|
Suredaite |
| |
Paar W H, Miletich R, Topa D, Criddle A J, De Brodtkorb M K, Amthauer G, Tippelt G |
 |
American Mineralogist 85 (2000) 1066-1075 |
|
Suredaite, PbSnS3, a new mineral species, from the Pirquitas Ag-Sn deposit, |
|
NW-Argentina: Mineralogy and crystal structure |
|
_database_code_amcsd 0002474 |
|
8.8221 3.7728 14.0076 90 90 90 Pnma |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
PbA .5030 .75 .1705 .92 .0109 .0269 .0034 0 -.0001 0 |
|
SnA .5030 .75 .1705 .08 .0109 .0269 .0034 0 -.0001 0 |
|
SnB .1655 .25 .0521 .99 .0037 .0223 .0014 0 .0002 0 |
|
FeB .1655 .25 .0521 .01 .0037 .0223 .0014 0 .0002 0 |
|
S1 -.0114 .75 .1062 .0063 .017 .0015 0 -.0014 0 |
|
S2 .3394 .75 -.0066 .0012 .031 .0013 0 -.0006 0 |
|
S3 .2855 .25 .2132 .0075 .015 .0016 0 -.0020 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Brownmillerite |
 |
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: bx000_1 |
|
_database_code_amcsd 0003425 |
|
5.4268 14.7631 5.5969 90 90 90 Pnma |
|
atom x y z Uiso |
|
Ca .4808 .10798 .0227 .0073 |
|
FeM 0 0 0 .0049 |
|
FeT .9461 .25 .93403 .0046 |
|
O1 .2628 .9843 .2370 .0070 |
|
O2 .0240 .1406 .0735 .0087 |
|
O3 .5991 .25 .8741 .0074 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Brownmillerite |
|
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: bht005_2 |
|
_database_code_amcsd 0003426 |
|
5.4217 14.7432 5.5960 90 90 90 Pnma |
|
atom x y z occ Uiso |
|
Ca .48141 .10802 .02331 .0065 |
|
FeM 0 0 0 .966 .0033 |
|
AlM 0 0 0 .034 .0033 |
|
FeT .94628 .25 .93351 .920 .0026 |
|
AlT .94628 .25 .93351 .080 .0026 |
|
O1 .2622 .98432 .2375 .0062 |
|
O2 .0236 .14090 .0723 .0082 |
|
O3 .5992 .25 .8736 .0063 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Brownmillerite |
|
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: bht015_1 |
|
_database_code_amcsd 0003427 |
|
5.4140 14.7163 5.5947 90 90 90 Pnma |
|
atom x y z occ Uiso |
|
Ca .48243 .10813 .02388 .0068 |
|
FeM 0 0 0 .952 .0036 |
|
AlM 0 0 0 .048 .0036 |
|
FeT .94682 .25 .93280 .844 .0032 |
|
AlT .94682 .25 .93280 .156 .0032 |
|
O1 .2610 .98458 .2386 .0063 |
|
O2 .0232 .1416 .0719 .0087 |
|
O3 .6007 .25 .8720 .0070 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Brownmillerite |
|
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: bht025_2 |
|
_database_code_amcsd 0003428 |
|
5.4071 14.6949 5.5941 90 90 90 Pnma |
|
atom x y z occ Uiso |
|
Ca .4832 .10819 .02402 .0074 |
|
FeM 0 0 0 .964 .0050 |
|
AlM 0 0 0 .036 .0050 |
|
FeT .9472 .25 .9325 .760 .0031 |
|
AlT .9472 .25 .9325 .240 .0031 |
|
O1 .2604 .9847 .2394 .0062 |
|
O2 .0223 .1415 .0719 .0092 |
|
O3 .6026 .25 .8711 .0072 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Brownmillerite |
|
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 |
|
_database_code_amcsd 0003429 |
|
5.4027 14.6779 5.5923 90 90 90 Pnma |
|
atom x y z occ Uiso |
|
Ca .48378 .10821 .02456 .0089 |
|
FeM 0 0 0 .932 .0060 |
|
AlM 0 0 0 .068 .0060 |
|
FeT .94757 .25 .93200 .703 .0046 |
|
AlT .94757 .25 .93200 .297 .0046 |
|
O1 .2596 .9849 .2404 .0084 |
|
O2 .0227 .1419 .0719 .0109 |
|
O3 .6034 .25 .8698 .0099 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Brownmillerite |
|
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 |
|
_database_code_amcsd 0003430 |
|
5.3986 14.6631 5.5910 90 90 90 Pnma |
|
atom x y z occ Uiso |
|
Ca .48454 .10834 .02498 .0079 |
|
FeM 0 0 0 .906 .0048 |
|
AlM 0 0 0 .094 .0048 |
|
FeT .94803 .25 .93142 .686 .0041 |
|
AlT .94803 .25 .93142 .314 .0041 |
|
O1 .2589 .98498 .2412 .0077 |
|
O2 .0220 .14226 .0713 .0101 |
|
O3 .6045 .25 .8687 .0088 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Brownmillerite |
|
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 |
|
_database_code_amcsd 0003431 |
|
5.3936 14.6476 5.5899 90 90 90 Pnma |
|
atom x y z occ Uiso |
|
Ca .48477 .10835 .02493 .0077 |
|
FeM 0 0 0 .920 .0048 |
|
AlM 0 0 0 .080 .0048 |
|
FeT .94805 .25 .93132 .639 .0038 |
|
AlT .94805 .25 .93132 .361 .0038 |
|
O1 .2589 .98509 .2411 .0078 |
|
O2 .0215 .1422 .0713 .0101 |
|
O3 .6052 .25 .8686 .0087 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Brownmillerite |
|
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 |
|
_database_code_amcsd 0003432 |
|
5.3876 14.6302 5.5877 90 90 90 Pnma |
|
atom x y z occ Uiso |
|
Ca .48559 .10864 .02569 .0081 |
|
FeM 0 0 0 .880 .0048 |
|
AlM 0 0 0 .120 .0048 |
|
FeT .9490 .25 .9308 .660 .0049 |
|
AlT .9490 .25 .9308 .340 .0049 |
|
O1 .2579 .9852 .2423 .0080 |
|
O2 .0206 .1427 .0707 .0101 |
|
O3 .6056 .25 .8683 .0094 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Brownmillerite |
|
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: bht55_1 |
|
_database_code_amcsd 0003433 |
|
5.3808 14.6131 5.5911 90 90 90 I2mb |
|
atom x y z occ Uiso |
|
Ca .49099 .10817 .02643 .0064 |
|
FeM .00101 0 0 .862 .0032 |
|
AlM .00101 0 0 .138 .0032 |
|
FeT .9526 .25 .9299 .586 .0027 |
|
AlT .9526 .25 .9299 .414 .0027 |
|
O1 .2500 .9858 .2532 .0061 |
|
O2 .0247 .1427 .0699 .0089 |
|
O3 .6097 .25 .8685 .0074 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Brownmillerite |
|
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: bht50_2 |
|
_database_code_amcsd 0003434 |
|
5.3832 14.6214 5.5916 90 90 90 I2mb |
|
atom x y z occ Uiso |
|
Ca .4912 .10820 .02655 .0063 |
|
FeM .0011 0 0 .849 .0030 |
|
AlM .0011 0 0 .151 .0030 |
|
FeT .9523 .25 .9300 .561 .0023 |
|
AlT .9523 .25 .9300 .439 .0023 |
|
O1 .2494 .98593 .2531 .0060 |
|
O2 .0238 .1426 .0697 .0085 |
|
O3 .6102 .25 .8677 .0072 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Brownmillerite |
|
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: bht070_1 |
|
_database_code_amcsd 0003435 |
|
5.3714 14.5805 5.5847 90 90 90 I2mb |
|
atom x y z occ Uiso |
|
Ca .4911 .1083 .0265 .0066 |
|
FeM .0006 0 0 .851 .0032 |
|
AlM .0006 0 0 .149 .0032 |
|
FeT .9528 .25 .9296 .486 .0016 |
|
AlT .9528 .25 .9296 .514 .0016 |
|
O1 .2501 .9860 .2530 .0064 |
|
O2 .0240 .1429 .0697 .0097 |
|
O3 .6106 .25 .8652 .0084 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Brownmillerite |
|
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: bht120_6 |
|
_database_code_amcsd 0003436 |
|
5.3569 14.5407 5.5735 90 90 90 I2mb |
|
atom x y z occ Uiso |
|
Ca .49115 .10854 .02705 .0076 |
|
FeM .0006 0 0 .791 .0047 |
|
AlM .0006 0 0 .209 .0047 |
|
FeT .9528 .25 .92900 .420 .0043 |
|
AlT .9528 .25 .92900 .580 .0043 |
|
O1 .2494 .98611 .2530 .0074 |
|
O2 .0228 .14334 .0691 .0101 |
|
O3 .6135 .25 .8640 .0083 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Brownmillerite |
|
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: bht095_2 |
|
_database_code_amcsd 0003437 |
|
5.3510 14.5256 5.5685 90 90 90 I2mb |
|
atom x y z occ Uiso |
|
Ca .4913 .10859 .02718 .0062 |
|
FeM .0005 0 0 .783 .0037 |
|
AlM .0005 0 0 .217 .0037 |
|
FeT .9527 .25 .9283 .351 .0027 |
|
AlT .9527 .25 .9283 .649 .0027 |
|
O1 .2494 .9864 .2529 .0062 |
|
O2 .0216 .1433 .0686 .0088 |
|
O3 .6146 .25 .8633 .0070 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Brownmillerite |
|
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: bht100_2 |
|
_database_code_amcsd 0003438 |
|
5.3469 14.5149 5.5640 90 90 90 I2mb |
|
atom x y z occ Uiso |
|
Ca .49141 .10855 .02702 .0069 |
|
FeM .0006 0 0 .758 .0044 |
|
AlM .0006 0 0 .242 .0044 |
|
FeT .9524 .25 .9283 .333 .0036 |
|
AlT .9524 .25 .9283 .667 .0036 |
|
O1 .2484 .9865 .2528 .0068 |
|
O2 .0215 .1435 .0686 .0093 |
|
O3 .6151 .25 .8620 .0077 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Brownmillerite |
|
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: bht110n1 |
|
_database_code_amcsd 0003439 |
|
5.3369 14.4945 5.5548 90 90 90 I2mb |
|
atom x y z occ Uiso |
|
Ca .4914 .10852 .02709 .0064 |
|
FeM .0004 0 0 .733 .0036 |
|
AlM .0004 0 0 .267 .0036 |
|
FeT .9526 .25 .9278 .281 .0025 |
|
AlT .9526 .25 .9278 .719 .0025 |
|
O1 .2486 .9864 .2519 .0061 |
|
O2 .0203 .1440 .0674 .0095 |
|
O3 .6172 .25 .8608 .0063 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Brownmillerite |
|
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: bht120n2 |
|
_database_code_amcsd 0003440 |
|
5.3269 14.4687 5.5433 90 90 90 I2mb |
|
atom x y z occ Uiso |
|
Ca .4914 .10871 .0271 .0073 |
|
FeM .0004 0 0 .684 .0044 |
|
AlM .0004 0 0 .316 .0044 |
|
FeT .9526 .25 .9275 .238 .0030 |
|
AlT .9526 .25 .9275 .762 .0030 |
|
O1 .2481 .9868 .2535 .0072 |
|
O2 .0200 .1437 .0666 .0101 |
|
O3 .6168 .25 .8610 .0082 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Brownmillerite |
|
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: bht130_2 |
|
_database_code_amcsd 0003441 |
|
5.3093 14.4534 5.5230 90 90 90 I2mb |
|
atom x y z occ Uiso |
|
Ca .4917 .10850 .02695 .0074 |
|
FeM -.0003 0 0 .594 .0049 |
|
AlM -.0003 0 0 .406 .0049 |
|
FeT .9527 .25 .9270 .147 .0031 |
|
AlT .9527 .25 .9270 .853 .0031 |
|
O1 .2485 .9871 .2536 .0073 |
|
O2 .0196 .1438 .0662 .0110 |
|
O3 .6184 .25 .8586 .0070 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Brownmillerite |
|
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: bht140_2 |
|
_database_code_amcsd 0003442 |
|
5.2991 14.4434 5.5099 90 90 90 I2mb |
|
atom x y z occ Uiso |
|
Ca .4919 .10859 .0266 .0091 |
|
FeM -.0004 0 0 .541 .0071 |
|
AlM -.0004 0 0 .459 .0071 |
|
FeT .9527 .25 .9264 .113 .0054 |
|
AlT .9527 .25 .9264 .887 .0054 |
|
O1 .2481 .9875 .2522 .0090 |
|
O2 .0185 .1438 .0648 .0118 |
|
O3 .6183 .25 .8593 .0093 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hedenbergite |
|
Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W |
| |
American Mineralogist 91 (2006) 1271-1292 |
|
Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer |
|
spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution |
|
Locality: synthetic |
|
Sample: Hd21, T = 298 K |
|
_database_code_amcsd 0004193 |
|
9.8450 9.0293 5.2450 90 104.775 90 C2/c |
|
atom x y z Uiso |
|
Ca2 0 .3003 .25 .0072 |
|
Fe1 0 .9075 .25 .0046 |
|
Si .2878 .0924 .2325 .0036 |
|
O1 .1196 .0901 .1523 .0055 |
|
O2 .3628 .2464 .3232 .0075 |
|
O3 .3501 .0197 .9926 .0061 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hedenbergite |
|
Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W |
| |
American Mineralogist 91 (2006) 1271-1292 |
|
Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer |
|
spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution |
|
Locality: synthetic |
|
Sample: Hd21, T = 200 K |
|
_database_code_amcsd 0004194 |
|
9.8395 9.0177 5.2425 90 104.724 90 C2/c |
|
atom x y z Uiso |
|
Ca2 0 .3008 .25 .0054 |
|
Fe1 0 .9079 .25 .0035 |
|
Si .2878 .0927 .2322 .0028 |
|
O1 .1194 .0907 .1528 .0051 |
|
O2 .3629 .2465 .3237 .0062 |
|
O3 .3503 .0202 -.0078 .0051 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hedenbergite |
|
Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W |
| |
American Mineralogist 91 (2006) 1271-1292 |
|
Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer |
|
spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution |
|
Locality: synthetic |
|
Sample: Hd21, T = 100K |
|
_database_code_amcsd 0004195 |
|
9.8357 9.0078 5.2408 90 104.664 90 C2/c |
|
atom x y z Uiso |
|
Ca2 0 .3012 .25 .0036 |
|
Fe1 0 .9082 .25 .0025 |
|
Si .2879 .0928 .2321 .0022 |
|
O1 .1195 .0909 .1523 .0038 |
|
O2 .3631 .2467 .3241 .0047 |
|
O3 .3504 .0206 .9912 .0037 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hedenbergite |
|
Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W |
| |
American Mineralogist 91 (2006) 1271-1292 |
|
Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer |
|
spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution |
|
Locality: synthetic |
|
Sample: Ae051, T = 298 K |
|
_database_code_amcsd 0004196 |
|
9.8354 9.0108 5.2560 90 105.088 90 C2/c |
|
atom x y z occ Uiso |
|
Ca2 0 .3003 .25 .949 .0100 |
|
Na2 0 .3003 .25 .051 .0100 |
|
Fe2+1 0 .9069 .25 .949 .0067 |
|
Fe3+1 0 .9069 .25 .051 .0067 |
|
Si .2879 .0923 .2326 .0044 |
|
O1 .1189 .0893 .1502 .0077 |
|
O2 .3624 .2473 .3226 .0098 |
|
O3 .3502 .0190 .9946 .0082 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hedenbergite |
|
Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W |
| |
American Mineralogist 91 (2006) 1271-1292 |
|
Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer |
|
spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution |
|
Locality: synthetic |
|
Sample: Hd102m, T = 298 K |
|
_database_code_amcsd 0004197 |
|
9.8248 8.9973 5.2549 90 105.013 90 C2/c |
|
atom x y z occ Uiso |
|
Ca2 0 .3006 .25 .904 .0086 |
|
Na2 0 .3006 .25 .096 .0086 |
|
Fe2+1 0 .9064 .25 .904 .0054 |
|
Fe3+1 0 .9064 .25 .096 .0054 |
|
Si .2878 .0922 .2328 .0040 |
|
O1 .1189 .0888 .1503 .0076 |
|
O2 .3619 .2476 .3214 .0088 |
|
O3 .3505 .0183 .9954 .0075 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hedenbergite |
|
Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W |
| |
American Mineralogist 91 (2006) 1271-1292 |
|
Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer |
|
spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution |
|
Locality: synthetic |
|
Sample: Ae151, T = 298 K |
|
_database_code_amcsd 0004198 |
|
9.8067 8.9852 5.2886 90 105.356 90 C2/c |
|
atom x y z occ Uiso |
|
Ca2 0 .3016 .25 .850 .0101 |
|
Na2 0 .3016 .25 .150 .0101 |
|
Fe2+1 0 .9055 .25 .850 .0067 |
|
Fe3+1 0 .9055 .25 .150 .0067 |
|
Si .2880 .0923 .2323 .0039 |
|
O1 .1179 .0873 .1477 .0089 |
|
O2 .3614 .2493 .3201 .0107 |
|
O3 .3506 .0172 .9963 .0093 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hedenbergite |
|
Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W |
| |
American Mineralogist 91 (2006) 1271-1292 |
|
Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer |
|
spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution |
|
Locality: synthetic |
|
Sample: Ae201, T = 298 K |
|
_database_code_amcsd 0004199 |
|
9.7929 8.9656 5.2696 90 105.496 90 C2/c |
|
atom x y z occ Uiso |
|
Ca2 0 .3011 .25 .758 .0114 |
|
Na2 0 .3011 .25 .242 .0114 |
|
Fe2+1 0 .9049 .25 .758 .0073 |
|
Fe3+1 0 .9049 .25 .242 .0073 |
|
Si .2881 .0920 .2327 .0049 |
|
O1 .1172 .0865 .1476 .0105 |
|
O2 .3612 .2498 .3184 .0117 |
|
O3 .3508 .0167 .9987 .0099 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hedenbergite |
|
Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W |
| |
American Mineralogist 91 (2006) 1271-1292 |
|
Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer |
|
spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution |
|
Locality: synthetic |
|
Sample: Ae251, T = 298 K |
|
_database_code_amcsd 0004200 |
|
9.7938 8.9685 5.2632 90 105.520 90 C2/c |
|
atom x y z occ Uiso |
|
Ca2 0 .3013 .25 .742 .0093 |
|
Na2 0 .3013 .25 .258 .0093 |
|
Fe2+1 0 .9049 .25 .742 .0054 |
|
Fe3+1 0 .9049 .25 .258 .0054 |
|
Si .2881 .0918 .2328 .0031 |
|
O1 .1174 .0865 .1476 .0078 |
|
O2 .3608 .2496 .3177 .0090 |
|
O3 .3505 .0165 .9987 .0078 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hedenbergite |
|
Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W |
| |
American Mineralogist 91 (2006) 1271-1292 |
|
Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer |
|
spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution |
|
Locality: synthetic |
|
Sample: Ae401, T = 298 K |
|
_database_code_amcsd 0004201 |
|
9.7560 8.9252 5.2739 90 106.031 90 C2/c |
|
atom x y z occ Uiso |
|
Ca2 0 .3007 .25 .615 .0103 |
|
Na2 0 .3007 .25 .385 .0103 |
|
Fe2+1 0 .9037 .25 .615 .0056 |
|
Fe3+1 0 .9037 .25 .385 .0056 |
|
Si .2885 .0914 .2335 .0035 |
|
O1 .1166 .0845 .1459 .0081 |
|
O2 .3603 .2507 .3151 .0094 |
|
O3 .3510 .0153 .0012 .0074 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hedenbergite |
|
Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W |
| |
American Mineralogist 91 (2006) 1271-1292 |
|
Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer |
|
spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution |
|
Locality: synthetic |
|
Sample: Ae451, T = 298 K |
|
_database_code_amcsd 0004202 |
|
9.7428 8.9091 5.2750 90 106.126 90 C2/c |
|
atom x y z occ Uiso |
|
Ca2 0 .3013 .25 .55 .0106 |
|
Na2 0 .3013 .25 .45 .0106 |
|
Fe2+1 0 .9028 .25 .55 .0064 |
|
Fe3+1 0 .9028 .25 .45 .0064 |
|
Si .2887 .0915 .2335 .0040 |
|
O1 .1162 .0832 .1437 .0103 |
|
O2 .3594 .2513 .3112 .0102 |
|
O3 .3508 .0133 .0031 .0081 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hedenbergite |
|
Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W |
| |
American Mineralogist 91 (2006) 1271-1292 |
|
Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer |
|
spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution |
|
Locality: synthetic |
|
Sample: Ae503 |
|
_database_code_amcsd 0004203 |
|
9.7412 8.9086 5.2776 90 106.221 90 C2/c |
|
atom x y z occ Uiso |
|
Ca2 0 .3007 .25 .506 .0121 |
|
Na2 0 .3007 .25 .494 .0121 |
|
Fe2+1 0 .9025 .25 .506 .0061 |
|
Fe3+1 0 .9025 .25 .494 .0061 |
|
Si .2887 .0910 .2336 .0043 |
|
O1 .1163 .0829 .1444 .0088 |
|
O2 .3595 .2518 .3126 .0096 |
|
O3 .3511 .0138 .0036 .0086 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Aegirine |
|
Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W |
| |
American Mineralogist 91 (2006) 1271-1292 |
|
Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer |
|
spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution |
|
Locality: synthetic |
|
Sample: Ae504 |
|
_database_code_amcsd 0004204 |
|
9.7412 8.9086 5.2776 90 106.221 90 C2/c |
|
atom x y z occ Uiso |
|
Na2 0 .3010 .25 .512 .0088 |
|
Ca2 0 .3010 .25 .488 .0088 |
|
Fe3+1 0 .9024 .25 .512 .0039 |
|
Fe2+1 0 .9024 .25 .488 .0039 |
|
Si .2888 .0906 .2337 .0024 |
|
O1 .1163 .0832 .1439 .0069 |
|
O2 .3595 .2514 .3133 .0068 |
|
O3 .3511 .0137 .0024 .0059 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hedenbergite |
|
Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W |
| |
American Mineralogist 91 (2006) 1271-1292 |
|
Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer |
|
spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution |
|
Locality: synthetic |
|
Sample: Ae504, T = 200 K |
|
_database_code_amcsd 0004205 |
|
9.7361 8.9020 5.2733 90 106.099 90 C2/c |
|
atom x y z occ Uiso |
|
Ca2 0 .3011 .25 .503 .0074 |
|
Na2 0 .3011 .25 .497 .0074 |
|
Fe2+1 0 .9028 .25 .503 .0038 |
|
Fe3+1 0 .9028 .25 .497 .0038 |
|
Si .2888 .0911 .2338 .0024 |
|
O1 .1158 .0831 .1441 .0068 |
|
O2 .3597 .2522 .3133 .0072 |
|
O3 .3511 .0144 .0033 .0061 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hedenbergite |
|
Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W |
| |
American Mineralogist 91 (2006) 1271-1292 |
|
Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer |
|
spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution |
|
Locality: synthetic |
|
Sample: Ae504, T = 90 K |
|
_database_code_amcsd 0004206 |
|
9.7266 8.8959 5.2691 90 106.067 90 C2/c |
|
atom x y z occ Uiso |
|
Ca2 0 .3013 .25 .501 .0055 |
|
Na2 0 .3013 .25 .499 .0055 |
|
Fe2+1 0 .9031 .25 .501 .0030 |
|
Fe3+1 0 .9031 .25 .499 .0030 |
|
Si .2889 .0912 .2340 .0020 |
|
O1 .1158 .0836 .1445 .0058 |
|
O2 .3598 .2525 .3139 .0057 |
|
O3 .3512 .0147 .0026 .0045 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Aegirine |
|
Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W |
| |
American Mineralogist 91 (2006) 1271-1292 |
|
Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer |
|
spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution |
|
Locality: synthetic |
|
Sample: Ae551, T = 298 K |
|
_database_code_amcsd 0004207 |
|
10 9 5 90 106 90 C2/c |
|
atom x y z occ Uiso |
|
Na2 0 .3010 .25 .55 .0112 |
|
Ca2 0 .3010 .25 .45 .0112 |
|
Fe3+1 0 .9023 .25 .55 .0047 |
|
Fe2+1 0 .9023 .25 .45 .0047 |
|
Si .2891 .0912 .2343 .0027 |
|
O1 .1169 .0832 .1447 .0066 |
|
O2 .3577 .2535 .3096 .0083 |
|
O3 .3519 .0144 .0050 .0070 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Aegirine |
|
Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W |
| |
American Mineralogist 91 (2006) 1271-1292 |
|
Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer |
|
spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution |
|
Locality: synthetic |
|
Sample: Ae601, T = 298 K |
|
_database_code_amcsd 0004208 |
|
9.7176 8.8792 5.2828 90 106.530 90 C2/c |
|
atom x y z occ Uiso |
|
Na2 0 .3011 .25 .604 .0122 |
|
Ca2 0 .3011 .25 .396 .0122 |
|
Fe3+1 0 .9016 .25 .604 .0064 |
|
Fe2+1 0 .9016 .25 .396 .0064 |
|
Si .2892 .0908 .2335 .0042 |
|
O1 .1154 .0815 .1420 .0087 |
|
O2 .3592 .2531 .3093 .0107 |
|
O3 .3513 .0126 .0050 .0089 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Aegirine |
|
Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W |
| |
American Mineralogist 91 (2006) 1271-1292 |
|
Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer |
|
spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution |
|
Locality: synthetic |
|
Sample: Ae701, T = 298 K |
|
_database_code_amcsd 0004209 |
|
9.6993 8.8579 5.2813 90 106.637 90 C2/c |
|
atom x y z occ Uiso |
|
Na2 0 .3009 .25 .711 .0108 |
|
Ca2 0 .3009 .25 .289 .0108 |
|
Fe3+1 0 .9012 .25 .711 .0040 |
|
Fe2+1 0 .9012 .25 .289 .0040 |
|
Si .2894 .0904 .2340 .0029 |
|
O1 .1152 .0818 .1413 .0056 |
|
O2 .3586 .2532 .3078 .0076 |
|
O3 .3514 .0118 .0074 .0055 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Aegirine |
|
Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W |
| |
American Mineralogist 91 (2006) 1271-1292 |
|
Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer |
|
spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution |
|
Locality: synthetic |
|
Sample: Ae751, T = 298 K |
|
_database_code_amcsd 0004210 |
|
9.6953 8.8491 5.2856 90 106.778 90 C2/c |
|
atom x y z occ Uiso |
|
Na2 0 .3005 .25 .751 .0104 |
|
Ca2 0 .3005 .25 .249 .0104 |
|
Fe3+1 0 .9006 .25 .751 .0053 |
|
Fe2+1 0 .9006 .25 .249 .0053 |
|
Si .2897 .0905 .2336 .0018 |
|
O1 .1147 .0804 .1400 .0047 |
|
O2 .3590 .2544 .3063 .0072 |
|
O3 .3514 .0121 .0074 .0056 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Aegirine |
|
Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W |
| |
American Mineralogist 91 (2006) 1271-1292 |
|
Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer |
|
spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution |
|
Locality: synthetic |
|
Sample: Ae801 |
|
_database_code_amcsd 0004211 |
|
9.6804 8.8337 5.2831 90 106.877 90 C2/c |
|
atom x y z occ Uiso |
|
Na2 0 .3004 .25 .825 .0131 |
|
Ca2 0 .3004 .25 .175 .0131 |
|
Fe3+1 0 .9003 .25 .825 .0055 |
|
Fe2+1 0 .9003 .25 .175 .0055 |
|
Si .2899 .0904 .2343 .0039 |
|
O1 .1148 .0797 .1402 .0058 |
|
O2 .3587 .2544 .3050 .0086 |
|
O3 .3508 .0105 .0084 .0072 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Aegirine |
|
Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W |
| |
American Mineralogist 91 (2006) 1271-1292 |
|
Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer |
|
spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution |
|
Locality: synthetic |
|
Sample: Ae851 |
|
_database_code_amcsd 0004212 |
|
9.6654 8.8184 5.2805 90 106.976 90 C2/c |
|
atom x y z occ Uiso |
|
Na2 0 .3001 .25 .851 .0127 |
|
Ca2 0 .3001 .25 .149 .0127 |
|
Fe3+1 0 .8997 .25 .851 .0046 |
|
Fe2+1 0 .8997 .25 .149 .0046 |
|
Si .2900 .0899 .2346 .0036 |
|
O1 .1147 .0794 .1392 .0059 |
|
O2 .3587 .2548 .3038 .0090 |
|
O3 .3518 .0099 .0088 .0071 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Aegirine |
|
Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W |
| |
American Mineralogist 91 (2006) 1271-1292 |
|
Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer |
|
spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution |
|
Locality: synthetic |
|
Sample: Ae901, T = 298 K |
|
_database_code_amcsd 0004213 |
|
9.6666 8.8099 5.2916 90 107.195 90 C2/c |
|
atom x y z occ Uiso |
|
Na2 0 .3003 .25 .898 .0117 |
|
Ca2 0 .3003 .25 .102 .0117 |
|
Fe3+1 0 .8994 .25 .898 .0022 |
|
Fe2+1 0 .8994 .25 .102 .0022 |
|
Si .2903 .0895 .2346 .0013 |
|
O1 .1147 .0787 .1387 .0041 |
|
O2 .3584 .2555 .3015 .0053 |
|
O3 .3519 .0087 .0095 .0044 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Aegirine |
|
Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W |
| |
American Mineralogist 91 (2006) 1271-1292 |
|
Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer |
|
spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution |
|
Locality: synthetic |
|
Sample: Ae951, T = 298 K |
|
_database_code_amcsd 0004214 |
|
9.6554 8.7998 5.2900 90 107.304 90 C2/c |
|
atom x y z occ Uiso |
|
Na2 0 .2994 .25 .951 .0134 |
|
Ca2 0 .2994 .25 .049 .0134 |
|
Fe3+1 0 .8992 .25 .951 .0034 |
|
Fe2+1 0 .8992 .25 .049 .0034 |
|
Si .2905 .0896 .2352 .0027 |
|
O1 .1144 .0786 .1381 .0044 |
|
O2 .3586 .2555 .3019 .0077 |
|
O3 .3520 .0088 .0111 .0056 |
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Aegirine |
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Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W |
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American Mineralogist 91 (2006) 1271-1292 |
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Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer |
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spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution |
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Locality: synthetic |
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Sample: nahp22, T = 298 K |
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_database_code_amcsd 0004215 |
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9.6554 8.7952 5.2942 90 107.396 90 C2/c |
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atom x y z Uiso |
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Na2 0 .2988 .25 .0094 |
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Fe1 0 .8990 .25 .0025 |
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Si .2908 .0896 .2360 .0022 |
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O1 .1143 .0785 .1384 .0031 |
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O2 .3591 .2553 .3015 .0062 |
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O3 .3523 .0076 .0130 .0050 |
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Aegirine |
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Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W |
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American Mineralogist 91 (2006) 1271-1292 |
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Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer |
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spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution |
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Locality: synthetic |
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Sample: Nahp22a, T = 298 K |
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_database_code_amcsd 0004216 |
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9.6554 8.7952 5.2942 90 107.396 90 C2/c |
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atom x y z Uiso |
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Na2 0 .2989 .25 .0106 |
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Fe1 0 .8989 .25 .0046 |
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Si .2907 .0893 .2358 .0028 |
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O1 .1144 .0785 .1379 .0068 |
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O2 .3589 .2558 .3015 .0095 |
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O3 .3519 .0081 .0129 .0084 |
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Hagendorfite |
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Redhammer G J, Tippelt G, Bernroider M, Lottermoser W, Amthauer G, Roth G |
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European Journal of Mineralogy 17 (2005) 915-932 |
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Hagendorfite (Na,Ca)MnFe2(PO4)3 from type locality Hagendorf (Bavaria, Germany): |
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Crystal structure determination and 57Fe Mossbauer spectroscopy |
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Locality: Hagendorf, Bavaria, Germany |
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Note: alluaudite structure |
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Sample: T = 100K |
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_database_code_amcsd 0007137 |
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11.9492 12.5548 6.4966 90 114.816 90 C2/c |
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atom x y z occ Uiso |
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NaA1 .5 0 0 .83 .0481 |
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CaA1 .5 0 0 .17 .0481 |
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NaA2' 0 -.0192 .25 .0241 |
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MnM1 0 .2672 .25 .0104 |
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FeM2 .2790 .6580 .3650 .0094 |
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P1 0 -.2885 .25 .0103 |
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P2 .2344 -.1080 .1273 .0109 |
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O1 .4557 .7180 .5371 .0122 |
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O2 .0986 .6353 .2419 .0192 |
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O3 .3361 .6647 .1028 .0150 |
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O4 .1282 .4035 .3199 .0170 |
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O5 .2233 .8238 .3143 .0152 |
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O6 .3284 .5001 .3856 .0162 |
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Hagendorfite |
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Redhammer G J, Tippelt G, Bernroider M, Lottermoser W, Amthauer G, Roth G |
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European Journal of Mineralogy 17 (2005) 915-932 |
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Hagendorfite (Na,Ca)MnFe2(PO4)3 from type locality Hagendorf (Bavaria, Germany): |
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Crystal structure determination and 57Fe Mossbauer spectroscopy |
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Locality: Hagendorf, Bavaria, Germany |
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Note: alluaudite structure |
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Sample: T = 298K |
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_database_code_amcsd 0007138 |
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11.9721 12.5988 6.5029 90 114.841 90 C2/c |
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atom x y z occ Uiso |
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NaA1 .5 0 0 .83 .0520 |
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CaA1 .5 0 0 .17 .0520 |
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NaA2' 0 -.0192 .25 .0359 |
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MnM1 0 .2670 .25 .0149 |
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FeM2 .2788 .6577 .3645 .0125 |
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P1 0 -.2881 .25 .0128 |
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P2 .2348 -.1080 .1276 .0133 |
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O1 .4555 .7180 .5376 .0159 |
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O2 .0983 .6360 .2409 .0225 |
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O3 .3357 .6640 .1025 .0182 |
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O4 .1284 .4033 .3201 .0209 |
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O5 .2237 .8242 .3143 .0194 |
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O6 .3273 .5000 .3848 .0209 |
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Alluaudite |
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Redhammer G J, Tippelt G, Bernroider M, Lottermoser W, Amthauer G, Roth G |
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European Journal of Mineralogy 17 (2005) 915-932 |
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Hagendorfite (Na,Ca)MnFe2(PO4)3 from type locality Hagendorf (Bavaria, Germany): |
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Crystal structure determination and 57Fe Mossbauer spectroscopy |
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Locality: Buranga, Rwanda |
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Sample: T = 298K |
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_database_code_amcsd 0007139 |
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11.9941 12.5256 6.3973 90 114.257 90 C2/c |
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atom x y z occ Uiso |
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NaA1 .5 .0 0 .68 .0371 |
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CaA1 .5 .0 0 .32 .0371 |
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NaA2' 0 -.0136 .25 .16 .0387 |
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FeM1 0 .2598 .25 .0122 |
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FeM2 .2813 .6521 .3721 .74 .0093 |
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AlM2 .2813 .6521 .3721 .26 .0093 |
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P1 0 -.2852 .25 .0096 |
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P2 .2428 -.1086 .1319 .0097 |
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O1 .4531 .7150 .5330 .0125 |
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O2 .0993 .6397 .2412 .0163 |
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O3 .3275 .6640 .1024 .0133 |
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O4 .1211 .3980 .3131 .0163 |
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O5 .2259 .8221 .3185 .0134 |
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O6 .3105 .5023 .3745 .0170 |
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Barbosalite |
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Redhammer G J, Tippelt G, Roth G, Lottermoser W, Amthauer G |
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Physics and Chemistry of Minerals 27 (2000) 419-429 |
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Structure and Mossbauer spectroscopy of barbosalite Fe2+Fe3+2(PO4)2(OH)2 |
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between 80 K and 300 K |
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Sample: T = 298 K |
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_database_code_amcsd 0008412 |
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7.3294 7.4921 7.4148 90 118.43 90 P2_1/n |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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P .9973 .6147 .2440 .003 .002 .003 .003 .000 .002 .000 |
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Fe2+ 0 0 0 .006 .004 .006 .006 .000 .002 -.001 |
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Fe3+ .2757 .7318 .0069 .004 .003 .004 .004 -.001 .002 .000 |
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O1 .8046 .5037 .1093 .009 .005 .007 .012 -.001 .002 -.002 |
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O2 .9494 .7379 .3790 .010 .009 .013 .011 -.002 .009 -.005 |
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O3 .1794 .4880 .3749 .007 .004 .006 .010 .001 .001 .004 |
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O5 .0642 .7315 .1138 .008 .010 .007 .012 .003 .010 .003 |
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O6 .5231 .6349 .2604 .006 .005 .007 .004 .002 .002 -.001 |
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H .566 .568 .260 .022 |
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Barbosalite |
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Redhammer G J, Tippelt G, Roth G, Lottermoser W, Amthauer G |
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Physics and Chemistry of Minerals 27 (2000) 419-429 |
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Structure and Mossbauer spectroscopy of barbosalite Fe2+Fe3+2(PO4)2(OH)2 |
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between 80 K and 300 K |
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Sample: T = 110 K |
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_database_code_amcsd 0008413 |
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7.3065 7.5026 7.4105 90 118.49 90 P2_1/n |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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P .9958 .6136 .2430 .002 .002 .002 .002 .000 .000 .000 |
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Fe2+ 0 0 0 .003 .002 .003 .002 .000 .000 -.001 |
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Fe3+ .2752 .7327 .0076 .002 .002 .003 .001 .000 .000 .000 |
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O1 .8017 .5034 .1096 .004 .003 .004 .004 -.001 .000 -.002 |
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O2 .9517 .7351 .3816 .005 .004 .006 .004 -.001 .002 -.003 |
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O3 .1794 .4867 .3711 .004 .002 .005 .005 .001 .000 .002 |
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O5 .0609 .7304 .1112 .004 .006 .004 .004 .002 .003 .001 |
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O6 .5236 .6351 .2603 .003 .002 .004 .003 .001 .001 .000 |
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H .574 .567 .211 .03 |
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Chrysoberyl |
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Weber S U, Grodzicki M, Lottermoser W, Redhammer G J, Tippelt G, Ponahlo J, Amthauer G |
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Physics and Chemistry of Minerals 34 (2007) 507-515 |
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57Fe Mossbauer spectroscopy, X-ray single-crystal diffractometry, and |
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electronic structure calculations on natural alexandrite |
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Locality: Malyshevo near Terem Tschanka, Sverdlovsk, Ural, Russia |
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Note: changed O1(z) from .788822 to .78822 |
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_database_code_amcsd 0009096 |
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9.4082 5.4790 4.4288 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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Al1 0 0 0 .00349 .00388 .00286 .00346 -.00037 .00006 0 |
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Al2 .27282 .25 -.00503 .98 .00355 .00335 .00364 .00366 0 -.00008 0 |
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Cr2 .27282 .25 -.00503 .02 .00355 .00335 .00364 .00366 0 -.00008 0 |
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Be .09289 .25 .4336 .00530 .0063 .0054 .0042 0 .0000 0 |
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O1 .09022 .25 .78822 .00332 .00397 .00339 .00260 0 -.00010 0 |
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O2 .43316 .25 .24167 .00370 .00366 .00387 .00365 0 -.00041 0 |
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O3 .16324 .01554 .25728 .00401 .00425 .00392 .00387 .00030 -.00029 .00031 |
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Frondelite |
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Redhammer G J, Roth G, Tippelt G, Bernroider M, |
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Lottermoser W, Amthauer G, Hochleitner R |
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Acta Crystallographica C62 (2006) i24-i28 |
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Manganoan rockbridgeite Fe4.32Mn0.62Zn0.06(PO4)3(OH)5: |
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structure analysis and 57Fe Mossbauer spectroscopy |
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Locality: Hagendorf pegmatite, Bavaria, Germany |
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_database_code_amcsd 0017679 |
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5.1761 13.9774 16.8689 90 90 90 Cmcm |
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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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Fe1 0 0 0 .0113 .0125 .0104 .0110 .000 .000 -.0003 |
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Fe2 0 .06813 .15645 .66 .0165 .0240 .0134 .0122 .000 .000 -.0003 |
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Mn2 0 .06813 .15645 .31 .0165 .0240 .0134 .0122 .000 .000 -.0003 |
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Zn2 0 .06813 .15645 .03 .0165 .0240 .0134 .0122 .000 .000 -.0003 |
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Fe3 .2305 .32125 .13886 .50 .0093 .0109 .0092 .0077 .0020 -.0002 -.0009 |
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P1 .5 .14322 .04337 .0098 .0143 .0083 .0068 .000 .000 -.0008 |
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P2 0 .48232 .25 .0120 .0160 .0104 .0095 .000 .000 .000 |
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O1 .2438 .5456 .25 .0209 .026 .020 .017 -.009 .000 .000 |
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O2 .2572 .0811 .05719 .0143 .0134 .0141 .0154 -.0046 -.0011 -.0032 |
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Oh3 .3793 .3127 .2500 .50 .0140 .014 .018 .009 .004 .000 .000 |
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O4 .5 .1822 -.0401 .0229 .043 .016 .009 .000 .000 .0026 |
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OH5 0 .2175 .1760 .0215 .041 .013 .010 .000 .000 .0015 |
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Oh6 .5 .4233 .1045 .0136 .016 .009 .016 .000 .000 .0014 |
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O7 0 .4204 .1748 .0159 .022 .017 .0089 .000 .000 -.0020 |
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O8 .5 .2220 .1068 .0115 .014 .010 .011 .000 .000 -.0017 |
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H3 .5 .243 .2500 .05 |
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H6 .5 .4045 .0650 .07 |
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