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Alluaudite |
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Moore P B |
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American Mineralogist 56 (1971) 1955-1975 |
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Crystal chemistry of the alluaudite structure type: Contribution to the |
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paragenesis of pegmatite phosphate giant crystals |
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_database_code_amcsd 0000266 |
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12.004 12.533 6.404 90 114.4 90 C2/c |
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atom x y z occ Biso |
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Na1x .5 0 0 .625 1.59 |
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Mn1x .5 0 0 .175 1.59 |
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Ca1x .5 0 0 .125 1.59 |
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Mn1m 0 .2599 .25 .950 .60 |
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Mg1m 0 .2599 .25 .025 .60 |
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Li1m 0 .2599 .25 .025 .60 |
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Fe2m .2812 .6525 .3713 .988 .50 |
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Mg2m .2812 .6525 .3713 .012 .50 |
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P1 0 -.2855 .25 .59 |
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P2 .2424 -.1089 .1325 .69 |
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O1 .4533 .7152 .5342 .75 |
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O2 .0988 .6375 .2401 1.22 |
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O3 .3272 .6633 .1020 1.02 |
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O4 .1213 .3974 .3119 1.41 |
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O5 .2251 .8220 .3172 .92 |
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O6 .3102 .5021 .3735 1.34 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Alluaudite |
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Hatert F, Hermann R P, Long G J, Fransolet A M, Grandjean F |
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American Mineralogist 88 (2003) 211-222 |
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An X-ray Rietveld, infrared, and Mossbauer spectral study of the |
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NaMn(Fe1-xInx)2(PO4)3 alluaudite-type solid solution |
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Sample: x = 0.25, NaMnFe1.5In0.5(PO4)3 |
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_database_code_amcsd 0002971 |
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12.064 12.641 6.428 90 114.63 90 C2/c |
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atom x y z occ Biso |
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NaA2' 0 -.03 .25 .033 1.0 |
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NaA1 1/2 0 0 .500 3.3 |
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MnM1 0 .2650 .25 .426 .6 |
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InM1 0 .2650 .25 .074 .6 |
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FeM2 .2831 .6520 .3717 .75 .8 |
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InM2 .2831 .6520 .3717 .218 .8 |
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MnM2 .2831 .6520 .3717 .032 .8 |
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P1 0 -.2825 .25 .5 .6 |
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P2 .2375 -.1086 .1331 .6 |
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O1 .4589 .7284 .529 .4 |
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O2 .0969 .6358 .234 .4 |
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O3 .3242 .6609 .106 .4 |
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O4 .1329 .3955 .327 .4 |
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O5 .2239 .8283 .315 .4 |
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O6 .3110 .5012 .371 .4 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
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Alluaudite |
|
Hatert F, Hermann R P, Long G J, Fransolet A M, Grandjean F |
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American Mineralogist 88 (2003) 211-222 |
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An X-ray Rietveld, infrared, and Mossbauer spectral study of the |
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NaMn(Fe1-xInx)2(PO4)3 alluaudite-type solid solution |
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Sample: x = 0.50, NaMnFeIn(PO4)3 |
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_database_code_amcsd 0002972 |
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12.131 12.746 6.470 90 114.84 90 C2/c |
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atom x y z occ Biso |
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NaA2' 0 -.011 .25 .059 1.0 |
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NaA1 1/2 0 0 .490 3.3 |
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MnM1 0 .2631 .25 .390 .8 |
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InM1 0 .2631 .25 .110 .8 |
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FeM2 .2831 .6504 .3731 .5 .33 |
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InM2 .2831 .6504 .3731 .413 .33 |
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MnM2 .2831 .6504 .3731 .087 .33 |
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P1 0 -.2886 .25 .5 .3 |
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P2 .2407 -.1099 .1306 .3 |
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O1 .4549 .7199 .534 .2 |
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O2 .0977 .6355 .242 .2 |
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O3 .3304 .6625 .104 .2 |
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O4 .1278 .3942 .324 .2 |
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O5 .2234 .8212 .312 .2 |
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O6 .3122 .4970 .370 .2 |
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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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Alluaudite |
|
Hatert F, Hermann R P, Long G J, Fransolet A M, Grandjean F |
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American Mineralogist 88 (2003) 211-222 |
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An X-ray Rietveld, infrared, and Mossbauer spectral study of the |
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NaMn(Fe1-xInx)2(PO4)3 alluaudite-type solid solution |
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Sample: x = 0.75, NaMnFe.5In1.5(PO4)3 |
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_database_code_amcsd 0002973 |
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12.222 12.845 6.507 90 115.11 90 C2/c |
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atom x y z occ Biso |
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NaA2' 0 .008 .25 .052 1.0 |
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NaA1 1/2 0 0 .498 3.7 |
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MnM1 0 .2635 .25 .377 1.0 |
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InM1 0 .2635 .25 .123 1.0 |
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FeM2 .2844 .6497 .3740 .25 .52 |
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InM2 .2844 .6497 .3740 .64 .52 |
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MnM2 .2844 .6497 .3740 .11 .52 |
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P1 0 -.2898 .25 .5 .2 |
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P2 .2407 -.1116 .1329 .2 |
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O1 .4560 .7198 .536 .1 |
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O2 .0972 .6335 .242 .1 |
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O3 .3325 .6625 .105 .1 |
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O4 .1291 .3934 .328 .1 |
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O5 .2252 .8198 .311 .1 |
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O6 .3130 .4937 .369 .1 |
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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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Alluaudite |
|
Hatert F, Hermann R P, Long G J, Fransolet A M, Grandjean F |
|
American Mineralogist 88 (2003) 211-222 |
|
An X-ray Rietveld, infrared, and Mossbauer spectral study of the |
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NaMn(Fe1-xInx)2(PO4)3 alluaudite-type solid solution |
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Sample: x = 0.75, NaMnFe.5In1.5(PO4)3 |
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_database_code_amcsd 0002974 |
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12.222 12.845 6.507 90 115.11 90 C2/c |
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atom x y z occ Biso |
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NaA2' 0 .008 .25 .052 1.0 |
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NaA1 1/2 0 0 .498 3.7 |
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MnM1 0 .2635 .25 .377 1.0 |
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InM1 0 .2635 .25 .123 1.0 |
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FeM2 .2844 .6497 .3740 .25 .52 |
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InM2 .2844 .6497 .3740 .64 .52 |
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MnM2 .2844 .6497 .3740 .11 .52 |
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P1 0 -.2898 .25 .5 .2 |
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P2 .2407 -.1116 .1329 .2 |
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O1 .4560 .7198 .536 .1 |
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O2 .0972 .6335 .242 .1 |
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O3 .3325 .6625 .105 .1 |
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O4 .1291 .3934 .328 .1 |
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O5 .2252 .8198 .311 .1 |
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O6 .3130 .4937 .369 .1 |
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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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Alluaudite |
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Hatert F, Rebbouh L, Hermann R P, Fransolet A M, Long G J, Grandjean F |
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American Mineralogist 90 (2005) 653-662 |
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Crystal chemistry of the hydrothermally synthesized |
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Na2(Mn1-xFe2+x)2Fe3+(PO4)3 alluaudite-type solid solution |
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Sample: Na2Mn2Fe3+(PO4)3 (x = 0.00) |
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_database_code_amcsd 0003754 |
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12.024 12.629 6.515 90 114.58 90 C2/c |
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atom x y z occ Biso |
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NaA2' 0 -.021 .25 .922 2.4 |
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NaA1 .5 0 0 .82 1.2 |
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MnA1 .5 0 0 .18 1.2 |
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MnM1 0 .2693 .25 .88 2.4 |
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NaM1 0 .2693 .25 .12 2.4 |
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MnM2 .2779 .6559 .359 .48 .5 |
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Fe3+M2 .2779 .6559 .359 .50 .5 |
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P1 0 -.287 .25 2.1 |
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P2 .2344 -.1056 .134 2.1 |
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O1 .463 .710 .553 .9 |
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O2 .089 .6318 .247 .9 |
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O3 .334 .671 .114 .9 |
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O4 .137 .398 .340 .9 |
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O5 .232 .823 .319 .9 |
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O6 .327 .503 .393 .9 |
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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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Alluaudite |
|
Hatert F, Rebbouh L, Hermann R P, Fransolet A M, Long G J, Grandjean F |
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American Mineralogist 90 (2005) 653-662 |
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Crystal chemistry of the hydrothermally synthesized |
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Na2(Mn1-xFe2+x)2Fe3+(PO4)3 alluaudite-type solid solution |
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Sample: Na2Mn1.5Fe2+0.5Fe3+(PO4)3 (x = 0.25) |
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_database_code_amcsd 0003755 |
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11.995 12.596 6.495 90 114.60 90 C2/c |
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atom x y z occ Biso |
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NaA2' 0 -.013 .25 .678 1.0 |
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NaA1 .5 0 0 .822 1.8 |
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MnA1 .5 0 0 .178 1.8 |
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MnM1 0 .2676 .25 .94 1.0 |
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NaM1 0 .2676 .25 .06 1.0 |
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MnM2 .2779 .6557 .3623 .21 .6 |
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FeM2 .2779 .6557 .3623 .75 .6 |
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P1 0 -.2822 .25 .9 |
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P2 .2343 -.1074 .130 .9 |
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O1 .4593 .7109 .535 .5 |
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O2 .1043 .6383 .249 .5 |
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O3 .3360 .6702 .115 .5 |
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O4 .1293 .3980 .332 .5 |
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O5 .2279 .8257 .318 .5 |
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O6 .3262 .5017 .388 .5 |
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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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Alluaudite |
|
Hatert F, Rebbouh L, Hermann R P, Fransolet A M, Long G J, Grandjean F |
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American Mineralogist 90 (2005) 653-662 |
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Crystal chemistry of the hydrothermally synthesized |
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Na2(Mn1-xFe2+x)2Fe3+(PO4)3 alluaudite-type solid solution |
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Sample: Na2MnFe2+Fe3+(PO4)3 (x = 0.50) |
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_database_code_amcsd 0003756 |
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11.944 12.560 6.480 90 114.52 90 C2/c |
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atom x y z occ Biso |
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NaA2' 0 -.0113 .25 .760 1.2 |
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NaA1 .5 0 0 .978 1.6 |
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MnM1 0 .2690 .25 1.0 |
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FeM2 .2795 .6573 .3641 .982 1.0 |
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P1 0 -.2846 .25 1.0 |
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P2 .2370 -.1106 .1238 1.0 |
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O1 .4584 .7139 .538 1.1 |
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O2 .1027 .6433 .239 1.1 |
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O3 .3365 .6703 .110 1.1 |
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O4 .1270 .3992 .328 1.1 |
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O5 .2283 .8256 .326 1.1 |
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O6 .3235 .4947 .384 1.1 |
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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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Alluaudite |
|
Hatert F, Rebbouh L, Hermann R P, Fransolet A M, Long G J, Grandjean F |
|
American Mineralogist 90 (2005) 653-662 |
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Crystal chemistry of the hydrothermally synthesized |
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Na2(Mn1-xFe2+x)2Fe3+(PO4)3 alluaudite-type solid solution |
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Sample: Na2Mn0.5Fe2+1.5Fe3+(PO4)3 (x = 0.75) |
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_database_code_amcsd 0003757 |
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11.894 12.536 6.471 90 114.49 90 C2/c |
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atom x y z occ Biso |
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NaA2' 0 -.0110 .25 .762 1.9 |
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NaA1 .5 0 0 2.2 |
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MnM1 0 .2687 .25 .442 .3 |
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FeM1 0 .2687 .25 .5 .3 |
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FeM2 .2803 .6576 .3655 .990 .89 |
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P1 0 -.2845 .25 1.0 |
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P2 .2375 -.1096 .1243 1.0 |
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O1 .4575 .7129 .536 1.2 |
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O2 .1034 .6419 .242 1.2 |
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O3 .3347 .6671 .109 1.2 |
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O4 .1278 .4012 .329 1.2 |
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O5 .2270 .8261 .323 1.2 |
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O6 .3215 .4996 .3829 1.2 |
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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) |
| |
|
Alluaudite |
|
Hatert F, Rebbouh L, Hermann R P, Fransolet A M, Long G J, Grandjean F |
|
American Mineralogist 90 (2005) 653-662 |
|
Crystal chemistry of the hydrothermally synthesized |
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Na2(Mn1-xFe2+x)2Fe3+(PO4)3 alluaudite-type solid solution |
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Sample: Na2Fe2+2Fe3+(PO4)3 (x = 1.00) |
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_database_code_amcsd 0003758 |
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11.849 12.539 6.486 90 114.51 90 C2/c |
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atom x y z occ Biso |
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NaA2' 0 -.0117 .25 .754 1.0 |
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NaA1 .5 0 0 .948 .4 |
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FeM1 0 .2688 .25 1.3 |
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FeM2 .2819 .6580 .3674 1.38 |
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P1 0 -.2866 .25 .4 |
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P2 .2330 -.1097 .1230 .4 |
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O1 .4580 .7196 .541 .5 |
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O2 .0989 .6354 .239 .5 |
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O3 .3327 .6668 .109 .5 |
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O4 .1300 .3976 .329 .5 |
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O5 .2230 .8275 .321 .5 |
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O6 .3252 .5020 .389 .5 |
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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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Alluaudite |
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Antenucci D, Miehe G, Tarte P, Schmahl W W, Fransolet A-M |
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European Journal of Mineralogy 5 (1993) 207-213 |
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Combined X-ray Rietveld, infrared and Raman study of a new synthetic |
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variety of alluaudite, NaCdIn2(PO4)3 |
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_database_code_amcsd 0006478 |
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12.519 12.959 6.575 90 115.17 90 C2/c |
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atom x y z Biso |
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NaX1 1/2 0 0 3.5 |
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CdM1 0 .2619 1/4 2.1 |
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InM2 .2802 .6498 .3689 2.0 |
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P1 0 -.2875 1/4 2.1 |
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P2 .2441 -.1094 .137 2.5 |
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O1 .453 .717 .540 1.7 |
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O2 .093 .640 .235 2.6 |
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O3 .331 .663 .098 2.5 |
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O4 .123 .401 .317 3.0 |
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O5 .227 .819 .316 1.1 |
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O6 .305 .498 .354 3.0 |
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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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Alluaudite |
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Antenucci D, Fransolet A M, Miehe G, Tarte P |
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European Journal of Mineralogy 7 (1995) 175-181 |
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Synthese et cristallochimie de NaCaCdMg2(PO4)3, |
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Phosphate nouveau a structure alluaudite sans cation trivalent |
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Note: P2 y-coordinate changed to reproduce bond lengths |
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_database_code_amcsd 0006583 |
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12.005 12.675 6.546 90 114.55 90 C2/c |
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atom x y z occ Biso |
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NaX1 1/2 0 0 .474 2.8 |
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CdX1 1/2 0 0 .526 2.8 |
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NaX2 0 -.0305 1/4 .60 2.1 |
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CaX2 0 -.0305 1/4 .40 2.1 |
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CdM1 0 .2649 1/4 .420 1.7 |
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CaM1 0 .2649 1/4 .580 1.7 |
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MgM2 .2764 .6580 .363 1.3 |
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P1 0 -.2806 1/4 2.3 |
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P2 .2335 -.1036 .1296 1.0 |
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O1 .4526 .7100 .542 1.9 |
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O2 .095 .6454 .225 1.9 |
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O3 .329 .6619 .098 1.9 |
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O4 .127 .4123 .321 1.9 |
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O5 .229 .8300 .317 1.9 |
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O6 .333 .499 .391 1.9 |
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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) |
| |
|
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 = 298 K |
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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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|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Alluaudite |
|
Hatert F, Long G J, Hautot D, Fransolet A-M, Delwiche J, Hubin-Franskin M J, Grandjean F |
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Physics and Chemistry of Minerals 31 (2004) 487-506 |
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A structural, magnetic, and Mossbauer spectral study of several Na-Mn-Fe-bearing alluaudites |
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Sample: #1, synthetic |
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_database_code_amcsd 0008874 |
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12.048 12.623 6.511 90 114.58 90 C2/c |
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atom x y z occ Biso |
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NaA2' 0 -.0145 .25 .822 1.0 |
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NaA1 .5 0 0 .970 1.0 |
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Mn2+A1 .5 0 0 .015 1.0 |
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Mn2+M1 0 .2742 .25 .896 .5 |
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NaM1 0 .2742 .25 .104 .5 |
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Mn2+M2 .2825 .6580 .3590 .5 .5 |
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Fe3+M2 .2825 .6580 .3590 .5 .5 |
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P1 0 -.2885 .25 .5 |
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P2 .2325 -.1110 .130 .5 |
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O1 .4659 .7244 .557 1.0 |
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O2 .0939 .6360 .215 1.0 |
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O3 .3256 .6614 .108 1.0 |
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O4 .1366 .4080 .329 1.0 |
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O5 .2289 .8335 .342 1.0 |
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O6 .3238 .4983 .391 1.0 |
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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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