American Mineralogist Crystal Structure Database

14 matching records for this search.

Alluaudite
Download hom/alluaudite.pdf
Moore P B
Download am/vol56/AM56_1955.pdf
American Mineralogist 56 (1971) 1955-1975
Crystal chemistry of the alluaudite structure type: Contribution to the
paragenesis of pegmatite phosphate giant crystals
_database_code_amcsd 0000266
12.004 12.533 6.404 90 114.4 90 C2/c
atom     x      y     z  occ Biso
Na1x    .5      0     0 .625 1.59
Mn1x    .5      0     0 .175 1.59
Ca1x    .5      0     0 .125 1.59
Mn1m     0  .2599   .25 .950  .60
Mg1m     0  .2599   .25 .025  .60
Li1m     0  .2599   .25 .025  .60
Fe2m .2812  .6525 .3713 .988  .50
Mg2m .2812  .6525 .3713 .012  .50
P1       0 -.2855   .25       .59
P2   .2424 -.1089 .1325       .69
O1   .4533  .7152 .5342       .75
O2   .0988  .6375 .2401      1.22
O3   .3272  .6633 .1020      1.02
O4   .1213  .3974 .3119      1.41
O5   .2251  .8220 .3172       .92
O6   .3102  .5021 .3735      1.34
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Alluaudite
Download hom/alluaudite.pdf
Hatert F, Hermann R P, Long G J, Fransolet A M, Grandjean F
Download am/vol88/AM88_211.pdf
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
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Alluaudite
Download hom/alluaudite.pdf
Hatert F, Hermann R P, Long G J, Fransolet A M, Grandjean F
Download am/vol88/AM88_211.pdf
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
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Alluaudite
Download hom/alluaudite.pdf
Hatert F, Hermann R P, Long G J, Fransolet A M, Grandjean F
Download am/vol88/AM88_211.pdf
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
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View JMOL 3-D Structure (permalink)
 
Alluaudite
Download hom/alluaudite.pdf
Hatert F, Hermann R P, Long G J, Fransolet A M, Grandjean F
Download am/vol88/AM88_211.pdf
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
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View JMOL 3-D Structure (permalink)
 
Alluaudite
Download hom/alluaudite.pdf
Hatert F, Rebbouh L, Hermann R P, Fransolet A M, Long G J, Grandjean F
Download am/vol90/AM90_653.pdf
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 (permalink)
 
Alluaudite
Download hom/alluaudite.pdf
Hatert F, Rebbouh L, Hermann R P, Fransolet A M, Long G J, Grandjean F
Download am/vol90/AM90_653.pdf
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 (permalink)
 
Alluaudite
Download hom/alluaudite.pdf
Hatert F, Rebbouh L, Hermann R P, Fransolet A M, Long G J, Grandjean F
Download am/vol90/AM90_653.pdf
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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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Alluaudite
Download hom/alluaudite.pdf
Hatert F, Rebbouh L, Hermann R P, Fransolet A M, Long G J, Grandjean F
Download am/vol90/AM90_653.pdf
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 (permalink)
 
Alluaudite
Download hom/alluaudite.pdf
Hatert F, Rebbouh L, Hermann R P, Fransolet A M, Long G J, Grandjean F
Download am/vol90/AM90_653.pdf
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 (permalink)
 
Alluaudite
Download hom/alluaudite.pdf
Antenucci D, Miehe G, Tarte P, Schmahl W W, Fransolet A-M
 
European Journal of Mineralogy 5 (1993) 207-213
Combined X-ray Rietveld, infrared and Raman study of a new synthetic
variety of alluaudite, NaCdIn2(PO4)3
_database_code_amcsd 0006478
12.519 12.959 6.575 90 115.17 90 C2/c
atom     x      y     z Biso
NaX1   1/2      0     0  3.5
CdM1     0  .2619   1/4  2.1
InM2 .2802  .6498 .3689  2.0
P1       0 -.2875   1/4  2.1
P2   .2441 -.1094  .137  2.5
O1    .453   .717  .540  1.7
O2    .093   .640  .235  2.6
O3    .331   .663  .098  2.5
O4    .123   .401  .317  3.0
O5    .227   .819  .316  1.1
O6    .305   .498  .354  3.0
Download AMC data (View Text File)
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Alluaudite
Download hom/alluaudite.pdf
Antenucci D, Fransolet A M, Miehe G, Tarte P
 
European Journal of Mineralogy 7 (1995) 175-181
Synthese et cristallochimie de NaCaCdMg2(PO4)3,
Phosphate nouveau a structure alluaudite sans cation trivalent
Note: P2 y-coordinate changed to reproduce bond lengths
_database_code_amcsd 0006583
12.005 12.675 6.546 90 114.55 90 C2/c
atom     x      y     z  occ Biso
NaX1   1/2      0     0 .474  2.8
CdX1   1/2      0     0 .526  2.8
NaX2     0 -.0305   1/4  .60  2.1
CaX2     0 -.0305   1/4  .40  2.1
CdM1     0  .2649   1/4 .420  1.7
CaM1     0  .2649   1/4 .580  1.7
MgM2 .2764  .6580  .363       1.3
P1       0 -.2806   1/4       2.3
P2   .2335 -.1036 .1296       1.0
O1   .4526  .7100  .542       1.9
O2    .095  .6454  .225       1.9
O3    .329  .6619  .098       1.9
O4    .127  .4123  .321       1.9
O5    .229  .8300  .317       1.9
O6    .333   .499  .391       1.9
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Alluaudite
Download hom/alluaudite.pdf
Redhammer G J, Tippelt G, Bernroider M, Lottermoser W, Amthauer G, Roth G
 
European Journal of Mineralogy 17 (2005) 915-932
Hagendorfite (Na,Ca)MnFe2(PO4)3 from type locality Hagendorf (Bavaria, Germany):
Crystal structure determination and 57Fe Mossbauer spectroscopy
Locality: Buranga, Rwanda
Sample: T = 298 K
_database_code_amcsd 0007139
11.9941 12.5256 6.3973 90 114.257 90 C2/c
atom      x      y     z occ  Uiso
NaA1     .5     .0     0 .68 .0371
CaA1     .5     .0     0 .32 .0371
NaA2'     0 -.0136   .25 .16 .0387
FeM1      0  .2598   .25     .0122
FeM2  .2813  .6521 .3721 .74 .0093
AlM2  .2813  .6521 .3721 .26 .0093
P1        0 -.2852   .25     .0096
P2    .2428 -.1086 .1319     .0097
O1    .4531  .7150 .5330     .0125
O2    .0993  .6397 .2412     .0163
O3    .3275  .6640 .1024     .0133
O4    .1211  .3980 .3131     .0163
O5    .2259  .8221 .3185     .0134
O6    .3105  .5023 .3745     .0170
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Alluaudite
Download hom/alluaudite.pdf
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
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View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 14
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