|
Srebrodolskite |
 |
Redhammer G J, Tippelt G, Roth G, Amthauer G |
 |
American Mineralogist 89 (2004) 405-420 |
|
Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5: |
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Single-crystal X-ray diffraction at 25 deg C and high temperature |
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X-ray powder diffraction (25 C <= T <= 1000 C) |
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Sample: bx000_1 |
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Locality: synthetic |
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_database_code_amcsd 0003425 |
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5.4268 14.7631 5.5969 90 90 90 Pnma |
|
atom x y z Uiso |
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Ca .4808 .10798 .0227 .0073 |
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FeM 0 0 0 .0049 |
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FeT .9461 .25 .93403 .0046 |
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O1 .2628 .9843 .2370 .0070 |
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O2 .0240 .1406 .0735 .0087 |
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O3 .5991 .25 .8741 .0074 |
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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)
|
| |
|
Srebrodolskite |
|
Redhammer G J, Tippelt G, Roth G, Amthauer G |
|
American Mineralogist 89 (2004) 405-420 |
|
Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5: |
|
Single-crystal X-ray diffraction at 25 deg C and high temperature |
|
X-ray powder diffraction (25 C <= T <= 1000 C) |
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Sample: bht005_2 |
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Locality: synthetic |
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_database_code_amcsd 0003426 |
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5.4217 14.7432 5.5960 90 90 90 Pnma |
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atom x y z occ Uiso |
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Ca .48141 .10802 .02331 .0065 |
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FeM 0 0 0 .966 .0033 |
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AlM 0 0 0 .034 .0033 |
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FeT .94628 .25 .93351 .920 .0026 |
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AlT .94628 .25 .93351 .080 .0026 |
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O1 .2622 .98432 .2375 .0062 |
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O2 .0236 .14090 .0723 .0082 |
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O3 .5992 .25 .8736 .0063 |
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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 (permalink)
|
| |
|
Srebrodolskite |
|
Redhammer G J, Tippelt G, Roth G, Amthauer G |
|
American Mineralogist 89 (2004) 405-420 |
|
Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5: |
|
Single-crystal X-ray diffraction at 25 deg C and high temperature |
|
X-ray powder diffraction (25 C <= T <= 1000 C) |
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Sample: bht015_1 |
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Locality: synthetic |
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_database_code_amcsd 0003427 |
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5.4140 14.7163 5.5947 90 90 90 Pnma |
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atom x y z occ Uiso |
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Ca .48243 .10813 .02388 .0068 |
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FeM 0 0 0 .952 .0036 |
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AlM 0 0 0 .048 .0036 |
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FeT .94682 .25 .93280 .844 .0032 |
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AlT .94682 .25 .93280 .156 .0032 |
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O1 .2610 .98458 .2386 .0063 |
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O2 .0232 .1416 .0719 .0087 |
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O3 .6007 .25 .8720 .0070 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Srebrodolskite |
|
Redhammer G J, Tippelt G, Roth G, Amthauer G |
|
American Mineralogist 89 (2004) 405-420 |
|
Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5: |
|
Single-crystal X-ray diffraction at 25 deg C and high temperature |
|
X-ray powder diffraction (25 C <= T <= 1000 C) |
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Sample: bht025_2 |
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Locality: synthetic |
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_database_code_amcsd 0003428 |
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5.4071 14.6949 5.5941 90 90 90 Pnma |
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atom x y z occ Uiso |
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Ca .4832 .10819 .02402 .0074 |
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FeM 0 0 0 .964 .0050 |
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AlM 0 0 0 .036 .0050 |
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FeT .9472 .25 .9325 .760 .0031 |
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AlT .9472 .25 .9325 .240 .0031 |
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O1 .2604 .9847 .2394 .0062 |
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O2 .0223 .1415 .0719 .0092 |
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O3 .6026 .25 .8711 .0072 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Srebrodolskite |
|
Redhammer G J, Tippelt G, Roth G, Amthauer G |
|
American Mineralogist 89 (2004) 405-420 |
|
Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5: |
|
Single-crystal X-ray diffraction at 25 deg C and high temperature |
|
X-ray powder diffraction (25 C <= T <= 1000 C) |
|
Sample: bht030_3 |
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Locality: synthetic |
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_database_code_amcsd 0003429 |
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5.4027 14.6779 5.5923 90 90 90 Pnma |
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atom x y z occ Uiso |
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Ca .48378 .10821 .02456 .0089 |
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FeM 0 0 0 .932 .0060 |
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AlM 0 0 0 .068 .0060 |
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FeT .94757 .25 .93200 .703 .0046 |
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AlT .94757 .25 .93200 .297 .0046 |
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O1 .2596 .9849 .2404 .0084 |
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O2 .0227 .1419 .0719 .0109 |
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O3 .6034 .25 .8698 .0099 |
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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)
|
| |
|
Srebrodolskite |
|
Redhammer G J, Tippelt G, Roth G, Amthauer G |
|
American Mineralogist 89 (2004) 405-420 |
|
Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5: |
|
Single-crystal X-ray diffraction at 25 deg C and high temperature |
|
X-ray powder diffraction (25 C <= T <= 1000 C) |
|
Sample: bht035_1 |
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Locality: synthetic |
|
_database_code_amcsd 0003430 |
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5.3986 14.6631 5.5910 90 90 90 Pnma |
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atom x y z occ Uiso |
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Ca .48454 .10834 .02498 .0079 |
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FeM 0 0 0 .906 .0048 |
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AlM 0 0 0 .094 .0048 |
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FeT .94803 .25 .93142 .686 .0041 |
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AlT .94803 .25 .93142 .314 .0041 |
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O1 .2589 .98498 .2412 .0077 |
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O2 .0220 .14226 .0713 .0101 |
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O3 .6045 .25 .8687 .0088 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Srebrodolskite |
|
Redhammer G J, Tippelt G, Roth G, Amthauer G |
|
American Mineralogist 89 (2004) 405-420 |
|
Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5: |
|
Single-crystal X-ray diffraction at 25 deg C and high temperature |
|
X-ray powder diffraction (25 C <= T <= 1000 C) |
|
Sample: bht040_2 |
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Locality: synthetic |
|
_database_code_amcsd 0003431 |
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5.3936 14.6476 5.5899 90 90 90 Pnma |
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atom x y z occ Uiso |
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Ca .48477 .10835 .02493 .0077 |
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FeM 0 0 0 .920 .0048 |
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AlM 0 0 0 .080 .0048 |
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FeT .94805 .25 .93132 .639 .0038 |
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AlT .94805 .25 .93132 .361 .0038 |
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O1 .2589 .98509 .2411 .0078 |
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O2 .0215 .1422 .0713 .0101 |
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O3 .6052 .25 .8686 .0087 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Srebrodolskite |
|
Redhammer G J, Tippelt G, Roth G, Amthauer G |
|
American Mineralogist 89 (2004) 405-420 |
|
Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5: |
|
Single-crystal X-ray diffraction at 25 deg C and high temperature |
|
X-ray powder diffraction (25 C <= T <= 1000 C) |
|
Sample: bf80i_2 |
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Locality: synthetic |
|
_database_code_amcsd 0003432 |
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5.3876 14.6302 5.5877 90 90 90 Pnma |
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atom x y z occ Uiso |
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Ca .48559 .10864 .02569 .0081 |
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FeM 0 0 0 .880 .0048 |
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AlM 0 0 0 .120 .0048 |
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FeT .9490 .25 .9308 .660 .0049 |
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AlT .9490 .25 .9308 .340 .0049 |
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O1 .2579 .9852 .2423 .0080 |
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O2 .0206 .1427 .0707 .0101 |
|
O3 .6056 .25 .8683 .0094 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Srebrodolskite |
|
Kahlenberg V, Fischer R X |
| |
European Journal of Mineralogy 12 (2000) 129-135 |
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Crystal growth and cation distribution in doped dicalcium ferrite |
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Ca2(Fe1-xMex)2O5 (Me=Al,Ga) |
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Sample: Me = Al |
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_database_code_amcsd 0006826 |
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5.420 14.743 5.597 90 90 90 Pnma |
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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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Ca .5177 .3919 .9762 .0050 .0081 .0031 .0036 .0001 .0011 -.0010 |
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Fe 1/2 1/2 1/2 .0032 .0013 .0068 .0013 -.0005 .0001 .0002 |
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FeT .5532 1/4 .4328 .865 .0021 .0028 .0009 .0023 0 .0001 0 |
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AlT .5532 1/4 .4328 .135 .0021 .0028 .0009 .0023 0 .0001 0 |
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O1 .4768 .3588 .5720 .0066 .0105 .0044 .0047 .0000 -.0004 .0023 |
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O2 .3992 1/4 .1277 .0051 .0054 .0050 .0047 0 -.0031 0 |
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O3 .7386 .5156 .7612 .0044 .0038 .0068 .0024 .0020 -.0022 -.0006 |
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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)
|
| |
|
Srebrodolskite |
|
Kahlenberg V, Fischer R X |
| |
European Journal of Mineralogy 12 (2000) 129-135 |
|
Crystal growth and cation distribution in doped dicalcium ferrite |
|
Ca2(Fe1-xMex)2O5 (Me=Al,Ga) |
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Sample: Me = Ga |
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_database_code_amcsd 0006827 |
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5.420 14.721 5.599 90 90 90 Pnma |
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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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Ca .5180 .3919 .9756 .0057 .0086 .0036 .0047 .0000 .0011 -.0010 |
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Fe 1/2 1/2 1/2 .875 .0035 .0022 .0065 .0017 -.0003 .0001 .0004 |
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Ga 1/2 1/2 1/2 .125 .0035 .0022 .0065 .0017 -.0003 .0001 .0004 |
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FeT .5515 1/4 .4326 .570 .0027 .0037 .0012 .0027 0 0 0 |
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GaT .5515 1/4 .4326 .430 .0027 .0037 .0012 .0027 0 0 0 |
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O1 .4745 .3586 .5734 .0068 .0120 .0020 .0062 -.0010 .0004 .0020 |
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O2 .4003 1/4 .1260 .0049 .0044 .0051 .0062 0 -.0026 0 |
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O3 .7387 .5155 .7615 .0052 .0043 .0081 .0026 .0010 -.0028 -.0006 |
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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)
|
| |
|
Srebrodolskite |
|
Vanpeteghem C B, Angel R J, Zhao J, Ross N L, Redhammer G J, Seifert F |
| |
Physics and Chemistry of Minerals 35 (2008) 493-504 |
|
The effect of oxygen vacancies and aluminium substitution on the |
|
high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 |
|
Locality: synthetic |
|
Note: x = 0.0 |
|
Note: P = 0.0001 GPa |
|
_database_code_amcsd 0017759 |
|
5.4271 14.7619 5.5978 90 90 90 Pnma |
|
atom x y z Biso |
|
Ca .4810 .1081 .0226 0.73 |
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FeM 0 0 0 .36 |
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FeT .9451 .250 .9335 .44 |
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O1 .2633 .9821 .2368 .47 |
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O2 .0227 .1406 .0731 .88 |
|
O3 .6001 .250 .8737 .53 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Srebrodolskite |
|
Vanpeteghem C B, Angel R J, Zhao J, Ross N L, Redhammer G J, Seifert F |
| |
Physics and Chemistry of Minerals 35 (2008) 493-504 |
|
The effect of oxygen vacancies and aluminium substitution on the |
|
high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 |
|
Locality: synthetic |
|
Note: x = 0.0 |
|
Note: P = 2.249 GPa |
|
_database_code_amcsd 0017760 |
|
5.3956 14.6756 5.5703 90 90 90 Pnma |
|
atom x y z Biso |
|
Ca .4803 .1082 .0224 .65 |
|
FeM 0 0 0 .35 |
|
FeT .9457 .250 .9347 .41 |
|
O1 .2629 .9830 .2371 .42 |
|
O2 .0255 .1394 .0741 .89 |
|
O3 .5976 .250 .8737 .42 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Srebrodolskite |
|
Vanpeteghem C B, Angel R J, Zhao J, Ross N L, Redhammer G J, Seifert F |
| |
Physics and Chemistry of Minerals 35 (2008) 493-504 |
|
The effect of oxygen vacancies and aluminium substitution on the |
|
high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 |
|
Locality: synthetic |
|
Note: x = 0.0 |
|
Note: P = 3.863 GPa |
|
_database_code_amcsd 0017761 |
|
5.3744 14.6175 5.5526 90 90 90 Pnma |
|
atom x y z Biso |
|
Ca .4808 .1080 .0223 .66 |
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FeM 0 0 0 .36 |
|
FeT .9459 .250 .9349 .44 |
|
O1 .2621 .9850 .2372 .49 |
|
O2 .0250 .1397 .0734 .89 |
|
O3 .5955 .250 .8746 .66 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Srebrodolskite |
|
Vanpeteghem C B, Angel R J, Zhao J, Ross N L, Redhammer G J, Seifert F |
| |
Physics and Chemistry of Minerals 35 (2008) 493-504 |
|
The effect of oxygen vacancies and aluminium substitution on the |
|
high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 |
|
Locality: synthetic |
|
Note: x = 0.0 |
|
Note: P = 5.564 GPa |
|
_database_code_amcsd 0017762 |
|
5.3522 14.5621 5.5354 90 90 90 Pnma |
|
atom x y z Biso |
|
Ca .4802 .1080 .0218 .51 |
|
FeM 0 0 0 .19 |
|
FeT .9446 .250 .9344 .29 |
|
O1 .2627 .9827 .2371 .31 |
|
O2 .0270 .1404 .073 .62 |
|
O3 .596 .250 .873 .4 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Srebrodolskite |
|
Vanpeteghem C B, Angel R J, Zhao J, Ross N L, Redhammer G J, Seifert F |
| |
Physics and Chemistry of Minerals 35 (2008) 493-504 |
|
The effect of oxygen vacancies and aluminium substitution on the |
|
high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 |
|
Locality: synthetic |
|
Note: x = 0.0 |
|
Note: P = 6.326 GPa |
|
_database_code_amcsd 0017763 |
|
5.3422 14.5385 5.5277 90 90 90 Pnma |
|
atom x y z Biso |
|
Ca .4802 .1083 .0216 .65 |
|
FeM 0 0 0 .35 |
|
FeT .9454 .250 .9351 .46 |
|
O1 .2624 .9829 .2377 .43 |
|
O2 .0273 .1409 .0773 .92 |
|
O3 .5923 .250 .8759 .62 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Srebrodolskite |
|
Vanpeteghem C B, Angel R J, Zhao J, Ross N L, Redhammer G J, Seifert F |
| |
Physics and Chemistry of Minerals 35 (2008) 493-504 |
|
The effect of oxygen vacancies and aluminium substitution on the |
|
high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 |
|
Locality: synthetic |
|
Note: x = 0.0 |
|
Note: P = 8.167 GPa |
|
_database_code_amcsd 0017764 |
|
5.3246 14.4819 5.5110 90 90 90 Pnma |
|
atom x y z Biso |
|
Ca .4802 .1088 .0217 .60 |
|
FeM 0 0 0 .28 |
|
FeT .9455 .250 .9353 .42 |
|
O1 .2617 .9836 .2380 .36 |
|
O2 .0266 .1414 .0761 .72 |
|
O3 .5916 .250 .8756 .61 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Srebrodolskite |
|
Vanpeteghem C B, Angel R J, Zhao J, Ross N L, Redhammer G J, Seifert F |
| |
Physics and Chemistry of Minerals 35 (2008) 493-504 |
|
The effect of oxygen vacancies and aluminium substitution on the |
|
high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 |
|
Locality: synthetic |
|
Note: x = 0.0 |
|
Note: P = 9.73 GPa |
|
_database_code_amcsd 0017765 |
|
5.3035 14.4389 5.4979 90 90 90 Pnma |
|
atom x y z Biso |
|
Ca .4804 .1089 .0219 .65 |
|
FeM 0 0 0 .37 |
|
FeT .9449 .250 .9352 .45 |
|
O1 .2622 .9825 .2376 .59 |
|
O2 .0276 .1417 .0756 .90 |
|
O3 .5945 .250 .8756 .52 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Srebrodolskite |
|
Vanpeteghem C B, Angel R J, Zhao J, Ross N L, Redhammer G J, Seifert F |
| |
Physics and Chemistry of Minerals 35 (2008) 493-504 |
|
The effect of oxygen vacancies and aluminium substitution on the |
|
high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 |
|
Locality: synthetic |
|
Note: x = 0.37 |
|
Note: P = 0.0001 GPa |
|
_database_code_amcsd 0017766 |
|
5.4042 14.6835 5.5947 90 90 90 Pnma |
|
atom x y z occ Biso |
|
Ca .4840 .10830 .0248 .65 |
|
FeM 0 0 0 .93 .45 |
|
AlM 0 0 0 .07 .45 |
|
FeT .9472 .250 .9318 .70 .34 |
|
AlT .9472 .250 .9318 .30 .34 |
|
O1 .260 .9854 .2402 .70 |
|
O2 .023 .1417 .0711 .79 |
|
O3 .602 .250 .8705 .41 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Srebrodolskite |
|
Vanpeteghem C B, Angel R J, Zhao J, Ross N L, Redhammer G J, Seifert F |
| |
Physics and Chemistry of Minerals 35 (2008) 493-504 |
|
The effect of oxygen vacancies and aluminium substitution on the |
|
high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 |
|
Locality: synthetic |
|
Note: x = 0.37 |
|
Note: P = 2.015 GPa |
|
_database_code_amcsd 0017767 |
|
5.3769 14.6032 5.5712 90 90 90 Pnma |
|
atom x y z occ Biso |
|
Ca .4838 .10830 .0240 .63 |
|
FeM 0 0 0 .93 .45 |
|
AlM 0 0 0 .07 .45 |
|
FeT .9468 .250 .9325 .70 .32 |
|
AlT .9468 .250 .9325 .30 .32 |
|
O1 .259 .9844 .2404 .57 |
|
O2 .024 .1419 .0735 .85 |
|
O3 .602 .250 .8691 .41 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Srebrodolskite |
|
Vanpeteghem C B, Angel R J, Zhao J, Ross N L, Redhammer G J, Seifert F |
| |
Physics and Chemistry of Minerals 35 (2008) 493-504 |
|
The effect of oxygen vacancies and aluminium substitution on the |
|
high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 |
|
Locality: synthetic |
|
Note: x = 0.37 |
|
Note: P = 3.729 GPa |
|
_database_code_amcsd 0017768 |
|
5.3549 14.5410 5.5524 90 90 90 Pnma |
|
atom x y z occ Biso |
|
Ca .4920 .10822 .0239 .96 |
|
FeM 0 0 0 .93 .72 |
|
AlM 0 0 0 .07 .72 |
|
FeT .9491 .250 .9332 .70 .69 |
|
AlT .9491 .250 .9332 .30 .69 |
|
O1 .264 .9840 .2404 .91 |
|
O2 .026 .1426 .075 1.05 |
|
O3 .598 .250 .877 1.0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Srebrodolskite |
|
Vanpeteghem C B, Angel R J, Zhao J, Ross N L, Redhammer G J, Seifert F |
| |
Physics and Chemistry of Minerals 35 (2008) 493-504 |
|
The effect of oxygen vacancies and aluminium substitution on the |
|
high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 |
|
Locality: synthetic |
|
Note: x = 0.37 |
|
Note: P = 6.267 GPa |
|
_database_code_amcsd 0017769 |
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5.3246 14.4558 5.5273 90 90 90 Pnma |
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atom x y z occ Biso |
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Ca .4832 .10832 .0238 .64 |
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FeM 0 0 0 .93 .47 |
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AlM 0 0 0 .07 .47 |
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FeT .9470 .250 .9334 .70 .36 |
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AlT .9470 .250 .9334 .30 .36 |
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O1 .264 .9837 .2384 .63 |
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O2 .0274 .1417 .0729 .64 |
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O3 .606 .250 .871 .55 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
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Srebrodolskite |
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Vanpeteghem C B, Angel R J, Zhao J, Ross N L, Redhammer G J, Seifert F |
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Physics and Chemistry of Minerals 35 (2008) 493-504 |
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The effect of oxygen vacancies and aluminium substitution on the |
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high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 |
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Locality: synthetic |
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Note: x = 0.37 |
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Note: P = 8.89 GPa |
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_database_code_amcsd 0017770 |
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5.2953 14.3759 5.5037 90 90 90 Pnma |
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atom x y z occ Biso |
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Ca .4824 .10837 .0233 .54 |
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FeM 0 0 0 .93 .37 |
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AlM 0 0 0 .07 .37 |
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FeT .9459 .250 .9338 .70 .30 |
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AlT .9459 .250 .9338 .30 .30 |
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O1 .259 .9826 .2394 .51 |
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O2 .026 .1420 .0763 .73 |
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O3 .608 .250 .870 .5 |
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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 (permalink)
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Srebrodolskite |
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Bertaut E, Blum P, Sagnieres A |
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Acta Crystallographica 12 (1959) 149-159 |
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Structure du Ferrite Bicalcique et de la Brownmillerite |
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_cod_database_code 1008124 |
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_database_code_amcsd 0016066 |
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5.58 14.5 5.34 90 90 90 Pcmn |
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atom x y z occ |
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Ca .028 .112 .48 |
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Fe1 0 0 0 .5 |
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Al1 0 0 0 .5 |
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Fe2 -.072 .25 -.055 .5 |
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Al2 -.072 .25 -.055 .5 |
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O1 .25 -.015 .25 |
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O2 .055 .133 0 |
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O3 -.137 .25 .607 |
|
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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)
|
| |
|
Srebrodolskite |
|
Bertaut E, Blum P, Sagnieres A |
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Acta Crystallographica 12 (1959) 149-159 |
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Structure du ferrite bicalcique et de la brownmillerite |
|
_cod_database_code 1009033 |
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_database_code_amcsd 0016894 |
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5.64 14.68 5.39 90 90 90 Pcmn |
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atom x y z |
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Ca .028 .112 .48 |
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Fe1 0 0 0 |
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Fe2 -.072 .25 -.055 |
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O1 .25 -.015 .25 |
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O2 .055 .133 0 |
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O3 -.137 .25 .607 |
|
|
| 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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Srebrodolskite |
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Berggren J |
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Acta Chemica Scandinavica 25 (1971) 3616-3624 |
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Refinement of the crystal structure of dicalcium ferrite, Ca2Fe2O5 |
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_database_code_amcsd 0011930 |
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5.4253 14.7687 5.5980 90 90 90 Pnma |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ca .4817 .1080 .0231 .0089 .0011 .0066 -.00025 .00135 .00005 |
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Fe1 0 0 0 .0044 .0014 .0045 .00005 -.0001 .00010 |
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Fe2 -.0541 .25 -.0659 .0053 .001 .0055 0 -.00005 0 |
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O1 .2623 -.0154 .2377 .0089 .0018 .0053 -.00005 -.0020 .0003 |
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O2 .0224 .1406 .0715 .0120 .0013 .0086 .00025 .00005 .00030 |
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O3 .5981 .25 -.1243 .0074 .0016 .0071 0 -.0007 0 |
|
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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 (permalink)
|
| |
|
Srebrodolskite |
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Bertaut F, Blum P, Sagnieres A |
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Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 244 (1957) 2944-2946 |
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La structure du ferrite dicalcique et de la Brownmillerite. |
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_cod_database_code 1008777 |
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_database_code_amcsd 0016653 |
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5.64 14.68 5.39 90 90 90 Pcmn |
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atom x y z |
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Ca .028 .112 .48 |
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Fe1 0 0 0 |
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Fe2 -.072 .25 -.055 |
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O1 .25 -.015 .25 |
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O2 .055 .133 0 |
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O3 -.143 .25 .63 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Srebrodolskite |
|
Bertaut F, Blum P, Sagnieres A |
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Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 246 (1958) 658-658 |
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La structure du ferrite dicalcique et de la brownmillerite, aussi bien |
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que 'Errata'. |
|
_cod_database_code 1008778 |
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_database_code_amcsd 0016654 |
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5.64 14.68 5.39 90 90 90 Pcmn |
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atom x y z |
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Ca .028 .112 .48 |
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Fe1 0 0 0 |
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Fe2 -.072 .25 -.055 |
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O1 .25 -.015 .25 |
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O2 .055 .133 0 |
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O3 -.143 .25 .63 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
