American Mineralogist Crystal Structure Database

8 matching records for this search.

Na3H2As3O10
 
Driss A, Jouini T
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=46&spage=1185
Acta Crystallographica C46 (1990) 1185-1188
Structure d'un triarseniate: Na3H2As3O10
_database_code_amcsd 0010148
10.860 9.323 18.270 90 103.00 90 C2/c
atom     x     y     z Biso
As1  .1422 .1761 .1004  1.2
As2  .2798 .0140 .2457 1.15
As3  .4291 .1718 .3979 1.16
Na1  .1557 .3537 .4200  1.5
Na2  .8477 .0152 .5887  1.4
Na3      0 .2071   .25  1.6
Na4      0  .825   .25  2.2
O1    .152  .022 .0505  1.5
O2   .0020  .181 .1202  1.6
O3   .1852  .316 .0591  1.4
O4   .2597  .157 .1810  1.0
O5    .332 -.125 .2100  1.5
O6    .154  .005 .2815  1.7
O7   .4052  .093 .3090  1.4
O8    .555  .072 .4400  1.2
O9   .3100  .160 .4393  1.3
O10   .473  .339 .3859  1.5
H1     .13  -.03   .07
H2     .59   .14   .48
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Na3Fe2(AsO4)3
 
Ouerfelli N, Guesmi A, Mazza D, Zid M F, Driss A
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=64&spage=41
Acta Crystallographica C64 (2008) i41-i44
L'arseniate Na3Fe2(AsO4)3: etude structurale de la forme basse temperature
et simulation des propriete de conduction des cations alcalins
Locality: synthetic
Note: garnet structure
_database_code_amcsd 0010342
12.250 12.250 12.250 90 90 90 Ia3d
atom      x      y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na       .5    .25  -.125 .0227  .0263  .0263  .0155 -.0014   .000   .000
Fe       .5     .5      0 .0148  .0148  .0148  .0148 -.0002 -.0002  .0002
As       .5    .25   .125 .0134  .0135  .0135  .0133   .000   .000   .000
O    .54794 .34753 .03899 .0155  .0175  .0136  .0155 -.0013  .0012  .0017
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Na1.79Mg1.79Fe1.21(PO4)3
 
Hidouri M, Lajmi B, Driss A, Amara M B
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=1600-5368&volume=59&spage=7
Acta Crystallographica E59 (2003) i7-i9
The alluaudite-like phosphate Na1.79Mg1.79Fe1.21(PO4)3
_database_code_amcsd 0010376
11.791 12.489 6.4191 90 113.82 90 C2/c
atom      x       y      z   occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na1      .5       0      0        .0234  .0323  .0092  .0151 -.0018 -.0045 -.0009
Na2       0  -.0115    .25 .7917  .0466  .0290  .0504  .0477      0  .0022      0
Mg1       0  .26564    .25        .0088  .0088  .0081  .0108      0  .0053      0
Mg2  .21714  .15533 .12852 .3960 .00778  .0075  .0071  .0092 .00082 .00386 .00084
Fe2  .21714  .15533 .12852 .6041 .00778  .0075  .0071  .0092 .00082 .00386 .00084
P1       .5  .21062    .25       .00583  .0057  .0051  .0062      0  .0020      0
O11  .45796  .28120  .0322        .0087  .0078  .0106  .0073  .0003  .0025  .0025
O12  .39708  .13456  .2493        .0123  .0090  .0095  .0173 -.0016  .0042  .0037
P2   .23741  .11008 .62617       .00601  .0066  .0048  .0067 .00032  .0028  .0002
O21  .37541  .10417  .6758        .0112  .0087  .0093  .0166  .0005  .0060 -.0002
O22  .17902 -.00119  .6170        .0118  .0134  .0073  .0151 -.0018  .0061  .0013
O23  .16302  .16543  .3925        .0098  .0116  .0081  .0090  .0013  .0036  .0005
O24  .22191  .17812  .8158        .0099  .0105  .0104  .0088  .0001  .0041 -.0007
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NaCoHP2O7
 
Guesmi A, Driss A
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=1600-5368&volume=58&spage=108
Acta Crystallographica E58 (2002) i108-i110
Sodium cobalt(II) hydrogendiphosphate, NaCoHP2O7
_database_code_amcsd 0010391
6.5629 6.6430 6.5309 112.600 87.935 96.140 P-1
atom      x      y      z occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3) U(2,3)
Na    .6582  .7594   .302 .65  .0242   .026  .0162   .031  .0057    .014  .0093
Na'    .613  .7404   .221 .35   .023   .020  .0145   .032  .0007    .012   .008
Co   .14557 .38935 .28318     .00892 .00891 .00918 .00716 .00045 -.00017 .00158
P1   .12068 .86406 .16792     .00787  .0088  .0080  .0060 .00102  .00036  .0019
P2   .64276 .28014 .25330     .00711  .0075  .0071  .0060 .00080  .00021  .0017
O1    .8274  .4464  .3630      .0099  .0091  .0098  .0080 -.0018   .0003  .0012
O2    .1139  .0960  .3312      .0124  .0162  .0093  .0102  .0025   .0036  .0020
O3    .4643  .3913  .2215      .0130  .0098  .0137  .0163  .0022   .0003  .0064
O4    .2102  .7202  .2764      .0128  .0186  .0101  .0101  .0014  -.0041  .0040
O5    .9229  .7475  .0489      .0116  .0104  .0157  .0077  .0003  -.0008  .0035
O6    .7117  .1209  .0136      .0111  .0118  .0108  .0070 -.0008   .0027  .0003
O7    .5890  .1272  .3791      .0111  .0138  .0113  .0094 -.0011  -.0015  .0056
H      .262   .780   .397       .050
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K2MoO2P2O7
 
Zid M F, Driss A, Jouini T
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=1600-5368&volume=59&spage=65
Acta Crystallographica E59 (2003) i65-i67
K2MoO2P2O7
_database_code_amcsd 0010407
13.7780 8.0216 15.5950 90 98.440 90 C2/c
atom       x      y      z   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K1    .14457  .1634 .23762  .0213  .0177  .0265  .0192  .0038  .0012 -.0034
K2    .14160  .9143 .47828  .0239  .0246  .0214  .0253  .0026  .0025  .0010
Mo   -.11455 .64360 .36439 .01090  .0108  .0122  .0096  .0019  .0011  .0014
P1    .12930  .5808 .34432  .0116  .0115  .0134  .0101 -.0007  .0020  .0011
P2    .03780  .3007 .42395  .0112  .0122  .0117  .0097  .0018  .0015  .0006
O1     .2230  .6669  .3785  .0171   .012   .020   .019   .001   .001  -.002
O2     .0373  .6790  .3552  .0141   .013   .013   .017  -.002   .004   .001
O3     .0270  .1476  .3689  .0200   .023   .018   .017   .003  -.003  -.005
O4    -.0534  .4096  .4174  .0158   .016   .013   .019   .003   .005   .003
O5     .0724  .2488  .5193  .0149   .020   .012   .012   .004   .000   .002
O6     .1279  .4102  .3988  .0172   .013   .021   .018   .004   .004   .011
O7     .1239  .5159  .2495  .0178   .025   .018   .011   .002   .003  -.001
O8    -.2245  .5729  .3882  .0216   .014   .029   .023  -.001   .005   .004
O9    -.1462  .8279  .3135  .0196   .028   .015   .016   .006   .000   .004
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LiYb(PO3)4
 
Zarkouna E B, Driss A
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=1600-5368&volume=60&spage=102
Acta Crystallographica E60 (2004) i102-i104
LiYb(PO3)4
_database_code_amcsd 0010436
16.194 7.0240 9.498 90 125.910 90 C2/c
atom      x      y      z   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Li        0   .294    .75   .015   .019   .014   .015      0   .012      0
Yb        0 .20382    .25 .00500  .0055  .0053  .0038      0 .00260      0
P1   .13736 .44970 .11650  .0049  .0050  .0048  .0044  .0004  .0024  .0005
P2   .85435  .1483 .80600  .0049  .0051  .0051  .0045 -.0005  .0027 -.0009
O1    .1127  .2852  .1851  .0105   .012  .0060   .015  .0000  .0090  .0030
O2    .9304  .0808  .7772  .0086  .0100  .0070  .0120 -.0010  .0080 -.0020
O3    .8721  .1164  .9765  .0096  .0100  .0130  .0020 -.0020  .0020  .0010
O4    .8442  .3717  .7656  .0085  .0150  .0030  .0070  .0010  .0070 -.0010
O5    .7453  .0757  .6493  .0083  .0060   .012  .0060 -.0030  .0030 -.0040
O6    .0647  .4987  .9274  .0083  .0070  .0100  .0040  .0010  .0010  .0000
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(Na0.38,Ca0.31)MgFe2P3O12
 
Zid M F, Driss A, Jouini T
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=1600-5368&volume=61&spage=46
Acta Crystallographica E61 (2005) i46-i48
(Na0.38,Ca0.31)MgFe2P3O12
_database_code_amcsd 0010441
11.852 12.4580 6.3861 90 113.840 90 C2/c
atom      x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na        0  .9968    .25 .376  .026   .010   .041   .020      0  -.001      0
Ca       .5      0     .5 .312  .027   .027   .012   .025   .003  -.007  .0005
Mg       .5  .7644    .25      .0107  .0101  .0120  .0115      0  .0061      0
Fe   .78242 .84605 .86970       0091  .0104  .0086  .0086  .0004  .0043  .0009
P1   .74054 .60906  .6295      .0049  .0074  .0038  .0039  .0000  .0028 -.0002
P2       .5 .78720    .75      .0044  .0044  .0058  .0027      0  .0010      0
O1    .8322  .8350  .6045      .0079   .013   .006  .0040  .0020  .0032  .0012
O2    .3769  .8977  .1809      .0123   .009   .014   .015 -.0013  .0060  .0013
O3    .7763  .8217  .1820      .0070   .010   .008   .004 -.0002  .0029 -.0005
O4    .8174  .9980  .8791      .0102   .016   .004   .012 -.0002  .0069 -.0014
O5    .6013  .8635  .7462      .0096   .006   .009   .013 -.0011  .0023  .0032
O6    .9561  .7834  .0323      .0079   .007   .010   .005  .0000  .0009  .0028
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Na3Fe2(AsO4)3
 
Ouerfelli N, Guesmi A, Mazza D, Zid M F, Driss A
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=64&spage=41
Acta Crystallographica C64 (2008) i41-i44
L'arseniate Na3Fe2(AsO4)3: etude structurale de la forme basse temperature et
simulation des proprietes de conduction des cations alcalins
Note: garnet structure
Locality: synthetic
_database_code_amcsd 0010481
12.250 12.250 12.250 90 90 90 Ia-3d
atom      x      y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na       .5    .25   .875 .0227  .0263  .0263  .0155 -.0014      0      0
Fe       .5     .5      0 .0148  .0148  .0148  .0148 -.0002 -.0002  .0002
As       .5    .25   .125 .0134  .0135  .0135  .0133      0      0      0
O    .54794 .34753 .03899 .0155  .0175  .0136  .0155 -.0013  .0012  .0017
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Total number of retrieved datasets: 8
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