American Mineralogist Crystal Structure Database

4 matching records for this search.

Alluaudite
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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
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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
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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
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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
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Total number of retrieved datasets: 4
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