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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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NaMnFe2(PO4)3 |
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Hatert F, Keller P, Lissner F, Antenucci D, Fransolet A-M |
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European Journal of Mineralogy 12 (2000) 847-857 |
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First experimental evidence of alluaudite-like phosphates with high |
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Li-content: the (Na1-xLix)MnFe2(PO4)3 series (x= 0 to 1) |
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Sample: NaMnFe2(PO4)3 |
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_database_code_amcsd 0006840 |
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12.018 12.565 6.415 90 114.33 90 C2/c |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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NaA2' 0 -.0107 1/4 .47 3.5 .018 .042 .036 0 .001 0 |
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NaA1 1/2 0 0 .53 3.83 .0430 .0074 .0273 .0004 -.0231 -.0009 |
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MnM1 0 .26237 1/4 .84 .0082 .0097 .0093 0 .0056 0 |
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FeM2 .28087 .65245 .37081 .55 .0055 .0061 .0055 -.00118 .00283 -.00128 |
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P1 0 -.28581 1/4 .43 .0045 .0049 .0029 0 .0010 0 |
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P2 .24182 -.10868 .13109 .50 .0060 .0046 .0044 -.0006 .0022 -.0006 |
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O1 .4533 .71552 .5332 .96 .0091 .0121 .0069 -.0002 .0027 -.0023 |
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O2 .0998 .63938 .2421 1.20 .0093 .0105 .0145 .0027 .0033 -.0032 |
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O3 .3289 .66403 .1033 1.06 .0148 .0099 .0065 -.0023 .0036 -.0014 |
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O4 .1224 .39788 .3148 1.31 .0096 .0111 .0199 .0012 .0073 -.0001 |
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O5 .2251 .82225 .3177 1.05 .0120 .0128 .0078 -.0010 .0053 .0018 |
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O6 .3127 .50206 .3763 1.30 .0161 .0084 .0144 -.0024 .0063 .0022 |
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Na.5Li.5MnFe2(PO4)3 |
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Hatert F, Keller P, Lissner F, Antenucci D, Fransolet A-M |
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European Journal of Mineralogy 12 (2000) 847-857 |
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First experimental evidence of alluaudite-like phosphates with high |
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Li-content: the (Na1-xLix)MnFe2(PO4)3 series (x= 0 to 1) |
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Sample: Na.5Li.5MnFe2(PO4)3 |
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_database_code_amcsd 0006841 |
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11.988 12.500 6.392 90 114.67 90 C2/c |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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LiA2' 0 -.0106 1/4 .5 4.6 .030 .047 .046 0 -.002 0 |
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NaA2' 0 -.0106 1/4 .23 4.6 .030 .047 .046 0 -.002 0 |
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NaA1 1/2 0 0 .27 6.8 .065 .006 .055 .002 -.052 -.001 |
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MnM1 0 .26410 1/4 .85 .0090 .0095 .0091 0 .0061 0 |
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FeM2 .28030 .65277 .36868 .48 .0059 .0044 .0051 -.0007 .0031 -.0008 |
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P1 0 -.28733 1/4 .46 .0056 .0036 .0037 0 .0012 0 |
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P2 .24184 -.10815 .1330 .47 .0066 .0036 .0044 -.0001 .0026 -.0003 |
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O1 .4525 .7164 .5324 .97 .011 .011 .007 -.0005 .0036 -.0015 |
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O2 .0987 .6375 .2386 1.18 .009 .010 .014 .0010 .0030 -.0039 |
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O3 .3284 .6643 .1022 1.11 .017 .009 .006 -.0019 .0036 -.0009 |
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O4 .1221 .3994 .3096 1.50 .012 .012 .022 .0008 .0087 -.001 |
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O5 .2244 .8221 .3180 .98 .011 .012 .007 -.0008 .0045 .0015 |
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O6 .3148 .5023 .3772 1.27 .018 .007 .013 -.0018 .0057 .0010 |
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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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Graulichite-(Ce) |
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Hatert F, Lefevre P, Pasero M, Fransolet A-M |
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European Journal of Mineralogy 15 (2003) 733-739 |
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Gaulichite-(Ce), a new arsenate mineral from the Stavelot Massif, Belgium |
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Locality: Stavelot Massif, Belgium |
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_database_code_amcsd 0007016 |
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7.288 7.288 16.812 90 90 120 R-3m |
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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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Ce 0 0 0 .0269 .034 .034 .012 .0171 0 0 |
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Fe .5 .5 .5 .830 .0158 .020 .020 .010 .011 .0012 -.0012 |
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Al .5 .5 .5 .170 .0158 .020 .020 .010 .011 .0012 -.0012 |
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As 0 0 .3168 .924 .0174 .021 .021 .011 .0104 0 0 |
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O1 0 0 .416 .024 .027 .027 .017 .014 0 0 |
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O2 .2076 -.2076 -.0512 .027 .032 .032 .021 .019 -.001 .001 |
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OH .1244 -.1244 .1328 .026 .020 .020 .037 .010 .003 -.003 |
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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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Alluaudite |
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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
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