4268 .9940 .789 .73 |
|
Al2 -.2521 .4268 .9940 .004 .73 |
|
Fe3 -.2516 .25 .9895 .393 .64 |
|
Mg3 -.2516 .25 .9895 .607 .64 |
|
Fe4 -.2604 .5093 .4841 .927 .78 |
|
Mg4 -.2604 .5093 .4841 .035 .78 |
|
Ca4 -.2604 .5093 .4841 .038 .78 |
|
Si1A .0430 .3364 .2768 .60 |
|
Si1B .5352 .8315 .2768 .51 |
|
Si2A .0516 .4198 .7808 .65 |
|
Si2B .5453 .9175 .7847 .74 |
|
O1A -.1353 .3395 .2194 .73 |
|
O1B .3683 .8343 .2022 .66 |
|
O2A -.1279 .4253 .7101 .56 |
|
O2B .3811 .9198 .7315 .62 |
|
O3A -.1176 .25 .7216 .76 |
|
O3B .3574 .75 .6985 .66 |
|
O4A .1327 .4961 .7701 1.11 |
|
O4B .6262 .9953 .7639 1.19 |
|
O5A .1059 .3774 .0463 .69 |
|
O5B .5976 .8862 .0833 .75 |
|
O6A .1025 .3744 .5489 .93 |
|
O6B .6065 .8615 .5796 1.08 |
|
O7A .0909 .25 .2880 .64 |
|
O7B .6027 .75 .2526 .54 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Cummingtonite |
|
Yang H, Hazen R M, Prewitt C T, Finger L W, Lu R, Hemley R J |
|
American Mineralogist 83 (1998) 288-299 |
|
High-pressure single-crystal X-ray diffraction and infrared spectroscopic |
|
studies of the C2/m-P2_1/m phase transition in cummingtonite |
|
Sample: P = 2.97 GPa |
|
_database_code_amcsd 0001974 |
|
9.3798 18.0078 5.2659 90 102.723 90 P2_1/m |
|
atom x y z occ Biso |
|
Fe1 -.2491 .3367 .4858 .405 .72 |
|
Mg1 -.2491 .3367 .4858 .595 .72 |
|
Fe2 -.2510 .4262 .9837 .207 .74 |
|
Mg2 -.2510 .4262 .9837 .789 .74 |
|
Al2 -.2510 .4262 .9837 .004 .74 |
|
Fe3 -.2477 .25 .9873 .393 .70 |
|
Mg3 -.2477 .25 .9873 .607 .70 |
|
Fe4 -.2564 .5101 .4793 .927 .89 |
|
Mg4 -.2564 .5101 .4793 .035 .89 |
|
Ca4 -.2564 .5101 .4793 .038 .89 |
|
Si1A .0417 .3345 .2633 .71 |
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Si1B .5426 .8335 .2960 .52 |
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Si2A .0465 .4204 .7705 .67 |
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Si2B .5525 .9169 .8017 .66 |
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O1A -.1297 .3359 .2012 1.24 |
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O1B .3666 .8375 .2207 .56 |
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O2A -.1284 .4218 .7014 .56 |
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O2B .3820 .9218 .7413 1.03 |
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O3A -.1234 .25 .7034 1.25 |
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O3B .3674 .75 .7261 .57 |
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O4A .1284 .4991 .7789 .79 |
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O4B .6314 .9927 .7584 1.15 |
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O5A .1079 .3737 .0365 .74 |
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O5B .6028 .8896 .0993 .47 |
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O6A .1095 .3777 .5346 .97 |
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O6B .6031 .8589 .5978 .99 |
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O7A .0985 .25 .2938 .49 |
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O7B .6051 .75 .2587 .85 |
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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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Cummingtonite |
|
Yang H, Hazen R M, Prewitt C T, Finger L W, Lu R, Hemley R J |
|
American Mineralogist 83 (1998) 288-299 |
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High-pressure single-crystal X-ray diffraction and infrared spectroscopic |
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studies of the C2/m-P2_1/m phase transition in cummingtonite |
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Sample: P = 5.09 GPa |
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_database_code_amcsd 0001975 |
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9.2993 17.8900 5.2321 90 102.979 90 P2_1/m |
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atom x y z occ Biso |
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Fe1 -.2497 .3364 .4800 .405 .57 |
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Mg1 -.2497 .3364 .4800 .595 .57 |
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Fe2 -.2522 .4253 .9785 .207 .77 |
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Mg2 -.2522 .4253 .9785 .789 .77 |
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Al2 -.2522 .4253 .9785 .004 .77 |
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Fe3 -.2492 .25 .9829 .393 .71 |
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Mg3 -.2492 .25 .9829 .607 .71 |
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Fe4 -.2577 .5107 .4715 .927 .68 |
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Mg4 -.2577 .5107 .4715 .035 .68 |
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Ca4 -.2577 .5107 .4715 .038 .68 |
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Si1A .0434 .3347 .2591 .56 |
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Si1B .5464 .8330 .3051 .70 |
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Si2A .0461 .4208 .7656 .72 |
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Si2B .5545 .9167 .8084 .63 |
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O1A -.1322 .3356 .1933 1.03 |
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O1B .3700 .8370 .2262 .81 |
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O2A -.1259 .4215 .6986 .55 |
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O2B .3790 .9211 .7446 .68 |
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O3A -.1292 .25 .6951 .75 |
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O3B .3743 .75 .7300 .83 |
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O4A .1241 .4993 .7863 .79 |
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O4B .6333 .9933 .7536 .67 |
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O5A .1096 .3718 .0281 .81 |
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O5B .6098 .8918 .1170 .63 |
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O6A .1126 .3817 .5277 .76 |
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O6B .6038 .8561 .6099 .91 |
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O7A .1066 .25 .3033 .96 |
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O7B .6057 .75 .2616 .75 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Cummingtonite |
|
Yang H, Hazen R M, Prewitt C T, Finger L W, Lu R, Hemley R J |
|
American Mineralogist 83 (1998) 288-299 |
|
High-pressure single-crystal X-ray diffraction and infrared spectroscopic |
|
studies of the C2/m-P2_1/m phase transition in cummingtonite |
|
Sample: P = 7.90 GPa |
|
_database_code_amcsd 0001976 |
|
9.2099 17.7605 5.1930 90 103.173 90 P2_1/m |
|
atom x y z occ Biso |
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Fe1 -.2510 .3359 .4736 .405 .59 |
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Mg1 -.2510 .3359 .4736 .595 .59 |
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Fe2 -.2516 .4249 .9756 .207 .64 |
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Mg2 -.2516 .4249 .9756 .789 .64 |
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Al2 -.2516 .4249 .9756 .004 .64 |
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Fe3 -.2489 .25 .9755 .393 .62 |
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Mg3 -.2489 .25 .9755 .607 .62 |
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Fe4 -.2602 .5107 .4657 .927 .67 |
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Mg4 -.2602 .5107 .4657 .035 .67 |
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Ca4 -.2602 .5107 .4657 .038 .67 |
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Si1A .0454 .3342 .2561 .54 |
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Si1B .5502 .8329 .3118 .68 |
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Si2A .0458 .4214 .7618 .59 |
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Si2B .5558 .9163 .8132 .61 |
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O1A -.1305 .3360 .1873 .82 |
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O1B .3724 .8361 .2344 .68 |
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O2A -.1283 .4210 .6968 .79 |
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O2B .3821 .9208 .7480 .81 |
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O3A -.1251 .25 .6896 .71 |
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O3B .3728 .75 .7367 .76 |
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O4A .1222 .5022 .7859 .53 |
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O4B .6322 .9932 .7545 .83 |
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O5A .1117 .3692 .0176 .96 |
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O5B .6100 .8930 .1259 .90 |
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O6A .1134 .3842 .5194 .75 |
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O6B .6093 .8527 .6215 .59 |
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O7A .1118 .25 .3141 .93 |
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O7B .6091 .75 .2542 .44 |
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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)
|
| |
