|
Na3H2As3O10 |
| |
Driss A, Jouini T |
 |
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Na3Fe2(AsO4)3 |
| |
Ouerfelli N, Guesmi A, Mazza D, Zid M F, Driss A |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Na1.79Mg1.79Fe1.21(PO4)3 |
| |
Hidouri M, Lajmi B, Driss A, Amara M B |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NaCoHP2O7 |
| |
Guesmi A, Driss A |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
K2MoO2P2O7 |
| |
Zid M F, Driss A, Jouini T |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
LiYb(PO3)4 |
| |
Zarkouna E B, Driss A |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
(Na0.38,Ca0.31)MgFe2P3O12 |
| |
Zid M F, Driss A, Jouini T |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Na3Fe2(AsO4)3 |
| |
Ouerfelli N, Guesmi A, Mazza D, Zid M F, Driss A |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
Multiple datasets can be concatenated into a single downloadable file by
selecting the datasets and then hitting the "Download Selected Data" button.
