|
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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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
|
| |
|
Anthoinite |
|
Grey I E, Madsen I C, Mills S J, Hatert F, Peterson V K, Bastow T J |
| |
American Mineralogist 95 (2010) 639-645 |
|
A new type of cubic-stacked layer structure in anthoinite, AlWO3(OH)3 |
|
Locality: Mt Misobo Mine, Democratic Republic of the Congo |
|
_database_code_amcsd 0018557 |
|
8.196 9.187 11.316 92.82 94.08 90.23 I-1 |
|
atom x y z occ Biso |
|
Al1 .759 .4972 .8687 .685 2.19 |
|
W1 .759 .4972 .8687 .315 2.19 |
|
W2 .0477 .2475 .7542 .70 2.19 |
|
Al2 .0477 .2475 .7542 .30 2.19 |
|
Al3 .450 .254 .233 .875 2.19 |
|
W3 .450 .254 .233 .125 2.19 |
|
W4 .2408 .5139 .6304 .78 2.19 |
|
Al4 .2408 .5139 .6304 .22 2.19 |
|
O1 .751 .625 .707 2.02 |
|
O2 .222 .107 .708 2.02 |
|
O3 .897 .827 .590 2.02 |
|
O4 .432 .173 .900 2.02 |
|
O5 .571 .104 .188 2.02 |
|
O6 .420 .626 .688 2.02 |
|
O7 .417 .614 .200 2.02 |
|
O8 .415 .886 .323 2.02 |
|
O9 .391 .355 .610 2.02 |
|
O10 .419 .167 .405 2.02 |
|
O11 .305 .964 .535 2.02 |
|
O12 .743 .407 .517 2.02 |
|
H1 .205 .055 .649 .74 .95 |
|
H2A .424 .266 .030 .67 .95 |
|
H2B .415 .345 .018 .33 .95 |
|
H3 .239 .059 .164 .95 |
|
H4 .996 .417 .597 .95 |
|
H5A .297 .909 .086 .53 .95 |
|
H5B .295 .992 .054 .47 .95 |
|
H5C .228 .786 .002 .53 .95 |
|
H6 .099 .285 .027 .63 .95 |
|
H7 .900 .419 .007 .50 .95 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Bertossaite |
|
Hatert F, Lefevre P, Fransolet A M |
| |
The Canadian Mineralogist 49 (2011) 1079-1087 |
|
The crystal structure of bertossaite, CaLi2[Al4(PO4)4(OH,F)4] |
|
Locality: Buranga pegmatite, Rwanda |
|
_database_code_amcsd 0018635 |
|
11.476 15.744 7.228 90 90 90 Imcb |
|
atom x y z occ Uiso |
|
Li(1) .5 .2851 .2334 .93 .020 |
|
Na(1) .5 .2851 .2334 .07 .020 |
|
Li(2) .5 .2814 .320 .93 .008 |
|
Na(2) .5 .2814 .320 .07 .008 |
|
Ca .25 .5 .5 .87 .0106 |
|
Na .25 .5 .5 .13 .0106 |
|
Al .13082 .37439 .1405 .0052 |
|
P(1) .25 .29109 .5 .0054 |
|
P(2) 0 .45694 .7681 .0056 |
|
O(1) .1427 .2657 .0331 .0101 |
|
O(2) .2294 .3512 .3364 .0106 |
|
O(3) 0 .3938 .6123 .0117 |
|
O(4) 0 .4049 .9558 .0078 |
|
O(5) .1096 .4861 .2399 .0082 |
|
Oh(1) 0 .3368 .2648 .0076 |
|
Oh(2) .25 .4129 0 .0052 |
|
H(1) 0 .3572 .3789 .03 |
|
H(2) .25 .4498 0 .04 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
NaMnFe2(PO4)3 |
| |
Hatert F, Keller P, Lissner F, Antenucci D, Fransolet A-M |
| |
European Journal of Mineralogy 12 (2000) 847-857 |
|
First experimental evidence of alluaudite-like phosphates with high |
|
Li-content: the (Na1-xLix)MnFe2(PO4)3 series (x= 0 to 1) |
|
Sample: NaMnFe2(PO4)3 |
|
_database_code_amcsd 0006840 |
|
12.018 12.565 6.415 90 114.33 90 C2/c |
|
atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
NaA2' 0 -.0107 1/4 .47 3.5 .018 .042 .036 0 .001 0 |
|
NaA1 1/2 0 0 .53 3.83 .0430 .0074 .0273 .0004 -.0231 -.0009 |
|
MnM1 0 .26237 1/4 .84 .0082 .0097 .0093 0 .0056 0 |
|
FeM2 .28087 .65245 .37081 .55 .0055 .0061 .0055 -.00118 .00283 -.00128 |
|
P1 0 -.28581 1/4 .43 .0045 .0049 .0029 0 .0010 0 |
|
P2 .24182 -.10868 .13109 .50 .0060 .0046 .0044 -.0006 .0022 -.0006 |
|
O1 .4533 .71552 .5332 .96 .0091 .0121 .0069 -.0002 .0027 -.0023 |
|
O2 .0998 .63938 .2421 1.20 .0093 .0105 .0145 .0027 .0033 -.0032 |
|
O3 .3289 .66403 .1033 1.06 .0148 .0099 .0065 -.0023 .0036 -.0014 |
|
O4 .1224 .39788 .3148 1.31 .0096 .0111 .0199 .0012 .0073 -.0001 |
|
O5 .2251 .82225 .3177 1.05 .0120 .0128 .0078 -.0010 .0053 .0018 |
|
O6 .3127 .50206 .3763 1.30 .0161 .0084 .0144 -.0024 .0063 .0022 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Na.5Li.5MnFe2(PO4)3 |
| |
Hatert F, Keller P, Lissner F, Antenucci D, Fransolet A-M |
| |
European Journal of Mineralogy 12 (2000) 847-857 |
|
First experimental evidence of alluaudite-like phosphates with high |
|
Li-content: the (Na1-xLix)MnFe2(PO4)3 series (x= 0 to 1) |
|
Sample: Na.5Li.5MnFe2(PO4)3 |
|
_database_code_amcsd 0006841 |
|
11.988 12.500 6.392 90 114.67 90 C2/c |
|
atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
LiA2' 0 -.0106 1/4 .5 4.6 .030 .047 .046 0 -.002 0 |
|
NaA2' 0 -.0106 1/4 .23 4.6 .030 .047 .046 0 -.002 0 |
|
NaA1 1/2 0 0 .27 6.8 .065 .006 .055 .002 -.052 -.001 |
|
MnM1 0 .26410 1/4 .85 .0090 .0095 .0091 0 .0061 0 |
|
FeM2 .28030 .65277 .36868 .48 .0059 .0044 .0051 -.0007 .0031 -.0008 |
|
P1 0 -.28733 1/4 .46 .0056 .0036 .0037 0 .0012 0 |
|
P2 .24184 -.10815 .1330 .47 .0066 .0036 .0044 -.0001 .0026 -.0003 |
|
O1 .4525 .7164 .5324 .97 .011 .011 .007 -.0005 .0036 -.0015 |
|
O2 .0987 .6375 .2386 1.18 .009 .010 .014 .0010 .0030 -.0039 |
|
O3 .3284 .6643 .1022 1.11 .017 .009 .006 -.0019 .0036 -.0009 |
|
O4 .1221 .3994 .3096 1.50 .012 .012 .022 .0008 .0087 -.001 |
|
O5 .2244 .8221 .3180 .98 .011 .012 .007 -.0008 .0045 .0015 |
|
O6 .3148 .5023 .3772 1.27 .018 .007 .013 -.0018 .0057 .0010 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Graulichite-(Ce) |
| |
Hatert F, Lefevre P, Pasero M, Fransolet A-M |
| |
European Journal of Mineralogy 15 (2003) 733-739 |
|
Gaulichite-(Ce), a new arsenate mineral from the Stavelot Massif, Belgium |
|
Locality: Stavelot Massif, Belgium |
|
_database_code_amcsd 0007016 |
|
7.288 7.288 16.812 90 90 120 R-3m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ce 0 0 0 .0269 .034 .034 .012 .0171 0 0 |
|
Fe .5 .5 .5 .830 .0158 .020 .020 .010 .011 .0012 -.0012 |
|
Al .5 .5 .5 .170 .0158 .020 .020 .010 .011 .0012 -.0012 |
|
As 0 0 .3168 .924 .0174 .021 .021 .011 .0104 0 0 |
|
O1 0 0 .416 .024 .027 .027 .017 .014 0 0 |
|
O2 .2076 -.2076 -.0512 .027 .032 .032 .021 .019 -.001 .001 |
|
OH .1244 -.1244 .1328 .026 .020 .020 .037 .010 .003 -.003 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ferrorosemaryite |
| |
Hatert F, Lefevre P, Fransolet A M, Spirlet M R, |
|
Rebbouh L, Fontan F, Keller P |
| |
European Journal of Mineralogy 17 (2005) 749-759 |
|
Ferrorosemaryite, NaFe2+Fe3+Al(PO4)3, a new phosphate |
|
mineral from the Rubindi pegmatite, Rwanda |
|
Locality: Rubindi pegmatite, Rwanda |
|
_database_code_amcsd 0007132 |
|
11.838 12.347 6.2973 90 114.353 90 P2_1/n |
|
atom x y z occ Uiso |
|
MnX1a .5 0 0 .366 .0267 |
|
NaX1a .5 0 0 .135 .0267 |
|
NaX1b .5 0 .5 .190 .026 |
|
Fe2+M1 .00328 .26143 .26174 .665 .0083 |
|
Fe3+M1 .00328 .26143 .26174 .246 .0083 |
|
NaM1 .00328 .26143 .26174 .088 .0083 |
|
AlM2a .28229 -.34426 .36563 .708 .0060 |
|
Fe2+M2a .28229 -.34426 .36563 .155 .0060 |
|
Fe3+M2a .28229 -.34426 .36563 .141 .0060 |
|
FeM2b .21847 -.14873 .62250 .791 .0059 |
|
AlM2b .21847 -.14873 .62250 .215 .0059 |
|
P1 .00302 -.28623 .24047 .0068 |
|
P2a .24165 -.10219 .12096 .0071 |
|
P2b .24473 .11152 .64403 .0067 |
|
O1a .4481 -.2835 .5168 .0095 |
|
O1b .4531 -.7119 .0427 .0089 |
|
O2a .1081 -.3549 .2316 .0129 |
|
O2b .0936 -.6337 .7439 .0122 |
|
O3a .3186 -.3317 .0944 .0101 |
|
O3b .3339 -.6612 .6140 .0102 |
|
O4a .1227 .4024 .3394 .0139 |
|
O4b .1154 -.3969 .7783 .0137 |
|
O5a .2302 -.1721 .3171 .0111 |
|
O5b .2224 -.8169 .8274 .0098 |
|
O6a .3122 -.4902 .3835 .0129 |
|
O6b .3117 -.4998 .8723 .0123 |
|
|
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View JMOL 3-D Structure
|
| |
|
Na(NaMn)7Mn22(PO4)18*0.5H2O |
| |
Keller P, Hatert F, Lissner F, Schleid T, Fransolet A M |
| |
European Journal of Mineralogy 18 (2006) 765-774 |
|
Hydrothermal synthesis and crystal structure of Na(NaMn)7Mn22(PO4)18*0.5H2O, |
|
a new compund of fillowite structure type |
|
_database_code_amcsd 0007182 |
|
15.2741 15.2741 43.334 90 90 120 R-3 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mn1 0 0 0 .0256 .0282 .0282 .0202 0 0 .0141 |
|
Mn2 0 0 .5 .0162 .0167 .0167 .0153 0 0 .0083 |
|
Mn3 0 0 .10018 .0179 .0177 .0177 .0182 0 0 .0088 |
|
Mn4 0 0 .32434 .0158 .0166 .0166 .0142 0 0 .0083 |
|
Mn5 0 0 .39899 .0172 .0172 .0172 .0174 0 0 .0086 |
|
Mn6 .42812 .24537 .05085 .0210 .0192 .0275 .0179 -.0007 -.0002 .0129 |
|
Mn7 .11219 .57486 .03720 .0206 .0196 .0241 .0183 .0008 -.0008 .0109 |
|
Mn8 .00445 .32554 .08186 .0177 .0169 .0189 .0172 .0018 .0014 .0090 |
|
Mn9 .26385 .32804 .08524 .0195 .0213 .0196 .0173 -.0003 -.0006 .0099 |
|
Mn10 .57335 .08199 .12377 .0238 .0251 .0163 .0288 .0032 .0087 .0094 |
|
Mn11 .22349 .10704 .13345 .0209 .0192 .0194 .0245 .0033 .0045 .0098 |
|
Na12 .2758 .3010 .0003 .58 .0307 .033 .039 .025 -.006 -.002 .022 |
|
Mn12 .2502 .2738 .00287 .42 .0307 .033 .039 .025 -.006 -.002 .022 |
|
Na13 0 0 .17489 .28 .0210 .0226 .0226 .018 0 0 .0113 |
|
Mn13 0 0 .17489 .05 .0210 .0226 .0226 .018 0 0 .0113 |
|
Na21 0 0 .24893 .0313 .037 .037 .020 0 0 .0186 |
|
Na31 .0829 .4296 .16468 .93 .0361 .058 .052 .021 .0050 .0022 .044 |
|
Mn31 .0829 .4296 .16468 .07 .0361 .058 .052 .021 .0050 .0022 .044 |
|
P1 .19002 .43219 .02818 .0171 .0193 .0181 .0144 .0010 .0007 .0097 |
|
P2 .53382 .11384 .03978 .0176 .0214 .0169 .0154 .0017 .0022 .0103 |
|
P3 .54159 .09200 .19919 .0171 .0177 .0159 .0170 -.0007 .0003 .0078 |
|
P4 .21748 .12237 .20971 .0173 .0171 .0164 .0181 -.0017 -.0026 .0083 |
|
P5 .22252 .46132 .22164 .0153 .0170 .0147 .0141 .0005 -.0001 .0078 |
|
P6 .46731 .22037 .27971 .0189 .0166 .0207 .0203 -.0011 -.0003 .0101 |
|
O1 .1537 .3801 -.00295 .0371 .059 .025 .019 -.003 -.004 .015 |
|
O2 .2607 .5484 .02560 .0288 .034 .024 .018 .000 .001 .007 |
|
O3 .2516 .3903 .0438 .0358 .035 .050 .034 .015 .008 .030 |
|
O4 .0988 .4179 .04655 .0249 .021 .026 .028 .002 .002 .012 |
|
O5 .4609 .1271 .06093 .0219 .021 .021 .023 .001 .006 .010 |
|
O6 .5562 .0330 .05233 .0236 .024 .019 .028 .001 -.004 .011 |
|
O7 .6371 .2142 .03960 .0242 .023 .020 .029 .005 .006 .011 |
|
O8 .4887 .0896 .00756 .0315 .049 .032 .018 -.002 -.003 .024 |
|
O9 .5391 .0315 .17090 .0272 .034 .023 .021 -.003 .005 .012 |
|
O10 .6265 .2038 .19680 .0206 .020 .017 .022 .000 .003 .007 |
|
O11 .4395 .0897 .20210 .0223 .018 .021 .028 .003 -.001 .009 |
|
O12 .5519 .0422 .22887 .0219 .023 .021 .023 .002 -.002 .011 |
|
O13 .2346 .0796 .18002 .0309 .042 .033 .022 -.009 -.005 .022 |
|
O14 .1233 .1334 .20714 .0260 .018 .025 .036 -.002 -.006 .011 |
|
O15 .8902 .2427 .11622 .0221 .022 .023 .024 .004 .004 .013 |
|
O16 .1996 .0430 .23475 .0254 .034 .022 .021 .001 -.005 .014 |
|
O17 .2673 .5280 .19369 .0272 .035 .021 .022 .004 .004 .011 |
|
O18 .1045 .3993 .21904 .0205 .019 .022 .020 -.002 .000 .009 |
|
O19 .2542 .3795 .22192 .0212 .025 .021 .020 -.001 -.001 .013 |
|
O20 .2486 .5209 .25210 .0229 .030 .017 .020 -.003 -.003 .011 |
|
O21 .5212 .2538 .2486 .0331 .024 .035 .034 .004 .009 .010 |
|
O22 .3833 .1071 .27509 .0243 .022 .021 .027 -.001 .004 .009 |
|
O23 .4132 .2799 .2869 .0325 .034 .032 .041 .007 .006 .023 |
|
O24 .5330 .2237 .3061 .047 .051 .066 .043 -.027 -.028 .045 |
|
Wat25 .585 .129 .3140 .16 .017 .03 .03 .010 .006 .001 .021 |
|
|
| 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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View JMOL 3-D Structure
|
| |
|
Pumpellyite-(Al) |
| |
Hatert F, Pasero M, Perchiazzi N, Theye T |
| |
European Journal of Mineralogy 19 (2007) 247-253 |
|
Pumpellyite-(Al), a new mineral from Bertrix, Belgian Ardennes |
|
Locality: Bertrix, Ardennes mountains, Belgium |
|
_database_code_amcsd 0007217 |
|
8.818 5.898 19.126 90 97.26 90 A2/m |
|
atom x y z occ Uiso |
|
Ca1 .2501 .5 .3397 .041 |
|
Ca2 .1903 .5 .1547 .041 |
|
AlM1 .5 .25 .25 .75 .034 |
|
FeM1 .5 .25 .25 .125 .034 |
|
MgM1 .5 .25 .25 .125 .034 |
|
AlM2 .2543 .2485 .4963 .025 |
|
Si1 .0556 0 .0934 .034 |
|
Si2 .1711 0 .2477 .034 |
|
Si3 .4627 0 .4042 .034 |
|
O1 .1415 .2230 .0703 .047 |
|
O2 .2793 .2265 .2452 .047 |
|
O3 .3701 .2286 .4171 .047 |
|
O4 .1243 .5 .4408 .047 |
|
O5 .1256 0 .4590 .047 |
|
O6 .3662 .5 .0478 .047 |
|
O7 .3706 0 .0315 .047 |
|
O8 .0389 0 .1776 .047 |
|
O9 .4830 .5 .1755 .047 |
|
O10 .0658 0 .3129 .047 |
|
O11 .5097 .5 .3188 .047 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Sursassite |
|
Hatert F, Fransolet A M, Wouters J, Bernhardt H J |
| |
European Journal of Mineralogy 20 (2008) 993-998 |
|
The crystal structure of sursassite from the Lienne Valley, |
|
Stavelot Massif, Belgium |
|
Locality: Lienne syncline, Stravelot Massif, Belgium |
|
_database_code_amcsd 0007270 |
|
8.697 5.787 9.769 90 108.91 90 P2_1/m |
|
atom x y z occ Uiso |
|
MnMn1 .1675 .25 .3137 .79 .0147 |
|
CaMn1 .1675 .25 .3137 .21 .0147 |
|
Mn2 .2675 .25 .6750 .0187 |
|
AlAl1 .5 0 .5 .89 .0116 |
|
MnAl1 .5 0 .5 .11 .0116 |
|
Al2 .5 0 0 .0098 |
|
Al3 0 .5 0 .0084 |
|
Si1 .3074 .75 .1925 .0088 |
|
Si2 .2067 .75 .8076 .0091 |
|
Si3 .1557 .75 .4937 .0114 |
|
O1 .2646 .5134 .5019 .0145 |
|
O2 .1912 .5237 .1643 .0106 |
|
O3 .3139 .5168 .8333 .0128 |
|
O4 .4149 .75 .0821 .0092 |
|
O5 .4491 .75 .3538 .0117 |
|
O6 .0843 .25 .9292 .5 .0113 |
|
OH6 .0843 .25 .9292 .5 .0113 |
|
O7 .4385 .25 .3672 .5 .0125 |
|
OH7 .4385 .25 .3672 .5 .0125 |
|
O8 .0712 .75 .8939 .0102 |
|
O9 .0919 .75 .6372 .0104 |
|
OH10 -.0085 .75 .3568 .0170 |
|
OH11 .4108 .25 .0742 .0121 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Nielsbohrite |
|
Walenta K, Hatert F, Theye T, Lissner F, Roller K |
| |
European Journal of Mineralogy 21 (2009) 515-520 |
|
Nielsbohrite, a new potassium uranyl arsenate from the uranium deposit of |
|
Menzenschwand, southern Black Forest, Germany |
|
Locality: Menzenschwand, southern Black Forest, Germany |
|
_database_code_amcsd 0007287 |
|
8.193 11.430 13.500 90 90 90 Cccm |
|
atom x y z occ Uiso |
|
K 0 0 .5 .041 |
|
U1 .25 .25 .36478 .0308 |
|
U2 0 .5 .5 .0334 |
|
As 0 .5 .25 .0492 |
|
O1 .113 .4233 .3272 .049 |
|
O2 .066 -.1716 .1339 .041 |
|
OH3 .677 -.146 -3.5 .062 |
|
O4 -.172 .399 .5 .048 |
|
Wat5 0 0 .25 .023 |
|
OH6a .25 -.25 .3816 .67 .005 |
|
OH6b .25 -.25 .315 .33 .005 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Qingheiite-(Fe2+) |
| |
Hatert F, Baijot M, Philippo S, Wouters J |
| |
European Journal of Mineralogy 22 (2010) 459-467 |
|
Qingheiite-(Fe2+), Na2Fe2+MgAl(PO4)3, a new phosphate mineral |
|
from the Sebastiao Cristino pegmatite, Minas Gerais, Brazil |
|
Locality: the Sebastiao Cristino pegmatite, Minas Gerais, Brazil |
|
_database_code_amcsd 0018317 |
|
11.910 12.383 6.372 90 114.43 90 P2_1/n |
|
atom x y z occ Uiso |
|
NaX(2) .0005 -.0172 .2483 .573 .0317 |
|
MnX(1a) .5 0 0 .0110 |
|
NaX(1b) .5 0 .5 .952 .0206 |
|
FeM(1) .00083 .26084 .26527 .868 .0099 |
|
NaM(1) .00083 .26084 .26527 .132 .0099 |
|
AlM(2a) .28215 -.33551 .36006 .925 .0075 |
|
FeM(2a) .28215 -.33551 .36006 .075 .0075 |
|
FeM(2b) .22407 -.14767 .62912 .536 .0077 |
|
MgM(2b) .22407 -.14767 .62912 .464 .0077 |
|
P(1) .00633 -.28560 .23900 .0071 |
|
P(2a) .23910 -.09798 .11758 .0080 |
|
P(2b) .24058 .11455 .64754 .0077 |
|
O(1a) .4494 -.2828 .5156 .0109 |
|
O(1b) .4550 -.7109 .0508 .0100 |
|
O(2a) .1107 -.3511 .2200 .0136 |
|
O(2b) .0828 -.6277 .7435 .0121 |
|
O(3a) .3189 -.3264 .0873 .0117 |
|
O(3b) .3395 -.6548 .6130 .0118 |
|
O(4a) .1257 .4118 .3513 .0116 |
|
O(4b) .1189 -.3998 .7763 .0111 |
|
O(5a) .2368 -.1676 .3166 .0134 |
|
O(5b) .2226 -.8148 .8312 .0111 |
|
O(6a) .3169 -.4865 .3811 .0159 |
|
O(6b) .3224 -.4938 .8776 .0151 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Qingheiite-(Fe2+) |
| |
Hatert F, Baijot M, Philippo S, Wouters J |
| |
European Journal of Mineralogy 22 (2010) 459-467 |
|
Qingheiite-(Fe2+), Na2Fe2+MgAl(PO4)3, a new phosphate mineral |
|
from the Sebastiao Cristino pegmatite, Minas Gerais, Brazil |
|
Locality: the Sebastiao Cristino pegmatite, Minas Gerais, Brazil |
|
_database_code_amcsd 0018317 |
|
11.910 12.383 6.372 90 114.43 90 P2_1/n |
|
atom x y z occ Uiso |
|
NaX(2) .0005 -.0172 .2483 .573 .0317 |
|
MnX(1a) .5 0 0 .0110 |
|
NaX(1b) .5 0 .5 .952 .0206 |
|
FeM(1) .00083 .26084 .26527 .868 .0099 |
|
NaM(1) .00083 .26084 .26527 .132 .0099 |
|
AlM(2a) .28215 -.33551 .36006 .925 .0075 |
|
FeM(2a) .28215 -.33551 .36006 .075 .0075 |
|
FeM(2b) .22407 -.14767 .62912 .536 .0077 |
|
MgM(2b) .22407 -.14767 .62912 .464 .0077 |
|
P(1) .00633 -.28560 .23900 .0071 |
|
P(2a) .23910 -.09798 .11758 .0080 |
|
P(2b) .24058 .11455 .64754 .0077 |
|
O(1a) .4494 -.2828 .5156 .0109 |
|
O(1b) .4550 -.7109 .0508 .0100 |
|
O(2a) .1107 -.3511 .2200 .0136 |
|
O(2b) .0828 -.6277 .7435 .0121 |
|
O(3a) .3189 -.3264 .0873 .0117 |
|
O(3b) .3395 -.6548 .6130 .0118 |
|
O(4a) .1257 .4118 .3513 .0116 |
|
O(4b) .1189 -.3998 .7763 .0111 |
|
O(5a) .2368 -.1676 .3166 .0134 |
|
O(5b) .2226 -.8148 .8312 .0111 |
|
O(6a) .3169 -.4865 .3811 .0159 |
|
O(6b) .3224 -.4938 .8776 .0151 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Pb3Fe2(PO4)4(H2O) |
| |
Mills S J, Kolitsch U, Miyawaki R, Hatert F, Poirier G, Kampf A R, |
|
Matsubara S, Tillmanns E |
| |
European Journal of Mineralogy 22 (2010) 595-604 |
|
Pb3Fe3+2(PO4)4(H2O), a new octahedral-tetrahedral framework structure |
|
with double-strand chains |
|
Locality: synthetic |
|
T = 220 C |
|
_database_code_amcsd 0017730 |
|
9.0440 9.0440 16.766 90 90 90 P4_12_12 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Pb1 .13213 .13213 0 .01348 .0132 .0132 .0140 -.0026 .00283 -.00283 |
|
Pb2 .07837 .34364 .26523 .02156 .0256 .0270 .0121 -.0060 -.0006 .0007 |
|
Fe .5003 .25894 .12075 .0047 .0040 .0066 .0033 -.0003 .0001 -.0004 |
|
P1 .2283 .4920 .07791 .0069 .0059 .0114 .0034 .0021 .0008 -.0007 |
|
P2 .4681 .2687 .31889 .0074 .0139 .0021 .0063 -.0022 .0008 .0001 |
|
O1 .5226 .2219 .2380 .017 .021 .025 .004 -.002 .001 -.001 |
|
O2 .1025 .3816 .0675 .0143 .008 .017 .018 -.004 -.002 -.006 |
|
O3 .3401 .3772 .3149 .018 .027 .012 .015 .011 .004 .000 |
|
O4 .3589 .4244 .1252 .0102 .009 .012 .009 .007 -.006 -.003 |
|
O5 .0960 .1684 .3809 .0106 .010 .014 .008 .009 .002 .002 |
|
O6 .4234 .1281 .3665 .0074 .011 .006 .005 -.001 .000 .003 |
|
O7 .2169 .0449 .2528 .0157 .016 .025 .006 .001 .004 .005 |
|
O8 .3245 .1219 .1190 .013 .009 .010 .018 -.007 -.002 .003 |
|
Wat -.150 .082 .2375 .5 .010 |
|
|
| Download AMC data (View Text File)
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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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|
| |
|
Wolfeite |
|
Hatert F |
 |
Acta Crystallographica C63 (2007) i119-i121 |
|
Fe2(PO4)(OH), a synthetic analogue of wolfeite |
|
Sample: T = 1063 K, P = 2.5 GPa |
|
Locality: synthetic |
|
_database_code_amcsd 0010339 |
|
12.265 13.197 9.7385 90 108.63 90 P2_1/a |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Fe1 .18617 .47901 .19376 .01071 .01085 .01028 .0115 .00162 .00421 .00201 |
|
Fe2 .19694 .99592 .21291 .01149 .01351 .01112 .0101 .00264 .00419 -.00019 |
|
Fe3 .30513 .75256 .29273 .01123 .01163 .01179 .0103 .00277 .00360 -.00060 |
|
Fe4 .31951 .26973 .30345 .01105 .01120 .01042 .0117 .00139 .00393 .00247 |
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Fe5 .09624 .07077 .46901 .00972 .01012 .00916 .0101 .00001 .00349 -.00089 |
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Fe6 .08583 .57379 .45225 .01027 .01072 .00859 .0119 -.00026 .00411 -.00101 |
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Fe7 .39418 .67471 .03055 .00993 .01016 .00952 .01050 .00028 .00384 -.00084 |
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Fe8 .42078 .17817 .03819 .00997 .00924 .00860 .0117 .00014 .00278 -.00057 |
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P1 .07905 .82099 .38026 .00676 .0066 .0063 .0075 -.0002 .0024 .0003 |
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P2 .07602 .32635 .38299 .00686 .0074 .0061 .0076 -.0002 .0031 .0002 |
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P3 .42315 .42210 .11279 .00687 .0068 .0061 .0080 .0003 .0027 .0003 |
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P4 .42299 .92823 .11949 .00710 .0071 .0065 .0081 -.0004 .0031 -.0001 |
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O1 .04820 .41441 .4692 .0119 .0148 .0079 .0156 -.0011 .0087 -.0026 |
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O2 .06179 .90778 .4786 .0106 .0135 .0078 .0126 -.0012 .0072 -.0030 |
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O3 .43109 .84131 .01601 .0109 .0123 .0096 .0116 -.0009 .0050 -.0020 |
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O4 .45629 .33759 .02469 .0106 .0128 .0075 .0137 -.0009 .0070 -.0018 |
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O5 .02660 .04732 .24280 .0124 .0098 .0164 .0098 .0012 .0013 .0007 |
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O6 .04222 .55422 .2321 .0128 .0088 .0158 .0128 .0031 .0020 .0003 |
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O7 .46693 .70339 .25990 .0105 .0097 .0125 .0086 .0017 .0019 .0006 |
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O8 .46736 .20329 .25925 .0117 .0130 .0131 .0075 .0031 .0013 -.0002 |
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O9 .17370 .84765 .31467 .0105 .0107 .0086 .0143 .0019 .0068 .0017 |
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O10 .17260 .36039 .3235 .0114 .0113 .0100 .0152 .0023 .0075 .0026 |
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O11 .32383 .38410 .16570 .0106 .0101 .0102 .0139 .0004 .0071 .0026 |
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O12 .33438 .90383 .19549 .0104 .0108 .0106 .0124 .0001 .0075 .0006 |
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O13 .11945 .72824 .48136 .0100 .0124 .0067 .0101 -.0015 .0026 .0015 |
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O14 .11844 .23468 .48289 .0099 .0110 .0080 .0100 -.0002 .0023 .0026 |
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O15 .38401 .02293 .02153 .0111 .0131 .0076 .0123 .0004 .0037 .0012 |
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O16 .37744 .51319 .01106 .0105 .0113 .0083 .0115 .0000 .0031 .0016 |
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O17 .25267 .03010 .4355 .0127 .0122 .0097 .0151 -.0010 .0030 -.0007 |
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O18 .20709 .16164 .1946 .0138 .0158 .0117 .0153 -.0029 .0069 -.0023 |
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O19 .24270 .71909 .0681 .0115 .0109 .0092 .0136 .0004 .0025 .0015 |
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O20 .30206 .58279 .3086 .0136 .0131 .0134 .0157 -.0025 .0067 -.0016 |
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H1 .264 -.026 .453 .081 |
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H2 .152 .169 .215 .031 |
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H3 .234 .769 .055 .054 |
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H4 .361 .573 .279 .022 |
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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
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| |
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