American Mineralogist Crystal Structure Database

16 matching records for this search.

BaCuInF7
 
de Kozak A, Samouel M, Renaudin J, Ferey G
Download zk/vol189/ZK189_77.pdf
Zeitschrift fur Kristallographie 189 (1989) 77-87
Structure of BaCuInF7: The interpretation beween a pyrochlor-like
edge-sharing network of octahedra and a defect fluorite structure
_cod_database_code 1000485
_database_code_amcsd 0010995
6.843 6.843 12.001 90 90 90 *I4_1/amd
0 -.25 .125
atom     x   y     z occ U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3) U(2,3)
Ba1      0 .25  .375      .0226  .0226  .0229 -.00068      0      0
Cu1      0   0     0  .5  .0094  .0084  .0370  -.0036      0      0
In1      0   0     0  .5  .0094  .0084  .0370  -.0036      0      0
F1   .2854   0     0      .0213  .0358  .0324  -.0120      0      0
F2       0 .25 .0937      .0398  .0175  .0327       0      0      0
F3       0 .75  .125      .0573  .0573  .0414       0      0      0
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Ba7CuFe6F34
 
Renaudin J, Ferey G, Drillon M, De Kozak A, Samouel M
 
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 308 (1989) 1217-1222
La structure magnetique du ferrimagnetique monodimensionnel Ba7CuFe6F34 de type jarlite
_cod_database_code 1000278
_database_code_amcsd 0012304
16.892 11.331 7.646 90 101.75 90 C2/m
atom      x     y     z
Ba1       0     0     0
Ba2   .2625     0  .128
Ba3   .1421 .3015  .300
Cu1       0    .5    .5
Fe1   .1738     0 .5427
Fe2   .1098 .2411 .8009
F1    .3812 .1342  .031
F2    .1344 .1303  .995
F3    .2770 .2449  .197
F4   -.0011 .2079  .803
F5    .4175 .1403  .389
F6    .1083 .1255  .617
F7    .2376 .1171  .456
F8    .2531     0  .760
F9    .1130     0  .303
F10   .4394     0  .681
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Al Ba3 F9
 
Renaudin J, Ferey G, de Kozak A, Samouel M
 
European Journal of Solid State and Inorganic Chemistry 28 (1991) 373-381
Crystal structure of a polytypic form of Ba3AlF9(form Ib)
_cod_database_code 1000329
_database_code_amcsd 0012542
10.063 5.567 14.88 90 90 90 Pnma
atom     x      y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba1  .4463    .25 .3995  .0112  .0153  .0109      0  .0000      0
Ba2  .3306    .25 .9577  .0115  .0112  .0125      0 -.0003      0
Ba3  .2343    .25 .6801  .0136  .0117  .0099      0 -.0022      0
Al1  .0236    .25 .3320  .0092  .0098  .0100      0  .0001      0
F1   .3660    .25 .2257  .0195  .0310  .0135      0  .0078      0
F2   .1728    .25 .4001  .0169  .0171  .0184      0 -.0067      0
F3   .1403    .25 .8490  .0188  .0400  .0141      0 -.0033      0
F4   .1489 -.0029 .0440  .0175  .0159  .0166  .0008  .0018  .0016
F5   .4563  .0187 .0934  .0154  .0130  .0157 -.0017 -.0028 -.0021
F6   .0837  .0204 .2601  .0253  .0271  .0323 -.0135  .0034  .0059
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Ba10 Cu12 F47 Fe
 
Renaudin J, Ferey G, de Kozak A, Samouel M, Gredin P
 
European Journal of Solid State and Inorganic Chemistry 30 (1993) 401-411
Complex copper(II) fluorides: XIV. The average crystal structure
ofBa10Cu12FeF47
_cod_database_code 1000323
_database_code_amcsd 0012571
15.447 11.638 11.809 90 109.92 90 C2/m
atom     x     y     z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba1  .1882 .2199 .2974      .0142  .0281  .0109 -.0010  .0039  .0002
Ba2  .3841 .2052 .0975      .0186  .0309  .0207  .0087 -.0016 -.0091
Ba3      0 .2184    .5      .0165  .0195  .0139      0  .0075      0
Cu1  .1130     0 .0547  .5  .0295  .0206  .0127      0  .0109      0
Fe1  .1130     0 .0547  .5  .0295  .0206  .0127      0  .0109      0
Cu2  .1912     0 .5432      .0150  .0159  .0096      0  .0000      0
Cu3  .0093     0 .7339      .0158  .0170  .0103      0  .0029      0
Cu4  .2335     0 .8382      .0160  .0171  .0137      0  .0035      0
Cu5  .3820     0 .4455  .5  .0119  .0185  .0158      0  .0038      0
Cu6  .6339     0 .6696  .5  .0146  .0175  .0132      0  .0054      0
Cu7  .5871     0 .3854  .5  .0182  .0171  .0099      0  .0063      0
Cu8  .5615     0 .1120  .5  .0186  .0193  .0134      0  .0067      0
Cu9  .4317     0 .7340  .5  .0123  .0247  .0158      0  .0017      0
F1   .0610     0 .4368      .0210  .0283  .0054      0 -.0038      0
F2   .1141     0 .2164      .0400  .0250  .0177      0  .0155      0
F3   .1067     0 .8913      .0319  .0738  .0109      0  .0046      0
F4   .1330     0 .6851      .0229  .0700   .013      0  .0034      0
F5   .3072     0 .6923      .0258   .044  .0219      0  .0048      0
F6   .2686     0 .4184      .0828  .0419  .0184      0  .0240      0
F7   .3414     0 .9797      .0481  .0199  .0288      0 -.0180      0
F8   .5672     0 .7790  .5
F9   .5672     0 .7790  .5
F10      0 .1096     0      .1710  .1169  .0701      0  .0878      0
F11      0    .5    .5      .0733  .0346  .0148      0 -.0263      0
F12  .1876 .1612 .5297      .0256  .0179  .0141 -.0030  .0038 -.0001
F13  .0016 .1627 .7309      .0308  .0200  .0212  -.007  .0086 -.0052
F14  .2367 .1611 .8461      .0371  .0264  .0386  .0070  .0239  .0119
F15  .1950 .1312 .0853      .0722  .0462  .0346 -.0301  .0253 -.0151
F16  .3679 .1527 .3290      .0231  .0455  .0334 -.0040  .0084 -.0138
F17  .4116 .1578 .6110  .5
F18  .5919 .8819 .4059  .5
F19  .4436 .1316 .8464  .5
F20  .5616 .8381 .1086  .5
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K2AlF5*(H2O)
 
de Kozak A, Gredin P, Pierrard A, Renaudin J
 
Journal of Fluorine Chemistry 77 (1996) 39-44
The crystal structure of a new form of the dipotassium
pentafluoroaluminate hydrate, K2AlF5*(H2O), and of its dehydrate, K2AlF5
_cod_database_code 1000478
_database_code_amcsd 0013025
6.133 7.475 6.142 90 97.17 90 P2_1/m
atom     x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K1   .0732   .25 .5011  .0331  .0210  .0220      0  .0011      0
K2   .5013   .25 .0734  .0211  .0212  .0339      0  .0012      0
Al1      0     0     0  .0124  .0083  .0134  .0003 -.0007  .0006
F1   .0013   .25 .0019  .0328  .0082  .0346      0 -.0014      0
F2   .8079 .9999 .1925  .0367  .0254  .0375  .0103  .0206  .0109
F3   .2191 .9998 .2190  .0340  .0214  .0330  .0010 -.0181  .0008
O1   .5358   .25 .5358  .0336  .0234  .0377      0 -.0086      0
H1   .4077 .6682 .4101
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K2AlF5
 
de Kozak A, Gredin P, Pierrard A, Renaudin J
 
Journal of Fluorine Chemistry 77 (1996) 39-44
The crystal structure of a new form of the dipotassium
pentafluoroaluminate hydrate, K2AlF5*(H2O), and of its dehydrate, K2AlF5
_cod_database_code 1000479
_database_code_amcsd 0013026
5.965 5.965 3.699 90 90 90 P4/mmm
atom    x    y  z
K1      0   .5 .5
Al1     0    0  0
F1      0    0 .5
F2   .219 .219  0
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Ba2 Cu F12 V2
 
Renaudin J, Laligant Y, Samouel M, de Kozak A, Ferey G
 
Journal of Solid State Chemistry 62 (1986) 158-163
Complex copper(II) fluorides III. Crystal structure of Ba2 Cu V2 F12; A
new bidimensional M X4 network
_cod_database_code 1000403
_database_code_amcsd 0013574
5.365 6.950 7.433 65.05 70.26 73.19 P-1
atom     x     y     z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba1  .7075 .7968 .7641      .0170  .0141  .0164 -.0087 -.0020 -.0024
V1      .5    .5    .5      .0096  .0084  .0113 -.0046 -.0028 -.0006
Cu1  .0522 .7753 .1679  .5  .0116  .0089  .0101 -.0043 -.0027  .0003
V2   .0522 .7753 .1679  .5  .0116  .0089  .0101 -.0043 -.0027  .0003
F1   .1730 .6542 .9626      .0289  .0197  .0170 -.0109 -.0052 -.0039
F2   .4649 .7813 .4946      .0222  .0091  .0213 -.0063 -.0088  .0002
F3   .1236 .4870 .6513      .0147  .0175  .0183 -.0061 -.0029 -.0013
F4   .0224 .0950 .6419      .0199  .0172  .0121 -.0081  .0001 -.0046
F5   .2517 .0363 .9542      .0162  .0404  .0248 -.0200 -.0079  .0038
F6   .6039 .3894 .7616      .0159  .0202  .0134 -.0069 -.0045  .0047
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BaAlF5
 
Le Bail A, Ferey G, Mercier A, de Kozak A, Samouel M
 
Journal of Solid State Chemistry 89 (1990) 282-291
Structure determination of beta- and gamma-BaAlF5 by X-ray and neutron
powder diffraction: a model for the alpha - beta - gamma transitions
_cod_database_code 1000129
_database_code_amcsd 0013688
13.7168 5.6054 4.9329 90 90 90 P2_12_12_1
atom      x     y     z
Ba   -.0943 .0905 .0197
Al    .8348 .5981 .4362
F1    .7260 .1454 .8142
F2    .5812 .2151 .1164
F3    .8959 .3334 .5496
F4   -.0792 .5997 .1563
F5    .7511 .4099 .2258
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BaAlF5
 
Le Bail A, Ferey G, Mercier A, de Kozak A, Samouel M
 
Journal of Solid State Chemistry 89 (1990) 282-291
Structure determination of beta- and gamma-BaAlF5 by X-ray and neutron
powder diffraction: a model for the alpha - beta - gamma transitions
_cod_database_code 1000130
_database_code_amcsd 0013689
5.1517 19.56659 7.5567 90 92.426 90 P2_1/n
atom     x     y     z
Ba1  .2820 .0389 .7400
Ba2  .2560 .2700 .4743
Al1  .2460 .8680 .5280
Al2  .7676 .8925 .8495
F1   .9456 .4002 .8494
F2   .7470 .4830 .6195
F3   .2134 .1983 .1826
F4   .5056 .1142 .0141
F5   .4438 .4037 .7870
F6   .2670 .4543 .0587
F7   .0584 .3489 .1469
F8   .5226 .3841 .4567
F9   .5420 .3446 .0892
F10  .2749 .7882 .6440
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BaAlF5
 
Le Bail A, Ferey G, Mercier A, de Kozak A, Samouel M
 
Journal of Solid State Chemistry 89 (1990) 282-291
Structure determination of beta- and gamma-BaAlF5 by X-ray and neutron
powder diffraction: a model for the alpha - beta - gamma transitions
_cod_database_code 1000131
_database_code_amcsd 0013690
5.2584 9.7298 7.3701 90 90.875 90 P2_1
atom     x     y     z
Ba1  .0105     0 .8864
Ba2  .4871 .3472 .6389
Al1  .0101 .6266 .5701
Al2  .5145 .7334 .8680
F1   .2518 .0464 .5324
F2   .2519 .2536 .9442
F3   .7654 .0361 .5553
F4   .2677 .7345 .0329
F5   .0387 .5110 .7553
F6   .5064 .9165 .8419
F7   .9916 .2619 .6009
F8   .4485 .0569 .1350
F9   .2832 .7286 .6782
F10  .7924 .7449 .7038
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Ba F7 Fe Mn
 
Lacorre P, Pannetier J, Pebler J, Nagel J, Babel D, de Kozak A, Samouel M, Ferey G
 
Journal of Solid State Chemistry 101 (1992) 296-308
Ordered magnetic frustration: XVII. Is Ba Mn Fe F7 frustrated?
Mossbauer spectrocopy, magnetic susceptibility, and magnetic structure at 2 K
_cod_database_code 1000498
_database_code_amcsd 0013757
5.5075 10.9584 9.1427 90 94.568 90 P2_1/c
atom     x     y     z
Ba1  .2280 .1685 .0425
Mn1  .8103 .0631 .3803
Fe1  .6926 .1205 .7665
F1    .404 .2823 .2853
F2   .4993 .0299 .2515
F3   .1445 .3996 .0107
F4   .9837 .4835 .2807
F5   .0972 .7378 .2144
F6   .3466 .6469 .9398
F7   .7159 .4053 .4754
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Na2MgInF7
 
Caramanian A, Souron J P, Gredin P, de Kozak A
 
Journal of Solid State Chemistry 159 (2001) 234-238
The crystal structure of the weberite Na2MgInF7
Locality: synthetic
_database_code_amcsd 0014004
10.435 7.345 7.553 90 90 90 Pnma
atom     x     y     z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na1      0     0     0 .036   .031   .022   .054   .007  -.005   .003
Na2  .2680   .25 .2372 .024   .035   .021   .018      0  -.008      0
Mg       0     0    .5 .006   .005   .004   .008   .001   .000  -.001
In   .2619   .25 .7495 .010   .011   .009   .012      0   .000      0
F1   .3574   .25 .5082 .019   .024   .021   .013      0   .002      0
F2   .1625   .25 .9834 .020   .021   .028   .012      0   .003      0
F3   .4706   .25 .0569 .027   .036   .009   .036      0   .015      0
F4   .3738 .0241 .8029 .021   .021   .020   .023   .007  -.008  -.003
F5   .3648 .9501 .1750 .022   .021   .015   .031  -.004   .013   .003
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Ba2Cu5F14
 
de Kozak A, Samouel M, Renaudin J, Ferey G
 
Revue de Chimie Minerale 23 (1986) 352-361
Fluorures complexes de cuivre II. V. Structure cristalline de alpha-Ba2Cu5F14
_cod_database_code 1000411
_database_code_amcsd 0015399
18.170 6.652 10.328 90 117.10 90 C2/c
atom     x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba1  .1641 .6148 .1300  .0159  .0043  .0164  .0003  .0104 -.0009
Cu1  .1749 .1180 .9914  .0135  .0046  .0140  .0015  .0117  .0008
Cu2  .0359 .1418 .1407  .0139  .0023  .0158  .0003  .0112  .0007
Cu3      0 .6456   .25  .0108  .0040  .0133      0  .0093      0
F1   .9675 .4289 .3567  .0288  .0086  .0255  .0015  .0198  .0001
F2   .8912 .3478 .6030  .0132  .0041  .0238 -.0064  .0079 -.0038
F3   .7762 .1435 .6356  .0229  .0049  .0176 -.0022  .0105 -.0018
F4   .9252 .1306 .1165  .0116  .0155  .0160  .0025  .0095  .0010
F5   .7505 .0822 .8970  .0159  .0055  .0222  .0009  .0108  .0008
F6   .9654 .1480 .8727  .0320  .0010  .0305  .0001  .0266  .0003
F7   .8590 .1564 .3570  .0145  .0269  .0230  .0026  .0196  .0019
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Ba2 F18 Zn7
 
Renaudin J, Ferey G, de Kozak A, Samouel M
 
Revue de Chimie Minerale 23 (1986) 497-507
Structure cristalline de Ba2 Zn7 F18
_cod_database_code 1000497
_database_code_amcsd 0015400
7.032 7.292 7.505 94.24 92.82 116.39 P-1
atom     x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba1  .3160 .6877 .6320  .0105  .0094  .0115  .0056 -.0015  .0004
Zn1      0     0    .5  .0107  .0075  .0091  .0061  .0012  .0020
Zn2  .1916 .8715 .1791  .0104  .0068  .0094  .0051 -.0008  .0012
Zn3  .8217 .6198 .8062  .0098  .0081  .0092  .0053  .0008  .0011
Zn4  .6104 .7331 .1240  .0103  .0081  .0095  .0055  .0007  .0018
F1   .4785 .5614 .3224  .0102  .0136  .0130  .0062  .0002  .0015
F2   .1085 .7713 .9241  .0098  .0128  .0118  .0012 -.0014 -.0020
F3   .7162 .9888 .5565  .0098  .0134  .0160  .0048  .0020  .0012
F4   .9187 .7177 .5721  .0217  .0098  .0102  .0081  .0077  .0053
F5   .9071 .8728 .2390  .0091  .0126  .0106  .0049  .0003 -.0025
F6   .7036 .8238 .8800  .0151  .0102  .0100  .0077  .0013  .0017
F7   .1027 .6046 .2848  .0196  .0108  .0152  .0097  .0006  .0030
F8   .4972 .9275 .1839  .0114  .0115  .0208  .0078  .0008 -.0011
F9   .6788 .4861 .0258  .0136  .0104  .0132  .0078 -.0010  .0032
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F24 Fe3 Pb8
 
Pierrard A, de Kozak A, Gredin P, Renaudin J
 
Zeitschrift fur Anorganische und Allgemeine Chemie 621 (1995) 1053-1057
The crystal structure of Pb8 Fe(II) Fe(III)2 F24: an ordered fluorite-
like compound
_cod_database_code 1000376
_database_code_amcsd 0015813
20.118 5.597 9.440 89.75 105.79 89.38 C-1
atom     x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb1  .7252 .0088 .6407  .0092  .0144  .0131  .0000  .0039  .0010
Pb2  .6303 .0113 .1704  .0089  .0145  .0098  .0001  .0033  .0000
Pb3  .8218 .0003 .1033  .0099  .0127  .0131  .0019  .0048  .0013
Pb4  .0865 .0029 .4373  .0070  .0126  .0095  .0006  .0018  .0005
Fe1      0     0     0  .0007  .0077  .0073  .0019  .0004  .0007
Fe2  .5476 .0022 .7522  .0081  .0070  .0082  .0034  .0027 -.0013
F1   .7251 .2494 .1265  .0101  .0165  .0176  .0019  .0079 -.0086
F2   .1772 .2451 .3918  .0101  .0184  .0177  .0104  .0052  .0093
F3   .6830 .2391  .384  .0072  .0214  .0025  .0021 -.0019  .0001
F4   .6425 .0602 .8591  .0093  .0322  .0269 -.0107 -.0075  .0027
F5   .9565 .2121 .3647  .0326  .0146  .0297  .0045  .0188  .0086
F6   .8199 .0590 .3586  .0130  .0504  .0132  .0123  .0047 -.0072
F7   .4475 .2761 .1183  .0388  .0185  .0259 -.0003  .0231  .0004
F8   .9815 .3093 .1068  .0665  .0202  .0277  .0070  .0339  .0015
F9   .4140 .1847 .3743  .0555  .0112  .0199  -.004  .0159  .0009
F10  .5481 .0545 .3369  .0048  .0373  .0222   .003  .0001  .0005
F11  .9116 .0353 .8594  .0249  .0365  .0211 -.0065 -.0006  .0026
F12  .2286 .2554 .1320  .0112  .0215  .0095 -.0064  .0033 -.0005
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F34 Fe7 Pb7
 
Pierrard A, de Kozak A, Gredin P, Renaudin J
 
Zeitschrift fur Anorganische und Allgemeine Chemie 622 (1996) 1200-1204
The crystal structure of Pb7 Fe(II) Fe(III)6 F34: a new jarlite-type compound
_cod_database_code 1000424
_database_code_amcsd 0015814
16.375 11.233 7.615 90 102.67 90 C2/m
atom     x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb1      0     0     0  .0163  .0214  .0115      0  .0030      0
Pb2  .2585     0 .1012  .0199  .0163  .0159      0  .0017      0
Pb3  .1463 .3089 .2955  .0179  .0158  .0114  .0004  .0032 -.0007
Fe1      0    .5    .5  .0133  .0034  .0005      0  .0035      0
Fe2  .1640     0 .5346  .0186  .0068  .0060      0  .0036      0
Fe3  .1072 .2451 .8002  .0147  .0066  .0073 -.0012  .0034  .0031
F1   .3669 .6248 .0088  .0304  .0100  .0182  .0027  .0015 -.0157
F2   .3754 .1318 .0192  .0287  .0105  .0076 -.0038  .0080 -.0022
F3   .2757 .2395 .1962  .0133  .0351  .0161 -.0116  .0030 -.0021
F4   .0058 .2198 .1951  .0165  .0339  .0191  .0017  .0010  .0044
F5   .4174 .1351 .3839  .0338  .0225  .0242  .0042  .0073  .0091
F6   .4017 .3803 .3829  .0322  .0288  .0421  .0046  .0035 -.0321
F7   .2315 .1221 .4593  .0368  .0431  .0113 -.0189  .0105  .0073
F8   .7533     0 .2333  .0302  .0301  .0054      0 -.0037      0
F9   .0990     0 .2985  .0549  .0480  .0000      0 -.0028      0
F10  .5718     0 .3176  .0352  .0192  .0177      0  .0102      0
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Total number of retrieved datasets: 16
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