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BaCuInF7 |
| |
de Kozak A, Samouel M, Renaudin J, Ferey G |
| |
Zeitschrift fur Kristallographie 189 (1989) 77-87 |
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Structure of BaCuInF7: The interpretation beween a pyrochlor-like |
|
edge-sharing network of octahedra and a defect fluorite structure |
|
_cod_database_code 1000485 |
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_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 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Ba7CuFe6F34 |
| |
Renaudin J, Ferey G, Drillon M, De Kozak A, Samouel M |
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Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 308 (1989) 1217-1222 |
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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 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Ba3AlF9 |
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Renaudin A, Ferey G, Kozak A, Samouel M |
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European Journal of Solid State and Inorganic Chemistry 27 (1990) 571-580 |
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Polymorphic Ba3AlF9 : crystal structure of form I |
|
_cod_database_code 1000288 |
|
_database_code_amcsd 0012532 |
|
19.706 5.599 15.173 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 .1079 .25 .1904 .0136 .0205 .0076 0 -.0012 0 |
|
Ba2 .2426 .25 .7881 .0125 .0135 .0068 0 .0008 0 |
|
Ba3 .3221 .25 .5061 .0127 .0209 .0108 0 .0039 0 |
|
Ba4 .0310 .25 .9075 .0137 .0153 .0074 0 .000 0 |
|
Ba5 .3162 .25 .0729 .0124 .0123 .0077 0 -.0005 0 |
|
Ba6 .9967 .25 .6233 .0141 .0145 .0055 0 -.0018 0 |
|
Al1 .1189 .25 .4292 .0068 .0165 .0088 0 -.0007 0 |
|
Al2 .3876 .25 .2787 .0178 .0146 .0079 0 -.0040 0 |
|
F1 .4726 .25 .3193 |
|
F2 .3004 .25 .2531 |
|
F3 .1886 .25 .5061 |
|
F4 .0460 .25 .3563 |
|
F5 .2246 .25 .9606 |
|
F6 .4433 .25 .7237 |
|
F7 .2137 .9947 .1441 |
|
F8 .0737 .0017 .0458 |
|
F9 .3664 .0263 .3567 |
|
F10 .0789 .0226 .4936 |
|
F11 .1568 .0222 .3593 |
|
F12 .4025 .0264 .1964 |
|
|
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|
| |
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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 |
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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 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Ba10 Cu12 F47 Fe |
| |
Renaudin J, Ferey G, de Kozak A, Samouel M, Gredin P |
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European Journal of Solid State and Inorganic Chemistry 30 (1993) 401-411 |
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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 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Ba F9 Fe2 Na |
| |
Ferey G, Leblanc M, Kozak A, Samouel M, Pannetier J |
| |
Journal of Solid State Chemistry 56 (1985) 288-297 |
|
Crystal structures of Na Ba Cr2 F9 and Na Ba Fe2 F9 Structural |
|
correlations with other enneafluorides, particularly with KPbCr2F9 |
|
_cod_database_code 1000205 |
|
_database_code_amcsd 0013535 |
|
7.363 17.527 5.484 90 91.50 90 P2_1/n |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Na1 .3102 .0408 .7490 .0116 .0161 .0165 -.0028 -.0089 -.0061 |
|
Ba1 .0679 .2851 .7260 .0093 .0048 .0135 -.0008 -.0019 -.0008 |
|
Fe1 .4080 .6238 .2238 .0071 .0022 .0077 -.0002 -.0035 .0008 |
|
Fe2 .2702 .4185 .2629 .0069 .0030 .0093 .0000 -.0013 .0000 |
|
F1 .1339 .4181 -.0303 .0235 .0177 .0128 -.0024 -.0122 -.0055 |
|
F2 .0022 .9223 .4173 .0124 .0054 .0153 .0007 .0037 .0013 |
|
F3 .2843 .3115 .2928 .0223 .0058 .0282 -.0023 .0072 .0017 |
|
F4 .4390 .9176 .0470 .0143 .0166 .0157 -.0003 .0051 -.0028 |
|
F5 .2754 .1643 .4867 .0136 .0123 .0150 -.0029 -.0032 .0003 |
|
F6 .2040 .1640 .0023 .0231 .0091 .0091 .0010 .0029 .0058 |
|
F7 .2376 .0307 .2449 .0083 .0025 .0210 .0006 .0013 -.0018 |
|
F8 .4352 .2912 .8169 .0168 .0110 .0190 -.0026 -.0055 .0038 |
|
F9 .4063 .4303 .5796 .0141 .0106 .0100 -.0018 -.0055 .0014 |
|
|
| Download AMC data (View Text File)
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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 |
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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 |
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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 |
|
|
| Download AMC data (View Text File)
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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 |
|
|
| Download AMC data (View Text File)
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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 |
|
|
| Download AMC data (View Text File)
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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 |
|
|
| Download AMC data (View Text File)
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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 |
|
|
| Download AMC data (View Text File)
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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 |
|
|
| Download AMC data (View Text File)
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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 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Ba2 F18 Ni7 |
| |
Renaudin J, Ferey G, Kozak A, Samouel M, Lacorre P |
| |
Solid State Communications 65 (1988) 185-188 |
|
Crystal and magnetic structures of the ferrimagnet Ba2 Ni7 F18 |
|
_cod_database_code 1000248 |
|
_database_code_amcsd 0015454 |
|
6.937 7.229 7.456 94.37 93.16 115.86 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 .3137 .6918 .6343 .0077 .0089 .0101 .0009 -.0002 .0032 |
|
Ni1 0 0 .5 .0067 .0064 .0069 .0015 .0014 .0028 |
|
Ni2 .1908 .8770 .1823 .0064 .0058 .0074 .0012 .0006 .0022 |
|
Ni3 .8189 .6151 .8041 .0066 .0063 .0072 .0010 .0013 .0025 |
|
Ni4 .6066 .7233 .1185 .0060 .0069 .0072 .0015 .0011 .0025 |
|
F1 .4804 .5612 .3224 .0089 .0110 .0106 .0043 .0009 .0027 |
|
F2 .1067 .7699 .9272 .0115 .0139 .0085 -.0036 -.0013 .0038 |
|
F3 .7168 .9907 .5574 .0086 .0113 .0087 .0007 .0002 .0031 |
|
F4 .9203 .7181 .5724 .0174 .0125 .0105 .0049 .0045 .0081 |
|
F5 .9034 .8728 .2401 .0088 .0158 .0089 -.0008 -.0012 .0063 |
|
F6 .7059 .8252 .8792 .0109 .0078 .0107 .0032 .0036 .0055 |
|
F7 .1007 .6058 .2809 .0132 .0053 .0124 .0010 .0022 .0030 |
|
F8 .4956 .9275 .1807 .0082 .0117 .0149 -.0005 .0017 .0053 |
|
F9 .6798 .4867 .0261 .0087 .0084 .0087 .0017 .0012 .0033 |
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Ba2 F18 Ni7 |
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Renaudin J, Ferey G, Kozak A, Samouel M, Lacorre P |
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Solid State Communications 65 (1988) 185-188 |
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Crystal and magnetic structures of the ferrimagnet Ba2 Ni7 F18 |
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_cod_database_code 1000249 |
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_database_code_amcsd 0015455 |
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6.924 7.218 7.437 94.39 93.20 115.82 P-1 |
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atom x y z |
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Ba1 .315 .697 .624 |
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Ni1 0 0 .5 |
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Ni2 .199 .884 .186 |
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Ni3 .823 .618 .799 |
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Ni4 .676 .718 .115 |
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F1 .480 .565 .324 |
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F2 .110 .762 .934 |
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F3 .721 .986 .561 |
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F4 .916 .712 .576 |
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F5 .907 .878 .244 |
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F6 .691 .811 .873 |
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F7 .078 .606 .270 |
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F8 .513 .924 .181 |
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F9 .692 .497 .012 |
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| Download AMC data (View Text File)
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