|
MnFeF5(H2O)2 |
| |
Laligant Y, Pannetier J, Leblanc M, Labbe P, Heger G, Ferey G |
| |
Zeitschrift fur Kristallographie 181 (1987) 1-10 |
|
Crystal structure refinement of the inverse weberite MnFeF5(H2O)2 |
|
_cod_database_code 1000227 |
|
_database_code_amcsd 0010976 |
|
7.5635 10.901 6.7319 90 90 90 Imma |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mn1 0 0 0 .0105 .0115 .0152 0 0 -.0033 |
|
Fe1 .25 .25 .25 .0073 .0075 .0113 0 -.0008 0 |
|
F1 .2924 .1252 .4444 .0167 .0175 .0229 .0043 .0021 .0088 |
|
F2 0 .25 .3237 .0076 .0210 .0215 0 0 0 |
|
O1 .5 .5711 .2000 .0220 .0443 .0177 0 0 .0075 |
|
H1 .080 .096 .650 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Y2BaPdO5 |
| |
Laligant Y, Ferey G, Hervieu M, Raveau B |
| |
European Journal of Solid State and Inorganic Chemistry 25 (1988) 111-117 |
|
Crystal structure of palladate Y2BaPdO5 with square planar |
|
coordinated Pd^2+^ |
|
_cod_database_code 1000242 |
|
_database_code_amcsd 0012517 |
|
6.523 6.523 5.831 90 90 90 P4/mbm |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ba1 0 0 0 .0061 .0061 .0079 0 0 0 |
|
Pd1 .5 0 0 .0057 .0057 .0048 .0008 0 0 |
|
Y1 .1737 .3263 .5 .0046 .0046 .0058 .0009 0 0 |
|
O1 .3588 .1412 .2562 .0133 .0133 .0127 .0039 .0097 .0097 |
|
O2 0 0 .5 .0080 .0080 .0169 0 0 0 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Ba2PdO3 |
| |
Laligant Y, Le Bail A, Ferey G, Hervieu M, Raveau B, Wilkinson A, Cheetham A |
| |
European Journal of Solid State and Inorganic Chemistry 25 (1988) 237-246 |
|
Synthesis and ab-initio structure determination from X-ray powder data |
|
of Ba2PdO3 with sevenfold coordinated Ba. |
|
Structural correlations with K2NiF4 and Ba2NiF6 |
|
_cod_database_code 1000071 |
|
_database_code_amcsd 0012519 |
|
13.335 4.080 3.8362 90 90 90 Immm |
|
atom x y z |
|
Ba .3539 0 0 |
|
Pd 0 0 0 |
|
O1 0 .5 0 |
|
O2 .1519 0 0 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Na2 O7 P2 Pd |
| |
Laligant Y |
| |
European Journal of Solid State and Inorganic Chemistry 29 (1992) 83-94 |
|
Structure determination of Na2PdP2O7 from X-ray powder diffraction |
|
_cod_database_code 1000337 |
|
_database_code_amcsd 0012547 |
|
14.693 5.8551 7.922 90 114.11 90 C2/c |
|
atom x y z |
|
Pd1 0 0 0 |
|
P1 .1058 .3456 .8418 |
|
Na1 .2265 .8651 .8012 |
|
O1 .8124 .5168 .6029 |
|
O2 0 .4801 .75 |
|
O3 .8877 .1800 .8067 |
|
O4 .6066 .2821 .5177 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Li2 O7 P2 Pd |
| |
Laligant Y |
| |
European Journal of Solid State and Inorganic Chemistry 29 (1992) 239-247 |
|
Crystal structure of Li2PdP2O7 solved from X-ray powder |
|
diffraction |
|
_cod_database_code 1000333 |
|
_database_code_amcsd 0012551 |
|
12.5858 7.4955 5.8116 90 90 90 Imma |
|
atom x y z |
|
Pd1 0 0 0 |
|
P1 .1136 .25 .3587 |
|
Li1 .25 0 0 |
|
O1 0 .25 .5008 |
|
O2 .3017 .25 .9515 |
|
O3 .1162 .0785 .2104 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Mottramite |
 |
Permer L, Laligant Y, Ferey G |
| |
European Journal of Solid State and Inorganic Chemistry 30 (1993) 383-392 |
|
Crystal structure of (Pb2.8Fe1.2)Cu4O1.6(VO4)4(OH)2; |
|
structural relationships with mineral gamagarite |
|
_cod_database_code 1000426 |
|
_database_code_amcsd 0012569 |
|
7.525 5.900 9.640 90 90 90 Pnma |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Fe .3767 .25 .1788 .280 .0094 .0158 .0114 0 .0004 0 |
|
Pb .3767 .25 .1788 .720 .0094 .0158 .0114 0 .0004 0 |
|
V .8613 .25 .6710 .008 .009 .014 0 -.007 0 |
|
Cu 0 0 0 .012 .007 .015 .0007 .003 -.0006 |
|
O1 .176 .25 .948 .018 .006 .031 0 -.003 0 |
|
O2 .540 .25 -.071 .015 .024 .019 0 -.007 0 |
|
O3 .369 .488 .729 .022 .013 .022 -.003 .011 -.011 |
|
O4 .856 .25 .066 .900 .015 .010 .018 0 .005 0 |
|
H .74 .25 0 .5 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Pd(NH3)4(CrO4) |
| |
Laligant Y |
| |
European Journal of Solid State and Inorganic Chemistry 30 (1993) 681-688 |
|
On the first palladium chromate: crystal structure of Pd(NH3)4(CrO4) |
|
_cod_database_code 1000344 |
|
_database_code_amcsd 0012584 |
|
7.3177 7.3177 15.289 90 90 90 *I4_1/amd |
|
0 -.25 .125 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Pd1 0 .25 .375 .0144 .0144 .0224 0 0 0 |
|
Cr1 0 .75 .125 .0183 .0183 .0231 0 0 0 |
|
O1 0 .4346 .8135 .0635 .0278 .0378 0 0 .0069 |
|
N1 0 .4713 .6268 .0330 .0170 .0432 0 0 .0013 |
|
H1 0 .435 .694 |
|
H2 .126 .419 .595 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Fe4V2Mo3O20 |
| |
Laligant Y, Permer L, Le Bail A |
| |
European Journal of Solid State and Inorganic Chemistry 32 (1995) 325-334 |
|
Crystal structure of Fe4V2Mo3O20 determined from conventional X-ray |
|
powder diffraction data |
|
_cod_database_code 1000123 |
|
_database_code_amcsd 0012595 |
|
9.5390 9.5390 17.1411 90 90 90 P4_122 |
|
atom x y z occ |
|
Mo1 .4010 .2627 .0941 .86 |
|
V1 .4010 .2627 .0941 .14 |
|
Mo2 0 .8386 0 .86 |
|
V2 0 .8386 0 .14 |
|
Mo3 .5 .8327 0 .22 |
|
V3 .5 .8327 0 .78 |
|
Mo4 0 .3342 0 .22 |
|
V4 0 .3342 0 .78 |
|
Fe1 .2485 .5918 .0601 |
|
Fe2 .7462 .0930 .0612 |
|
O1 .282 .152 .0534 |
|
O2 .575 .222 .0745 |
|
O3 .389 .443 .0640 |
|
O4 .405 .248 .4268 |
|
O5 .906 .745 .4255 |
|
O6 .041 .110 .1969 |
|
O7 .111 .571 .4535 |
|
O8 .244 .640 .9443 |
|
O9 .617 .059 .4542 |
|
O10 .272 .913 .1861 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Ba3 F9 O Ta |
| |
Crosnier-Lopez M, Duroy H, Fourquet J, Laligant Y |
| |
European Journal of Solid State and Inorganic Chemistry 32 (1995) 457-468 |
|
Synthesis and crystal structure of Ba3 Ta O F9 |
|
_cod_database_code 1000393 |
|
_database_code_amcsd 0012597 |
|
5.9422 26.39499 5.9590 90 90 90 Cmcm |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ta1 0 .16318 .25 .0291 .0261 .0229 0 0 0 |
|
Ba1 0 .31269 .25 .0535 .0179 .0561 0 0 0 |
|
Ba2 0 .55842 .25 .0182 .0185 .0239 0 0 0 |
|
Ba3 0 .94031 .25 .0245 .0221 .0165 0 0 0 |
|
O1 .246 0 0 .5 .0165 .0376 .0152 0 0 .0015 |
|
F1 .246 0 0 .5 .0165 .0376 .0152 0 0 0 |
|
F2 0 .0867 .25 .0951 .0323 .0793 0 0 0 |
|
F3 .228 .1390 .0232 .1300 .1286 .1078 -.0202 .0926 -.0142 |
|
F4 0 .4110 .25 .1557 .0266 .2365 0 0 0 |
|
F5 .151 .2187 .0961 .5 .1309 .0307 .1169 -.0136 .0752 .0063 |
|
|
| Download AMC data (View Text File)
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|
| |
|
FeVMoO7 |
| |
Le Bail A, Permer L, Laligant Y |
| |
European Journal of Solid State and Inorganic Chemistry 32 (1995) 883-892 |
|
Structure of FeVMoO7 |
|
_cod_database_code 1000124 |
|
_database_code_amcsd 0012599 |
|
5.5703 6.6741 7.9032 96.174 90.260 101.273 P-1 |
|
atom x y z occ |
|
Fe .1702 .6903 .5978 |
|
V1 .6865 .7588 .3341 .94 |
|
Mo1 .6865 .7588 .3341 .06 |
|
Mo2 .2999 .2103 .1082 .94 |
|
V2 .2999 .2103 .1082 .06 |
|
O1 .896 .638 .424 |
|
O2 .212 .005 .608 |
|
O3 .769 .040 .9057 |
|
O4 .670 .719 .097 |
|
O5 .414 .693 .410 |
|
O6 .437 .703 .764 |
|
O7 .928 .692 .796 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Fe2 O13 V4 |
| |
Permer L, Laligant Y |
| |
European Journal of Solid State and Inorganic Chemistry 34 (1997) 41-52 |
|
Crystal structure of the tetrapolyvanadate Fe2 V4 O13 |
|
_cod_database_code 1000431 |
|
_database_code_amcsd 0012606 |
|
8.3125 9.4055 14.5768 90 102.231 90 P2_1/c |
|
atom x y z |
|
Fe1 .9534 .0042 .2723 |
|
Fe2 .569 .0061 .2526 |
|
V1 .5145 .2560 -.0673 |
|
V2 .1292 .2395 -.0747 |
|
V3 .7119 .2788 .1600 |
|
V4 .2143 .1871 .1518 |
|
O1 .1209 .1905 .0467 |
|
O2 .3303 .3088 -.0336 |
|
O3 .6490 .2397 .0335 |
|
O4 .7487 .1319 .2196 |
|
O5 .7906 .8791 .3125 |
|
O6 .6024 .1147 .3884 |
|
O7 .5076 .8951 .1404 |
|
O8 .1003 .8497 .3368 |
|
O9 .9025 .8872 .1453 |
|
O10 .4058 .1728 .1776 |
|
O11 .0061 .1109 .3966 |
|
O12 .3911 .8858 .2978 |
|
O13 .116 .1151 .2336 |
|
|
| Download AMC data (View Text File)
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|
| |
|
F2 Fe O4 P Sr |
| |
Le Meins J, Hemon-Ribaud A, Laligant Y, Courbion G |
| |
European Journal of Solid State and Inorganic Chemistry 34 (1997) 391-404 |
|
A new fluorophosphate with a laueite-type structural unit: synthesis, |
|
TEM study and crystal structure of Sr Fe P O4 F2 |
|
_cod_database_code 1000430 |
|
_database_code_amcsd 0012609 |
|
5.207 12.216 7.037 90 103.00 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) |
|
Sr1 .4595 .2040 .3105 .018 .010 .011 -.004 -.002 .002 |
|
Fe1 0 0 .5 .010 .007 .005 .000 .001 -.001 |
|
Fe2 0 0 0 .009 .006 .006 .000 .001 .000 |
|
P1 .4350 .1155 .8051 .008 .007 .006 .000 .002 .000 |
|
O1 .4262 .2204 .6898 .018 .009 .012 .001 .005 .006 |
|
O2 .3560 .0157 .6701 .011 .010 .010 -.001 .001 -.004 |
|
O3 .2370 .1224 -.0575 .010 .008 .009 -.001 .004 -.001 |
|
O4 .2886 .8987 .0633 .008 .011 .013 .001 -.002 -.003 |
|
F1 .3840 .3549 .0517 .015 .008 .011 -.001 .001 .001 |
|
F2 .1082 .0586 .2710 .014 .012 .006 -.004 .002 .000 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Na2Ca(HPO4)2 |
| |
Ben Chaabane T, Smiri-Dogguy L, Laligant Y, Le Bail A |
| |
European Journal of Solid State and Inorganic Chemistry 34 (1997) 937-946 |
|
Structure of Na2Ca(HPO4)2 determined ab initio from conventional |
|
powder diffraction data |
|
_cod_database_code 1000140 |
|
_database_code_amcsd 0012610 |
|
9.0652 7.1468 5.4700 90 98.782 90 P2_1 |
|
atom x y z |
|
Ca .2331 0 .1970 |
|
P1 .4255 .2119 .7576 |
|
P2 .0361 .8537 .6901 |
|
Na1 .2427 .4920 .0549 |
|
Na2 .3843 .7346 .6796 |
|
O1 .0675 .8528 .4233 |
|
O2 .4020 .1980 .0288 |
|
O3 .3351 .3938 .6535 |
|
O4 .3681 .0526 .6042 |
|
O5 .5916 .2535 .7543 |
|
O6 .1564 .7448 .8638 |
|
O7 .8763 .7932 .6990 |
|
O8 .9526 .560 .1898 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
CaBa2(HPO4)2(H2PO4)2 |
| |
Toumi M, Chabchoub S, Smiri-Dogguy L, Laligant Y |
| |
European Journal of Solid State and Inorganic Chemistry 34 (1997) 1249-1257 |
|
Ab-initio powder structure determination of CaBa2(HPO4)2(H2PO4)2: |
|
a new phosphate with a M(T$-Phi4)4 chain structure |
|
_cod_database_code 1000440 |
|
_database_code_amcsd 0012618 |
|
12.3872 10.2046 5.4946 90 100.767 90 P2_1/a |
|
atom x y z |
|
Ba1 .3236 .1559 .1422 |
|
Ca1 .5 .5 0 |
|
P1 .0508 .3063 .7581 |
|
P2 .2019 -.0082 .5832 |
|
O1 .1753 .3103 .8156 |
|
O2 .0243 .2616 .4822 |
|
O3 .2180 .8383 .5066 |
|
O4 .0061 .4604 .7289 |
|
O5 .314 .0669 .6233 |
|
O6 .1239 .0516 .3452 |
|
O7 .0034 .2353 -.0497 |
|
O8 .1543 -.0089 .8178 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Li6P6O18 |
| |
Ben-Chaabane T, Smiri-Dogguy L, Laligant Y, Le Bail A |
| |
European Journal of Solid State and Inorganic Chemistry 35 (1998) 255-264 |
|
Li6P6O18: X-ray powder structure determination of lithium |
|
cyclohexaphosphate |
|
_cod_database_code 1000148 |
|
_database_code_amcsd 0012621 |
|
7.9911 17.03189 5.3208 90 99.433 90 P2_1/n |
|
atom x y z |
|
Li1 .438 .347 .254 |
|
Li2 .366 .517 .286 |
|
Li3 .257 .683 .302 |
|
P1 .5948 .1919 -.0116 |
|
P2 .7824 .0653 .2802 |
|
P3 .8128 .4011 .2012 |
|
O1 .3553 .4331 .049 |
|
O2 .8016 .8708 .120 |
|
O3 .2467 .6054 .075 |
|
O4 .8487 .4917 .271 |
|
O5 .6464 .1356 .220 |
|
O6 .4697 .2442 .075 |
|
O7 .8946 .0603 .088 |
|
O8 .2546 .7804 .120 |
|
O9 .9961 .3686 .275 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
H6 Li6 O21 P6 |
| |
Toumi M, Hlel F, Ben Chaabane T, Smiri L, Laligant Y, Emery J |
| |
European Journal of Solid State and Inorganic Chemistry 45 (1998) 689-697 |
|
X-ray powder structure determination of Li6 P6 O18 . 3(H2 O) |
|
_cod_database_code 1000489 |
|
_database_code_amcsd 0012632 |
|
15.7442 15.7442 12.5486 90 90 120 R-3m |
|
atom x y z |
|
P1 .4784 .3322 .0343 |
|
O1 .4567 .3599 .1427 |
|
O2 .7093 .5959 -.0508 |
|
O3 .5734 .4266 -.0165 |
|
O4 .2595 .7405 .9387 |
|
O5 .2341 .7659 .6905 |
|
Li1 .3080 0 .5 |
|
Li2 .1899 .8101 .5826 |
|
H1 .17 .72 .74 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
ZnFeF5(H2O)2 |
| |
Laligant Y, Calage Y, Torres Tapia E, Greneche J, Varret F, Ferey G |
| |
Journal of Magnetism and Magnetic Materials 61 (1986) 283-290 |
|
Crystal structure of the inverse weberite ZnFeF5(H2O)2, magnetic and Mossbauer |
|
study of the antiferromagnet ZnFeF5(H2O)2 and ferrimagnet MnFeF5 |
|
_cod_database_code 1000247 |
|
_database_code_amcsd 0013056 |
|
7.475 10.766 6.594 90 90 90 Imma |
|
atom x y z |
|
Zn1 0 0 0 |
|
Fe1 .25 .25 .25 |
|
F1 0 .25 .3318 |
|
F2 .2 .1234 .0509 |
|
Wat .5 .5651 .1971 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
F5 Fe2 H4 O2 |
| |
Laligant Y, Leblanc M, Pannetier J, Ferey G |
| |
Journal of Physics C: Solid State Physics 19 (1986) 1081-1095 |
|
Ordered magnetic frustration: IV. The two magnetic structures of the |
|
inverse weberite Fe2 F5 (H2 O)2: an example of the thermal evolution of |
|
the frustration character |
|
_cod_database_code 1000404 |
|
_database_code_amcsd 0013173 |
|
7.472 10.928 6.606 90 90 90 Imma |
|
atom x y z |
|
Fe1 0 0 0 |
|
Fe2 .25 .25 .25 |
|
F1 .2032 .1266 .0511 |
|
F2 0 .25 .3364 |
|
O1 .5 .5659 .1962 |
|
H1 .3954 .5875 .1242 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
F5 Fe2 H4 O2 |
| |
Laligant Y, Leblanc M, Pannetier J, Ferey G |
| |
Journal of Physics C: Solid State Physics 19 (1986) 1081-1095 |
|
Ordered magnetic frustration: IV. The two magnetic structures of the |
|
inverse weberite Fe2 F5 (H2 O)2: an example of the thermal evolution of |
|
the frustration character |
|
_cod_database_code 1000405 |
|
_database_code_amcsd 0013174 |
|
7.469 10.927 6.602 90 90 90 Imma |
|
atom x y z |
|
Fe1 0 0 0 |
|
Fe2 .25 .25 .25 |
|
F1 .2034 .1257 .0496 |
|
F2 0 .25 .3368 |
|
O1 .5 .5658 .1994 |
|
H1 .3941 .5878 .1188 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
F5 Fe2 H4 O2 |
| |
Laligant Y, Leblanc M, Pannetier J, Ferey G |
| |
Journal of Physics C: Solid State Physics 19 (1986) 1081-1095 |
|
Ordered magnetic frustration: IV. The two magnetic structures of the |
|
inverse weberite Fe2 F5 (H2 O)2: an example of the thermal evolution of |
|
the frustration character |
|
_cod_database_code 1000406 |
|
_database_code_amcsd 0013175 |
|
7.470 10.930 6.603 90 90 90 Imma |
|
atom x y z |
|
Fe1 0 0 0 |
|
Fe2 .25 .25 .25 |
|
F1 .2029 .1252 .0507 |
|
F2 0 .25 .3347 |
|
O1 .5 .5653 .1974 |
|
H1 .3933 .5871 .1207 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
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 |
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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) |
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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 |
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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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| Download AMC data (View Text File)
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Fe2F5(H2O)2 |
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Laligant Y, Pannetier J, Labbe P, Ferey G |
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Journal of Solid State Chemistry 62 (1986) 274-277 |
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A new refinement of the crystal structure of the inverse Weberite Fe2F5(H2O)2 |
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_cod_database_code 1000402 |
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_database_code_amcsd 0013578 |
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7.477 10.862 6.652 90 90 90 Imma |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Fe1 0 0 0 .0081 .0103 .0172 0 0 -.0031 |
|
Fe2 .25 .25 .25 .0057 .0075 .0151 0 -.0012 0 |
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F1 .2024 .1252 .0544 .0121 .0167 .0273 -.0044 .0015 -.0083 |
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F2 0 .25 .3343 .0061 .0201 .0205 0 0 0 |
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O1 .5 .5690 .2034 .0205 .0354 .0154 0 0 .0059 |
|
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| Download AMC data (View Text File)
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F5 Fe H4 Mn O2 |
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Laligant Y, Pannetier J, Ferey G |
| |
Journal of Solid State Chemistry 66 (1987) 242-250 |
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Ordered magnetic frustration. VI. Crystal and magnetic structures of |
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the inverse Weberites Zn Fe F5 (H2 O)2 and Mn Fe F5 (H2 O)2 |
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at 1.5K from powder neutron diffraction |
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_cod_database_code 1000230 |
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_database_code_amcsd 0013592 |
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7.475 10.766 6.594 90 90 90 Imm2 |
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atom x y z |
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Mn1 0 .75 .75 |
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Fe1 .25 0 0 |
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F1 .291 .873 .198 |
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F2 .709 .626 .302 |
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F3 0 0 .073 |
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F4 0 .5 .427 |
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O1 .5 .321 .945 |
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O2 .5 .179 .554 |
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H1 .101 .840 .363 |
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H2 .897 .660 .138 |
|
|
| Download AMC data (View Text File)
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| |
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F5 Fe H4 O2 Zn |
| |
Laligant Y, Pannetier J, Ferey G |
| |
Journal of Solid State Chemistry 66 (1987) 242-250 |
|
Ordered magnetic frustration. VI. Crystal and magnetic structures of |
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the inverse Weberites Zn Fe F5 (H2 O)2 and Mn Fe F5 (H2 O)2 |
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at 1.5K from powder neutron diffraction |
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_cod_database_code 1000231 |
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_database_code_amcsd 0013593 |
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7.451 10.747 6.524 90 90 90 Imm2 |
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atom x y z |
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Zn1 0 .25 .75 |
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Fe1 .25 0 0 |
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F1 .274 .872 .222 |
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F2 .687 .624 .316 |
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F3 0 0 .065 |
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F4 0 .5 .401 |
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O1 .5 .307 .968 |
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O2 .5 .183 .566 |
|
H1 .120 .843 .389 |
|
H2 .908 .669 .131 |
|
|
| Download AMC data (View Text File)
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| |
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Ba2 Cu2.5 O7 Pd0.5 Y |
| |
Ferey G, Le B, Laligant Y, Hervieu M, Raveau B, Sulpice A, Tournier R |
| |
Journal of Solid State Chemistry 73 (1988) 610-614 |
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Ordered Pd^2+^ - Cu^2+^ Substitution on 1.2.3 Superconductor: The Oxide |
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Y Ba2 Cu(3-x) Pdx Oy (x=0.5) with Pd2+ in Square Planar Coordination |
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_cod_database_code 1008372 |
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_database_code_amcsd 0016282 |
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3.841 3.883 11.671 90 90 90 Pmmm |
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atom x y z occ |
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Y1 .5 .5 .5 |
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Ba1 .5 .5 .1841 |
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Cu1 0 0 .3582 |
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Cu2 0 0 0 .5 |
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Pd1 0 0 0 .5 |
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O1 0 0 .158 |
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O2 0 .5 .367 |
|
O3 .5 0 .388 |
|
O4 .5 0 0 |
|
|
| Download AMC data (View Text File)
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|
| |
|
F7 Fe Na2 Ni |
| |
Laligant Y, Calage Y, Heger G, Pannetier J, Ferey G |
| |
Journal of Solid State Chemistry 78 (1989) 66-77 |
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Ordered Magnetic Frustration VII. Na2 Ni Fe F7: Reexamination of |
|
Its Crystal Structure in the True Space Group after Corrections from |
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Renninger Effect and Refinement of Its Frustrated Magnetic Structure at |
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4.2 and 55 K |
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_cod_database_code 1000257 |
|
_database_code_amcsd 0013630 |
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7.2338 10.3050 7.4529 90 90 90 Imma |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Na1 0 0 0 .0236 .0568 .0190 0 0 .0189 |
|
Na2 .25 .25 .75 .0223 .0230 .0667 0 -.0036 0 |
|
Ni1 .25 .25 .25 .0068 .0066 .0082 0 .0011 0 |
|
Fe1 0 0 .5 .0090 .0084 .0083 0 0 .0025 |
|
F1 0 .25 .1473 .0074 .0286 .0177 0 0 0 |
|
F2 0 .4109 .7299 .0229 .0207 .0109 0 0 .0016 |
|
F3 .1960 .3840 .4348 .0162 .0188 .0290 .0051 .0011 -.0108 |
|
|
| Download AMC data (View Text File)
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|
| |
|
F7 Fe Na2 Ni |
| |
Laligant Y, Calage Y, Heger G, Pannetier J, Ferey G |
| |
Journal of Solid State Chemistry 78 (1989) 66-77 |
|
Ordered Magnetic Frustration VII. Na2 Ni Fe F7: Reexamination of |
|
Its Crystal Structure in the True Space Group after Corrections from |
|
Renninger Effect and Refinement of Its Frustrated Magnetic Structure at |
|
4.2 and 55 K |
|
_cod_database_code 1000258 |
|
_database_code_amcsd 0013631 |
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7.203 10.255 7.429 90 90 90 Imma |
|
atom x y z |
|
Na1 0 0 0 |
|
Na2 .25 .25 .75 |
|
Ni1 .25 .25 .25 |
|
Fe1 0 0 .5 |
|
F1 0 .25 .143 |
|
F2 0 .417 .733 |
|
F3 .196 .377 .429 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
F7 Fe Na2 Ni |
| |
Laligant Y, Calage Y, Heger G, Pannetier J, Ferey G |
| |
Journal of Solid State Chemistry 78 (1989) 66-77 |
|
Ordered Magnetic Frustration VII. Na2 Ni Fe F7: Reexamination of |
|
Its Crystal Structure in the True Space Group after Corrections from |
|
Renninger Effect and Refinement of Its Frustrated Magnetic Structure at |
|
4.2 and 55 K |
|
_cod_database_code 1000259 |
|
_database_code_amcsd 0013632 |
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7.203 10.256 7.429 90 90 90 Imma |
|
atom x y z |
|
Na1 0 0 0 |
|
Na2 .25 .25 .75 |
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Ni1 .25 .25 .25 |
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Fe1 0 0 .5 |
|
F1 0 .25 .146 |
|
F2 0 .416 .734 |
|
F3 .196 .376 .428 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Cu6 Fe0.9 O19 V6 |
| |
Permer L, Laligant Y, Ferey G, Calage Y |
| |
Journal of Solid State Chemistry 107 (1993) 539-546 |
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Crystal structure, magnetic, and Moessbauer studies of |
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Cu6Fe0.9V6O19: a compound with relaxation effect |
|
_cod_database_code 1000354 |
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_database_code_amcsd 0013787 |
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12.9399 12.9399 7.1275 90 90 120 R-3 |
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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) |
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Cu1 .0419 .7627 .0997 .0164 .0152 .0189 .0109 -.0005 .0000 |
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Fe1 0 0 0 .9 .0111 .0111 .0078 .0055 0 0 |
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V1 .1552 .0204 .3292 .0072 .0091 .0082 .0043 .0004 .0001 |
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O1 .4801 .5768 .1699 .0091 .0106 .0101 .0068 .0022 .0018 |
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O2 .4566 .6837 .4823 .0083 .0096 .0096 .0040 .0000 -.0002 |
|
O3 0 0 .5 .0079 .007 .0081 .0040 0 0 |
|
O4 .5980 .7009 .8546 .0111 .0157 .0091 .0080 .0015 -.0005 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Cu3Fe4(VO4)6 |
| |
Lafontaine M, Greneche J, Laligant Y, Ferey G |
| |
Journal of Solid State Chemistry 108 (1994) 1-10 |
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beta-Cu3Fe4(VO4)6: Structural study and relationships; physical properties |
|
_cod_database_code 1000346 |
|
_database_code_amcsd 0013788 |
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6.600 8.048 9.759 106.08 103.72 102.28 P-1 |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Cu1 0 .5 .5 .0261 .0120 .0383 .0075 .0226 .0110 |
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Cu2 .7226 .7085 .2093 .0121 .0207 .0354 .0067 .0132 .0156 |
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Fe1 .3805 .9487 .6078 .0057 .0115 .0124 .0023 .0019 .0070 |
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Fe2 .0410 .2035 .0091 .0055 .011 .0139 .0019 .0017 .0064 |
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V1 .8917 .8998 .6644 .004 .0094 .0090 .0009 .0012 .0036 |
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V2 .2208 .6546 .2699 .0048 .0105 .0102 .0030 .0015 .005 |
|
V3 .5903 .2681 .1236 .0045 .0093 .0072 .0014 .0006 .0043 |
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O1 .0778 .0591 .1444 .0059 .0132 .0115 .0019 -.0033 .0047 |
|
O2 .5611 .1363 .2296 .0114 .0245 .0160 -.0028 .0003 .0039 |
|
O3 .1765 .4381 .1833 .0110 .0111 .0269 .0043 .0063 .0035 |
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O4 .9960 .2843 .8319 .0088 .0255 .0127 .0069 .0060 .0036 |
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O5 .2396 .7842 .9721 .0102 .0303 .0284 .0120 .0103 .015 |
|
O6 .8715 .9775 .3506 .0101 .010 .0220 .0028 .0047 .0037 |
|
O7 .5267 .2340 .7345 .0114 .0291 .0306 .0047 .0152 .0219 |
|
O8 .3417 .2373 .9889 .0101 .0166 .0117 .0049 .0017 .006 |
|
O9 .3314 .0362 .4267 .0089 .0286 .0180 .0066 .0104 .0146 |
|
O10 .2077 .6913 .4518 .0152 .0181 .0187 .0079 .0015 .0015 |
|
O11 .6996 .4854 .2432 .0169 .0373 .0408 .0029 .0159 .0172 |
|
O12 .1301 .3131 .4202 .0158 .0256 .0162 -.0027 .0060 .0103 |
|
|
| Download AMC data (View Text File)
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|
| |
|
H O4 P Sr |
| |
Ben Taher L, Smiri L, Laligant Y, Maisonneuve V |
| |
Journal of Solid State Chemistry 152 (2000) 428-434 |
|
Investigation of th alkaline earth phosphates: synthesis and crystal |
|
structure of a new strontium hydrogen phosphate form |
|
_cod_database_code 1004016 |
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_database_code_amcsd 0013992 |
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8.131 9.258 18.084 90 90 90 Pbca |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Sr1 .1244 .3213 .12536 .0048 .0108 .0156 -.0005 -.0007 -.0005 |
|
Sr2 .86913 .6821 .11737 .0057 .0092 .0153 .0004 .0000 .0003 |
|
P1 .2510 .0770 .0037 .0042 .0078 .0147 -.0001 .0016 .0013 |
|
P2 .5227 .4790 .2057 .0033 .0077 .0147 .0002 .0002 -.0003 |
|
O1 .0903 .1632 .0042 .0049 .0052 .0221 .0011 .0031 -.0029 |
|
O2 .3450 .1013 .0754 .0099 .0154 .0179 -.0037 -.0084 .0041 |
|
O3 .3472 .1074 -.0663 .0085 .0162 .0183 -.0013 .0039 .0019 |
|
O4 .2064 -.0904 .0010 .0052 .0114 .0180 -.0004 -.0018 -.0049 |
|
O5 .5793 .6203 .1718 .0107 .0123 .0246 -.0005 -.0024 .0102 |
|
O6 .6754 .3742 .2213 .0070 .0109 .0247 .004 -.0047 .0002 |
|
O7 .4484 .5019 .2828 .0100 .0144 .0178 -.0007 .0101 -.0043 |
|
O8 .4140 .3877 .1571 .0186 .0167 -.0026 .0150 -.0022 -.0039 |
|
H1 .097 .90 .009 .040 |
|
H2 .76 .42 .215 .080 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Bi2Sr2CaCu2O8 |
| |
Hervieu M, Michel C, Domenges B, Laligant Y, Lebail A, Ferey G, Raveau B |
| |
Modern Physics Letters B2 (1988) 491-500 |
|
Electron microscopy study of the superconductor "Bi2Sr2CaCu2O8" |
|
_cod_database_code 1000285 |
|
_database_code_amcsd 0014652 |
|
5.4054 5.4016 30.7152 90 90 90 Amaa |
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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) |
|
Bi1 .052 .2745 .0524 .5 .054 .008 .033 0 0 0 |
|
Sr1 0 .75 .3597 .095 .01 .068 0 0 0 |
|
Cu1 .5 .75 .3033 0 0 .096 0 0 0 |
|
Ca1 .5 .25 .25 .099 .03 .158 0 0 0 |
|
O1 .75 0 .201 |
|
O2 .25 .5 .201 |
|
O3 0 .25 .385 |
|
O4 .5 .27 .0524 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Ba2 Cu2.5 O7 Pd0.5 Y |
| |
Ferey G, Le Bail A, Laligant Y, Hervieu M, Raveau B, Sulpice A, Tournier R |
| |
Physica C 153 (1988) 489-490 |
|
Ordered Pd^2+^ - Cu^2+^ substitution in 1.2.3. superconductor: The |
|
oxide Y Ba2 Cu3-x Pdx Oy (x=0.5) with Pd^2+^ in square planar coordination |
|
_cod_database_code 1008378 |
|
_database_code_amcsd 0016288 |
|
3.841 3.883 11.671 90 90 90 Pmmm |
|
atom x y z occ |
|
Y1 .5 .5 .5 |
|
Ba1 .5 .5 .1841 |
|
Cu1 0 0 .3582 |
|
Cu2 0 0 0 .5 |
|
Pd1 0 0 0 .5 |
|
O1 0 0 .158 |
|
O2 0 .5 .367 |
|
O3 .5 0 .388 |
|
O4 .5 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
YBa2Cu2.5Pd0.5O7 |
| |
Ferey G, Le Bail A, Laligant Y, Hervieu M, Raveau B, Sulpice A, Tournier R |
| |
Physica C 153 (1988) 489-490 |
|
Ordered Pd2+ - Cu2+ substitution in 1.2.3. superconductor: The |
|
oxide YBa2Cu3-xPdxOy (x=0.5) with Pd2+ in square planar coordination. |
|
_cod_database_code 1000066 |
|
_database_code_amcsd 0015102 |
|
3.841 3.883 11.671 90 90 90 Pmmm |
|
atom x y z occ |
|
Y .5 .5 .5 |
|
Ba .5 .5 .1841 |
|
Cu1 0 0 .3582 |
|
Cu2 0 0 0 .5 |
|
Pd 0 0 0 .5 |
|
O1 0 0 .158 |
|
O2 0 .5 .367 |
|
O3 .5 0 .388 |
|
O4 .5 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Cr F7 Na2 Ni |
| |
Laligant Y, Ferey G, Heger G, Pannetier J |
| |
Zeitschrift fur Anorganische und Allgemeine Chemie 553 (1987) 163-171 |
|
Refinement of the crystal and frustrated magnetic structures of the |
|
direct weberite Na2 Ni Cr F7 by neutron powder diffraction |
|
_cod_database_code 1000237 |
|
_database_code_amcsd 0015791 |
|
7.183 10.224 7.414 90 90 90 Imma |
|
atom x y z |
|
Na1 0 0 0 |
|
Na2 .25 .25 .75 |
|
F1 0 .25 .144 |
|
F2 0 .4120 .7265 |
|
F3 .1957 .3850 .4361 |
|
Ni1 .25 .25 .25 |
|
Cr1 0 0 .5 |
|
|
| 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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