|
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 |
|
NaMn(Fe1-xInx)2(PO4)3 alluaudite-type solid solution |
|
Sample: x = 0.25, NaMnFe1.5In0.5(PO4)3 |
|
_database_code_amcsd 0002971 |
|
12.064 12.641 6.428 90 114.63 90 C2/c |
|
atom x y z occ Biso |
|
NaA2' 0 -.03 .25 .033 1.0 |
|
NaA1 1/2 0 0 .500 3.3 |
|
MnM1 0 .2650 .25 .426 .6 |
|
InM1 0 .2650 .25 .074 .6 |
|
FeM2 .2831 .6520 .3717 .75 .8 |
|
InM2 .2831 .6520 .3717 .218 .8 |
|
MnM2 .2831 .6520 .3717 .032 .8 |
|
P1 0 -.2825 .25 .5 .6 |
|
P2 .2375 -.1086 .1331 .6 |
|
O1 .4589 .7284 .529 .4 |
|
O2 .0969 .6358 .234 .4 |
|
O3 .3242 .6609 .106 .4 |
|
O4 .1329 .3955 .327 .4 |
|
O5 .2239 .8283 .315 .4 |
|
O6 .3110 .5012 .371 .4 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
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 |
|
NaMn(Fe1-xInx)2(PO4)3 alluaudite-type solid solution |
|
Sample: x = 0.50, NaMnFeIn(PO4)3 |
|
_database_code_amcsd 0002972 |
|
12.131 12.746 6.470 90 114.84 90 C2/c |
|
atom x y z occ Biso |
|
NaA2' 0 -.011 .25 .059 1.0 |
|
NaA1 1/2 0 0 .490 3.3 |
|
MnM1 0 .2631 .25 .390 .8 |
|
InM1 0 .2631 .25 .110 .8 |
|
FeM2 .2831 .6504 .3731 .5 .33 |
|
InM2 .2831 .6504 .3731 .413 .33 |
|
MnM2 .2831 .6504 .3731 .087 .33 |
|
P1 0 -.2886 .25 .5 .3 |
|
P2 .2407 -.1099 .1306 .3 |
|
O1 .4549 .7199 .534 .2 |
|
O2 .0977 .6355 .242 .2 |
|
O3 .3304 .6625 .104 .2 |
|
O4 .1278 .3942 .324 .2 |
|
O5 .2234 .8212 .312 .2 |
|
O6 .3122 .4970 .370 .2 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
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 |
|
NaMn(Fe1-xInx)2(PO4)3 alluaudite-type solid solution |
|
Sample: x = 0.75, NaMnFe.5In1.5(PO4)3 |
|
_database_code_amcsd 0002973 |
|
12.222 12.845 6.507 90 115.11 90 C2/c |
|
atom x y z occ Biso |
|
NaA2' 0 .008 .25 .052 1.0 |
|
NaA1 1/2 0 0 .498 3.7 |
|
MnM1 0 .2635 .25 .377 1.0 |
|
InM1 0 .2635 .25 .123 1.0 |
|
FeM2 .2844 .6497 .3740 .25 .52 |
|
InM2 .2844 .6497 .3740 .64 .52 |
|
MnM2 .2844 .6497 .3740 .11 .52 |
|
P1 0 -.2898 .25 .5 .2 |
|
P2 .2407 -.1116 .1329 .2 |
|
O1 .4560 .7198 .536 .1 |
|
O2 .0972 .6335 .242 .1 |
|
O3 .3325 .6625 .105 .1 |
|
O4 .1291 .3934 .328 .1 |
|
O5 .2252 .8198 .311 .1 |
|
O6 .3130 .4937 .369 .1 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
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 |
|
NaMn(Fe1-xInx)2(PO4)3 alluaudite-type solid solution |
|
Sample: x = 0.75, NaMnFe.5In1.5(PO4)3 |
|
_database_code_amcsd 0002974 |
|
12.222 12.845 6.507 90 115.11 90 C2/c |
|
atom x y z occ Biso |
|
NaA2' 0 .008 .25 .052 1.0 |
|
NaA1 1/2 0 0 .498 3.7 |
|
MnM1 0 .2635 .25 .377 1.0 |
|
InM1 0 .2635 .25 .123 1.0 |
|
FeM2 .2844 .6497 .3740 .25 .52 |
|
InM2 .2844 .6497 .3740 .64 .52 |
|
MnM2 .2844 .6497 .3740 .11 .52 |
|
P1 0 -.2898 .25 .5 .2 |
|
P2 .2407 -.1116 .1329 .2 |
|
O1 .4560 .7198 .536 .1 |
|
O2 .0972 .6335 .242 .1 |
|
O3 .3325 .6625 .105 .1 |
|
O4 .1291 .3934 .328 .1 |
|
O5 .2252 .8198 .311 .1 |
|
O6 .3130 .4937 .369 .1 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
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 |
|
Na2(Mn1-xFe2+x)2Fe3+(PO4)3 alluaudite-type solid solution |
|
Sample: Na2Mn2Fe3+(PO4)3 (x = 0.00) |
|
_database_code_amcsd 0003754 |
|
12.024 12.629 6.515 90 114.58 90 C2/c |
|
atom x y z occ Biso |
|
NaA2' 0 -.021 .25 .922 2.4 |
|
NaA1 .5 0 0 .82 1.2 |
|
MnA1 .5 0 0 .18 1.2 |
|
MnM1 0 .2693 .25 .88 2.4 |
|
NaM1 0 .2693 .25 .12 2.4 |
|
MnM2 .2779 .6559 .359 .48 .5 |
|
Fe3+M2 .2779 .6559 .359 .50 .5 |
|
P1 0 -.287 .25 2.1 |
|
P2 .2344 -.1056 .134 2.1 |
|
O1 .463 .710 .553 .9 |
|
O2 .089 .6318 .247 .9 |
|
O3 .334 .671 .114 .9 |
|
O4 .137 .398 .340 .9 |
|
O5 .232 .823 .319 .9 |
|
O6 .327 .503 .393 .9 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
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 |
|
Na2(Mn1-xFe2+x)2Fe3+(PO4)3 alluaudite-type solid solution |
|
Sample: Na2Mn1.5Fe2+0.5Fe3+(PO4)3 (x = 0.25) |
|
_database_code_amcsd 0003755 |
|
11.995 12.596 6.495 90 114.60 90 C2/c |
|
atom x y z occ Biso |
|
NaA2' 0 -.013 .25 .678 1.0 |
|
NaA1 .5 0 0 .822 1.8 |
|
MnA1 .5 0 0 .178 1.8 |
|
MnM1 0 .2676 .25 .94 1.0 |
|
NaM1 0 .2676 .25 .06 1.0 |
|
MnM2 .2779 .6557 .3623 .21 .6 |
|
FeM2 .2779 .6557 .3623 .75 .6 |
|
P1 0 -.2822 .25 .9 |
|
P2 .2343 -.1074 .130 .9 |
|
O1 .4593 .7109 .535 .5 |
|
O2 .1043 .6383 .249 .5 |
|
O3 .3360 .6702 .115 .5 |
|
O4 .1293 .3980 .332 .5 |
|
O5 .2279 .8257 .318 .5 |
|
O6 .3262 .5017 .388 .5 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
Na2(Mn1-xFe2+x)2Fe3+(PO4)3 alluaudite-type solid solution |
|
Sample: Na2MnFe2+Fe3+(PO4)3 (x = 0.50) |
|
_database_code_amcsd 0003756 |
|
11.944 12.560 6.480 90 114.52 90 C2/c |
|
atom x y z occ Biso |
|
NaA2' 0 -.0113 .25 .760 1.2 |
|
NaA1 .5 0 0 .978 1.6 |
|
MnM1 0 .2690 .25 1.0 |
|
FeM2 .2795 .6573 .3641 .982 1.0 |
|
P1 0 -.2846 .25 1.0 |
|
P2 .2370 -.1106 .1238 1.0 |
|
O1 .4584 .7139 .538 1.1 |
|
O2 .1027 .6433 .239 1.1 |
|
O3 .3365 .6703 .110 1.1 |
|
O4 .1270 .3992 .328 1.1 |
|
O5 .2283 .8256 .326 1.1 |
|
O6 .3235 .4947 .384 1.1 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
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 |
|
Na2(Mn1-xFe2+x)2Fe3+(PO4)3 alluaudite-type solid solution |
|
Sample: Na2Mn0.5Fe2+1.5Fe3+(PO4)3 (x = 0.75) |
|
_database_code_amcsd 0003757 |
|
11.894 12.536 6.471 90 114.49 90 C2/c |
|
atom x y z occ Biso |
|
NaA2' 0 -.0110 .25 .762 1.9 |
|
NaA1 .5 0 0 2.2 |
|
MnM1 0 .2687 .25 .442 .3 |
|
FeM1 0 .2687 .25 .5 .3 |
|
FeM2 .2803 .6576 .3655 .990 .89 |
|
P1 0 -.2845 .25 1.0 |
|
P2 .2375 -.1096 .1243 1.0 |
|
O1 .4575 .7129 .536 1.2 |
|
O2 .1034 .6419 .242 1.2 |
|
O3 .3347 .6671 .109 1.2 |
|
O4 .1278 .4012 .329 1.2 |
|
O5 .2270 .8261 .323 1.2 |
|
O6 .3215 .4996 .3829 1.2 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
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 |
|
Na2(Mn1-xFe2+x)2Fe3+(PO4)3 alluaudite-type solid solution |
|
Sample: Na2Fe2+2Fe3+(PO4)3 (x = 1.00) |
|
_database_code_amcsd 0003758 |
|
11.849 12.539 6.486 90 114.51 90 C2/c |
|
atom x y z occ Biso |
|
NaA2' 0 -.0117 .25 .754 1.0 |
|
NaA1 .5 0 0 .948 .4 |
|
FeM1 0 .2688 .25 1.3 |
|
FeM2 .2819 .6580 .3674 1.38 |
|
P1 0 -.2866 .25 .4 |
|
P2 .2330 -.1097 .1230 .4 |
|
O1 .4580 .7196 .541 .5 |
|
O2 .0989 .6354 .239 .5 |
|
O3 .3327 .6668 .109 .5 |
|
O4 .1300 .3976 .329 .5 |
|
O5 .2230 .8275 .321 .5 |
|
O6 .3252 .5020 .389 .5 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Rosemaryite |
|
Hatert F, Hermann R P, Fransolet A M, Long G J, Grandjean F |
| |
European Journal of Mineralogy 18 (2006) 775-785 |
|
A structural, infrared, and Mossbauer spectral study of rosemaryite, NdMnFe3+Al(PO4)3 |
|
Locality: Buranga pegmatite, Rwanda |
|
_database_code_amcsd 0007183 |
|
12.001 12.396 6.329 90 114.48 90 P2_1/n |
|
atom x y z occ Uiso |
|
NaX2 -.0002 -.0135 .246 .436 .032 |
|
MnX1a .5 0 0 .450 .0442 |
|
NaX1a .5 0 0 .050 .0442 |
|
NaX1b .5 0 .5 .100 .032 |
|
MnX1b .5 0 .5 .069 .032 |
|
MnM1 .00274 .26107 .26214 .754 .0108 |
|
CaM1 .00274 .26107 .26214 .096 .0108 |
|
MgM1 .00274 .26107 .26214 .083 .0108 |
|
Fe2M1 .00274 .26107 .26214 .067 .0108 |
|
AlM2a .27947 -.34053 .3605 .685 .0071 |
|
Fe3M2a .27947 -.34053 .3605 .236 .0071 |
|
Fe2M2a .27947 -.34053 .3605 .079 .0071 |
|
Fe3M2b .22217 -.14821 .62934 .800 .0075 |
|
AlM2b .22217 -.14821 .62934 .100 .0075 |
|
MnM2b .22217 -.14821 .62934 .100 .0075 |
|
P1 .00354 -.28313 .2413 .0077 |
|
P2a .24199 -.09980 .1228 .0085 |
|
P2b .24454 .11190 .6469 .0073 |
|
O1a .4465 -.2854 .5177 .0111 |
|
O1b .4523 -.7083 .0450 .0128 |
|
O2a .1062 -.3509 .2250 .0170 |
|
O2b .0884 -.6352 .7373 .0157 |
|
O3a .3154 -.3299 .0893 .0115 |
|
O3b .3340 -.6571 .6109 .0179 |
|
O4a .1247 .4070 .3415 .0173 |
|
O4b .1172 -.3999 .7738 .0129 |
|
O5a .2336 -.1700 .3183 .0141 |
|
O5b .2242 -.8170 .8299 .0118 |
|
O6a .3114 -.4879 .3781 .0157 |
|
O6b .3152 -.4975 .8740 .0199 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Alluaudite |
|
Hatert F, Long G J, Hautot D, Fransolet A-M, Delwiche J, Hubin-Franskin M J, Grandjean F |
| |
Physics and Chemistry of Minerals 31 (2004) 487-506 |
|
A structural, magnetic, and Mossbauer spectral study of several Na-Mn-Fe-bearing alluaudites |
|
Sample: #1, synthetic |
|
_database_code_amcsd 0008874 |
|
12.048 12.623 6.511 90 114.58 90 C2/c |
|
atom x y z occ Biso |
|
NaA2' 0 -.0145 .25 .822 1.0 |
|
NaA1 .5 0 0 .970 1.0 |
|
Mn2+A1 .5 0 0 .015 1.0 |
|
Mn2+M1 0 .2742 .25 .896 .5 |
|
NaM1 0 .2742 .25 .104 .5 |
|
Mn2+M2 .2825 .6580 .3590 .5 .5 |
|
Fe3+M2 .2825 .6580 .3590 .5 .5 |
|
P1 0 -.2885 .25 .5 |
|
P2 .2325 -.1110 .130 .5 |
|
O1 .4659 .7244 .557 1.0 |
|
O2 .0939 .6360 .215 1.0 |
|
O3 .3256 .6614 .108 1.0 |
|
O4 .1366 .4080 .329 1.0 |
|
O5 .2289 .8335 .342 1.0 |
|
O6 .3238 .4983 .391 1.0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Rodolicoite |
|
Long G J, Cheetham A K, Battle P D |
| |
Inorganic Chemistry 22 (1983) 3012-3016 |
|
Study of the iron-phosphorus-oxygen system by Mossbauer effect, |
|
neutron diffraction, magnetic susceptibility, and analytical electron |
|
microscopy: some pitfalls and solutions in the analysis of a complex mixture |
|
Locality: synthetic |
|
_database_code_amcsd 0012693 |
|
5.036 5.036 11.255 90 90 120 P3_121 |
|
atom x y z |
|
Fe .4550 0 1/3 |
|
P .4614 0 5/6 |
|
O1 .4217 .3153 .3970 |
|
O2 .4081 .2612 .8759 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Fe12.91 Nd2 Si4.09 |
| |
Long G, Marasinghe G, Mishra S, Pringle O, Grandjean F, Buschow K, |
|
Middleton D, Yelon W, Pourarian F, Isnard O |
| |
Solid State Communications 88 (1993) 761-764 |
|
A neutron diffraction and Mossbauer effect study of the Nd2Fe17-xSix |
|
solid solutions |
|
_cod_database_code 1008641 |
|
_database_code_amcsd 0016530 |
|
8.5325 8.5325 12.4554 90 90 120 R-3m |
|
atom x y z occ |
|
Nd1 0 0 .3419 |
|
Fe1 0 0 .0961 |
|
Fe2 .5 0 .5 .848 |
|
Fe3 .2918 0 0 .792 |
|
Fe4 .5015 .4985 .1579 .602 |
|
Si1 .5 0 .5 .152 |
|
Si2 .2918 0 0 .208 |
|
Si3 .5015 .4985 .1579 .398 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
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