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H10 Hf K4 O21 |
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Tranqui D, Boyer P, Laugier J, Vulliet P |
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Acta Crystallographica B33 (1977) 3126-3133 |
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Structure cristalline du tetrakisoxalatohafniate de potassium |
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pentahydrate K4 Hf (C2 O4)4 (H2 O)5 |
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_cod_database_code 1008018 |
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_database_code_amcsd 0015966 |
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10.640 12.350 15.940 90 94.27 90 P2_1/c |
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atom x y z |
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Hf1 .76273 .34876 .17271 |
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K1 .12726 .34486 .24721 |
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K2 .01702 .22821 .51150 |
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K3 .50892 .06103 .30899 |
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K4 .39160 .32650 .40996 |
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O1 .63788 .38921 .27242 |
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O2 .87488 .35036 .29234 |
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O3 .88647 .39037 .42764 |
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O4 .62873 .43314 .40704 |
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O5 .56678 .36980 .11623 |
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O6 .76234 .31897 .03836 |
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O7 .65421 .31489 -.08427 |
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O8 .44291 .3774 -.00339 |
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O9 .93910 .42186 .13714 |
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O10 .74013 .52285 .16299 |
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O11 .82155 .68276 .13010 |
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O12 .03915 .56884 .09761 |
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O13 .90743 .22115 .16452 |
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O14 .67786 .1920 .19308 |
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O15 .70332 .01329 .20501 |
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O16 .95776 .04939 .18800 |
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C1 .68637 .40347 .34949 |
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C2 .82980 .37886 .36056 |
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C3 .54439 .36146 .03653 |
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C4 .65975 .32883 -.01118 |
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C5 .94762 .52157 .12290 |
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C6 .82844 .58467 .14013 |
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C7 .88430 .12425 .18171 |
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C8 .74065 .10400 .19579 |
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O17 .17197 .42795 .46924 |
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O18 .18617 .15217 .14905 |
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O19 .22442 .40628 .08490 |
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O20 .39409 .25709 .24569 |
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O21 .45955 .13587 .07610 |
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D3.054 Mn2 Zr |
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Pontonnier L, Miraglia S, Fruchart D, Soubeyroux J, Baudry A, Boyer P |
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Journal of Alloys and Compounds 186 (1992) 241-248 |
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Structural study of hyperstoichiometric alloys ZrMn2+x and their hydrides |
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_cod_database_code 1008563 |
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_database_code_amcsd 0016454 |
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5.4055 5.4055 8.7964 90 90 120 P6_3/mmc |
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atom x y z occ |
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Zr1 1/3 2/3 .0629 |
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Mn1 0 0 0 |
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Mn2 .8366 .6732 .25 |
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D1 .0398 .3249 .5647 .211 |
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D2 .4594 .9188 .6261 .372 |
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D3 .466 .932 .25 .369 |
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D4 .2021 .4042 .25 .079 |
|
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| Download AMC data (View Text File)
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|
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D2.332 Mn2.15 Zr0.85 |
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Pontonnier L, Miraglia S, Fruchart D, Soubeyroux J, Baudry A, Boyer P |
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Journal of Alloys and Compounds 186 (1992) 241-248 |
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Structural study of hyperstoichiometric alloys ZrMn2+x and their hydrides |
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_cod_database_code 1008564 |
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_database_code_amcsd 0016455 |
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5.3889 5.3889 8.7660 90 90 120 P6_3/mmc |
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atom x y z occ |
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Zr1 1/3 2/3 .0637 .85 |
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Mn1 1/3 2/3 .0637 .15 |
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Mn2 0 0 0 |
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Mn3 .8369 .6738 .25 |
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D1 .0506 .3477 .5662 .164 |
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D2 .4524 .9048 .6352 .278 |
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D3 .4540 .9080 .25 .298 |
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D4 .22 .44 .25 .045 |
|
|
| Download AMC data (View Text File)
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|
| |
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D2.83 Mn2 Zr |
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Pontonnier L, Miraglia S, Fruchart D, Soubeyroux J, Baudry A, Boyer P |
| |
Journal of Alloys and Compounds 186 (1992) 241-248 |
|
Structural study of hyperstoichiometric alloys ZrMn2+x and their hydrides |
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_cod_database_code 1008565 |
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_database_code_amcsd 0016456 |
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5.3889 5.3889 8.7660 90 90 120 P6_3/mmc |
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atom x y z occ |
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Zr1 1/3 2/3 .0642 |
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Mn1 0 0 0 |
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Mn2 .839 .678 .25 |
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D1 .0433 .3255 .5169 .191 |
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D2 .4633 .9266 .6263 .353 |
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D3 .4676 .9352 .25 .356 |
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D4 .22 .44 .25 .061 |
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| Download AMC data (View Text File)
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|
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D2.113 Mn2.227 Zr0.772 |
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Pontonnier L, Miraglia S, Fruchart D, Soubeyroux J, Baudry A, Boyer P |
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Journal of Alloys and Compounds 186 (1992) 241-248 |
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Structural study of hyperstoichiometric alloys ZrMn2+x and their hydrides |
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_cod_database_code 1008566 |
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_database_code_amcsd 0016457 |
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5.3493 5.3493 8.6995 90 90 120 P6_3/mmc |
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atom x y z occ |
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Zr1 1/3 2/3 .0632 .772 |
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Mn1 1/3 2/3 .0632 .227 |
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Mn2 0 0 0 |
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Mn3 .8302 .6604 .25 |
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D1 .0397 .3219 .5706 .146 |
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D2 .4478 .8956 .6254 .247 |
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D3 .4800 .9600 .25 .286 |
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D4 .262 .524 .25 .045 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
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D2.23 Ni Zr2 |
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Chikdene A, Baudry A, Boyer P, Miraglia S, Fruchart D, Soubeyroux J |
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Zeitschrift fur Physikalische Chemie 163 (1989) 219-224 |
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Neutron diffraction studies of Zr2NiH(D)x hydrides |
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_cod_database_code 1008445 |
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_database_code_amcsd 0016350 |
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6.6573 6.6573 5.3862 90 90 90 I4/mcm |
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atom x y z occ |
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Ni1 0 0 .25 |
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Zr1 .1675 .6675 0 |
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D1 0 .5 -.24 .006 |
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D2 .3750 .8750 -.1163 .520 |
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D3 .218 .924 -.193 .017 |
|
|
| Download AMC data (View Text File)
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|
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D3.78 Ni Zr2 |
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Chikdene A, Baudry A, Boyer P, Miraglia S, Fruchart D, Soubeyroux J |
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Zeitschrift fur Physikalische Chemie 163 (1989) 219-224 |
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Neutron diffraction studies of Zr2NiH(D)x hydrides |
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_cod_database_code 1008446 |
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_database_code_amcsd 0016351 |
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6.7357 6.7357 5.4752 90 90 90 I4/mcm |
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atom x y z occ |
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Ni1 0 0 .25 |
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Zr1 .1653 .6653 0 |
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D1 0 .5 -.251 .056 |
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D2 .3735 .8735 -.1148 .496 |
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D3 .218 .924 -.193 .21 |
|
|
| Download AMC data (View Text File)
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|
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D7.16 Ni Zr2 |
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Chikdene A, Baudry A, Boyer P, Miraglia S, Fruchart D, Soubeyroux J |
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Zeitschrift fur Physikalische Chemie 163 (1989) 219-224 |
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Neutron diffraction studies of Zr2NiH(D)x hydrides |
|
_cod_database_code 1008447 |
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_database_code_amcsd 0016352 |
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6.8280 6.8280 5.6862 90 90 90 I4/mcm |
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atom x y z occ |
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Ni1 0 0 .25 |
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Zr1 .1639 .6639 0 |
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D1 0 .5 -.236 .099 |
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D2 .3717 .8717 -.1252 .384 |
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D3 .2130 .9170 -.1873 .655 |
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D4 .102 .001 0 .047 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
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