|
Li Mo2 O8 Y |
| |
le Page Y, Strobel P |
 |
Acta Crystallographica B36 (1980) 1919-1920 |
|
Structure of Lithium Yttrium Bismolybdate(VI) |
|
_cod_database_code 1008103 |
|
_database_code_amcsd 0016045 |
|
6.7296 10.2792 5.1916 100.26 113.73 71.94 P-1 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mo1 .2999 .6796 .4633 .0091 .0086 .0079 -.0027 .0036 -.0004 |
|
Mo2 .1541 .1998 .2368 .0130 .0080 .0098 -.0018 .0039 .0009 |
|
Y1 .2274 .4402 -.1513 .0232 .0233 .0213 -.0060 .0082 .0009 |
|
Li1 .3865 .8852 .0590 |
|
O1 .4347 .5714 .2375 .0146 .0167 .0158 -.0043 .0062 .0000 |
|
O2 .1164 .5930 .4996 .0116 .0138 .0126 -.0033 .0063 .0006 |
|
O3 .3122 .0686 .085 .0256 .0192 .0299 -.0052 .0161 -.0049 |
|
O4 .4985 .7068 .8004 .0161 .0106 .0169 -.0035 .0013 .0004 |
|
O5 .1762 .8369 .3191 .0217 .0108 .0151 -.0004 .0085 .0019 |
|
O6 .0422 .3595 .0570 .0178 .0143 .0181 -.0030 .0086 .0041 |
|
O7 .3244 .228 -.4041 .0168 .0255 .0172 -.0044 .0055 .0025 |
|
O8 -.0559 .1378 .2462 .0292 .0156 .0151 -.0099 .0085 .0003 |
|
|
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|
| |
|
Kamiokite |
 |
le Page Y, Strobel P |
|
Acta Crystallographica B38 (1982) 1265-1267 |
|
Structure of Iron(II) Molybdenum(IV) Oxide Fe2 Mo3 O8 |
|
_cod_database_code 1008752 |
|
_database_code_amcsd 0016631 |
|
5.7732 5.7732 10.0542 90 90 120 P6_3mc |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mo1 .14605 -.14605 .25 .00273 .00273 .00283 .00179 .00006 -.00006 |
|
Fe1 1/3 2/3 -.04810 .0067 .0067 .0033 .0033 0 0 |
|
Fe2 1/3 2/3 .51301 .0052 .0052 .0024 .0026 0 0 |
|
O1 0 0 .3906 .0040 .0040 .0051 .0020 0 0 |
|
O2 1/3 2/3 .1470 .0053 .0053 .0048 .0026 0 0 |
|
O3 .4883 -.4883 .3629 .0041 .0041 .0063 .002 -.0005 .0005 |
|
O4 .1671 -.1671 .6344 .005 .005 .0064 .0022 .0006 -.0006 |
|
|
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|
| |
|
Cryptomelane |
|
Vicat J, Fanchon E, Strobel P, Tran Qui D |
|
Acta Crystallographica B42 (1986) 162-167 |
|
The structure of K1.33Mn8O16 and cation ordering in hollandite-type structures |
|
Locality: synthetic |
|
_cod_database_code 1008322 |
|
_database_code_amcsd 0016237 |
|
9.866 9.866 2.872 90 90 90 I4/m |
|
atom x y z occ |
|
K 0 0 .3754 .3333 |
|
Mn .34891 .16621 0 |
|
O1 .15445 .20295 0 |
|
O2 .54206 .16496 0 |
|
|
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|
| |
|
Ba1.2Ti6.8Mg1.2O16 |
| |
Fanchon E, Vicat J, Hodeau J, Wolfers P, Duc Tran Qui, Strobel P |
|
Acta Crystallographica B43 (1987) 440-448 |
|
Commensurate ordering and domains in the Ba1.2Ti6.8Mg1.2O16 hollandite |
|
_cod_database_code 1008813 |
|
_database_code_amcsd 0016683 |
|
10.227 14.907 9.964 90 90.77 90 I2/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 0 .13264 0 .0133 .0180 .0146 0 .0006 0 |
|
Ba2 0 .5 0 .0183 .0171 .0173 0 .0005 0 |
|
Ti1 .6556 0 .1630 .85 |
|
Mg1 .6556 0 .1630 .15 |
|
Ti2 .6428 .1993 .1779 .85 |
|
Mg2 .6428 .1993 .1779 .15 |
|
Ti3 .6474 .4001 .1629 .85 |
|
Mg3 .6474 .4001 .1629 .15 |
|
Ti4 .1580 0 .3400 .85 |
|
Mg4 .1580 0 .3400 .15 |
|
Ti5 .1731 .1993 .3540 .85 |
|
Mg5 .1731 .1993 .3540 .15 |
|
Ti6 .1613 .3999 .3476 .85 |
|
Mg6 .1613 .3999 .3476 .15 |
|
O1 .845 0 .195 |
|
O2 .842 .201 .1974 |
|
O3 .842 .4017 .200 |
|
O4 .851 0 .461 |
|
O5 .8449 .200 .4576 |
|
O6 .8363 .3989 .460 |
|
O7 .203 0 .149 |
|
O8 .2048 .198 .151 |
|
O9 .206 .4004 .150 |
|
O10 .462 0 .169 |
|
O11 .4573 .201 .1716 |
|
O12 .459 .3994 .1838 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Cu O6 Pt Sr3 |
| |
Hodeau J, Tu H, Bordet P, Fournier T, Strobel P, Marezio M, Chandrashekhar G |
|
Acta Crystallographica B48 (1992) 1-11 |
|
Structure and twinning of Sr3CuPtO6 |
|
_cod_database_code 1008498 |
|
_database_code_amcsd 0016391 |
|
9.317 9.720 6.685 90 91.95 90 C2/c |
|
atom x y z |
|
Pt1 .25 .25 .5 |
|
Cu1 0 .2987 .25 |
|
Sr1 0 .8968 .25 |
|
Sr2 .3145 .0727 .1211 |
|
O1 .288 .815 .285 |
|
O2 .058 .341 .537 |
|
O3 .141 .073 .427 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Cs3 Mn3 O16 V4 |
| |
le Page Y, Strobel P |
| |
Inorganic Chemistry 21 (1982) 620-623 |
|
Crystal Structure of a New Cesium Manganese Vanadium Oxide, Cs3Mn3V4O16 |
|
_cod_database_code 1008179 |
|
_database_code_amcsd 0016116 |
|
5.1947 7.5017 11.4367 77.70 89.72 82.62 P-1 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Cs1 0 0 0 .0185 .0138 .0297 -.0022 .0085 -.0084 |
|
Cs2 .11310 .26057 .48568 .0267 .0221 .0222 .00142 .00101 -.00536 |
|
Mn1 .5 .5 0 .0043 .0075 .0102 -.0012 .0010 -.0018 |
|
Mn2 .01090 .44142 .13212 .0059 .0078 .0109 -.0008 .0012 -.0014 |
|
V1 .5266 .13349 .23364 .0069 .0080 .0128 -.0011 .0005 -.0015 |
|
V2 .4748 .32817 .76158 .0082 .0084 .0134 -.0022 .0014 -.0040 |
|
O1 .8074 .6139 .0076 .0101 .0043 .012 -.0003 .0005 -.0009 |
|
O2 .3898 .6394 .3667 .021 .034 .025 -.006 .007 -.012 |
|
O3 .6522 .1050 .3676 .012 .017 .021 -.0003 -.0005 -.0004 |
|
O4 .3386 .6038 .1322 .013 .013 .016 -.0009 .0000 -.0046 |
|
O5 .6962 .2730 .1288 .0081 .011 .015 -.003 .0041 -.0017 |
|
O6 .2071 .2371 .2354 .011 .015 .016 .0005 .0003 .0042 |
|
O7 .1698 .4529 .7422 .015 .014 .017 -.0025 -.0008 -.0037 |
|
O8 .4535 .0841 .8117 .024 .010 .038 -.0034 .007 -.013 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Marokite |
|
Zouari S, Ranno L, Cheikh-Rouhou A, Isnard O, Pernet M, Wolfers P, Strobel P |
| |
Journal of Alloys and Compounds 353 (2003) 5-11 |
|
New model for the magnetic structure of the marokite-type oxide CaMn2O4 |
|
Locality: synthetic |
|
Sample: T = 280 K |
|
_database_code_amcsd 0012829 |
|
3.1492 9.98 9.66 90 90 90 Pbcm |
|
atom x y z Biso |
|
Ca .685 .150 .75 1.10 |
|
Mn .208 .113 .067 .93 |
|
O1 .599 .25 0 .83 |
|
O2 .190 .186 .25 1.16 |
|
O3 .795 .9737 .1085 .71 |
|
|
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|
| |
|
Marokite |
|
Zouari S, Ranno L, Cheikh-Rouhou A, Isnard O, Pernet M, Wolfers P, Strobel P |
| |
Journal of Alloys and Compounds 353 (2003) 5-11 |
|
New model for the magnetic structure of the marokite-type oxide CaMn2O4 |
|
Locality: synthetic |
|
Note: reported bond lengths are inconsistent with reported structure |
|
Sample: T = 1.5 K |
|
_database_code_amcsd 0012830 |
|
6.2545 9.8995 9.627 90 90 90 Pbca |
|
atom x y z |
|
Ca .416 .160 .75 |
|
Mn1 .150 .115 .067 |
|
Mn2 .650 .115 .067 |
|
O1 .283 .25 0 |
|
O2 .149 .188 .25 |
|
O3 .381 .970 .110 |
|
O4 .881 .970 .110 |
|
|
| Download AMC data (View Text File)
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|
| |
|
O11 Ti6 |
| |
le Page Y, Strobel P |
| |
Journal of Solid State Chemistry 44 (1982) 273-281 |
|
Structural chemistry of the Magneli phases Tin O(2n-1), 4<=n<=9 |
|
_cod_database_code 1008195 |
|
_database_code_amcsd 0016131 |
|
5.552 7.126 32.233 66.94 57.08 108.51 I-1 |
|
atom x y z |
|
Ti1 .01694 .01249 .04189 |
|
Ti2 .04804 .04599 .12796 |
|
Ti3 .08925 .03991 .21912 |
|
Ti4 .01538 .51222 .04304 |
|
Ti5 .04278 .53903 .12984 |
|
Ti6 .09235 .54489 .21673 |
|
O1 -.0195 .6931 .07571 |
|
O2 -.0770 .6704 .17792 |
|
O3 .0336 .3219 .01279 |
|
O4 .0583 .3383 .10073 |
|
O5 .0325 .3150 .19623 |
|
O6 .6036 .8195 .05449 |
|
O7 .6344 .8401 .14142 |
|
O8 .6231 .8426 .23277 |
|
O9 .4055 .1862 .03826 |
|
O10 .4127 .1885 .12846 |
|
O11 .4436 .1793 .21666 |
|
|
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|
| |
|
O13 Ti7 |
| |
le Page Y, Strobel P |
| |
Journal of Solid State Chemistry 44 (1982) 273-281 |
|
Structural chemistry of the Magneli phases Tin O(2n-1), 4<=n<=9 |
|
_cod_database_code 1008196 |
|
_database_code_amcsd 0016132 |
|
5.537 7.132 38.151 66.70 57.12 108.50 I-1 |
|
atom x y z |
|
Ti1 0 0 0 |
|
Ti2 .02289 .01798 .07288 |
|
Ti3 .05373 .05037 .14620 |
|
Ti4 .09013 .04081 .22389 |
|
Ti5 0 .5 0 |
|
Ti6 .02534 .51812 .07388 |
|
Ti7 .04851 .54356 .14797 |
|
Ti8 .09374 .54566 .22168 |
|
O1 -.0163 .6883 .02573 |
|
O2 -.0101 .6993 .10149 |
|
O3 -.0736 .6742 .18849 |
|
O4 .0306 .3227 .04987 |
|
O5 .0594 .3402 .12404 |
|
O6 .0336 .3155 .20471 |
|
O7 .6002 .8098 .00662 |
|
O8 .6147 .8255 .08371 |
|
O9 .6411 .8441 .15710 |
|
O10 .6219 .8418 .23535 |
|
O11 .4061 .1927 .07037 |
|
O12 .4158 .1926 .14683 |
|
O13 .4448 .1816 .22180 |
|
|
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|
| |
|
O15 Ti8 |
| |
le Page Y, Strobel P |
| |
Journal of Solid State Chemistry 44 (1982) 273-281 |
|
Structural chemistry of the Magneli phases Tin O(2n-1), 4<=n<=9 |
|
_cod_database_code 1008197 |
|
_database_code_amcsd 0016133 |
|
5.526 7.133 44.059 66.54 57.18 108.51 I-1 |
|
atom x y z |
|
Ti1 .00490 .00533 .032340 |
|
Ti2 .03156 .02307 .095800 |
|
Ti3 .05726 .05485 .159760 |
|
Ti4 .09216 .04119 .227220 |
|
Ti5 .01200 .50575 .032360 |
|
Ti6 .03377 .52580 .09657 |
|
Ti7 .05330 .54622 .161410 |
|
Ti8 .09541 .54753 .225200 |
|
O1 .9921 .6946 .05492 |
|
O2 .9960 .7047 .12063 |
|
O3 .9271 .6759 .19678 |
|
O4 .0128 .3120 .01151 |
|
O5 .0328 .3263 .07661 |
|
O6 .0627 .3430 .14043 |
|
O7 .0346 .3147 .21074 |
|
O8 .6108 .8155 .03858 |
|
O9 .6231 .8305 .10511 |
|
O10 .6430 .8459 .16930 |
|
O11 .6215 .8429 .23719 |
|
O12 .4016 .1970 .02702 |
|
O13 .4108 .1977 .09383 |
|
O14 .4199 .1960 .16018 |
|
O15 .4458 .1826 .22525 |
|
|
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|
| |
|
O17 Ti9 |
| |
le Page Y, Strobel P |
| |
Journal of Solid State Chemistry 44 (1982) 273-281 |
|
Structural chemistry of the Magneli phases Tin O(2n-1), 4<=n<=9 |
|
_cod_database_code 1008198 |
|
_database_code_amcsd 0016134 |
|
5.524 7.142 50.03 66.41 57.20 108.53 I-1 |
|
atom x y z |
|
Ti1 0 0 0 |
|
Ti2 .01284 .01106 .057340 |
|
Ti3 .03725 .02811 .113550 |
|
Ti4 .06027 .05701 .170150 |
|
Ti5 .09266 .04166 .229840 |
|
Ti6 0 .5 0 |
|
Ti7 .02191 .51380 .057080 |
|
Ti8 .03915 .52960 .114290 |
|
Ti9 .05638 .54882 .171600 |
|
Ti10 .09580 .54775 .228110 |
|
O1 .9956 .69378 .01865 |
|
O2 .9996 .70035 .07726 |
|
O3 .0026 .70937 .13528 |
|
O4 .9292 .67779 .20287 |
|
O5 .0144 .31481 .03964 |
|
O6 .0369 .33014 .09674 |
|
O7 .0655 .34573 .15317 |
|
O8 .0366 .31665 .21516 |
|
O9 .6069 .80771 .00511 |
|
O10 .6180 .81943 .06302 |
|
O11 .6283 .83343 .12169 |
|
O12 .6456 .84786 .17851 |
|
O13 .6226 .84322 .23860 |
|
O14 .4057 .20318 .05274 |
|
O15 .4148 .20198 .11185 |
|
O16 .4225 .19848 .17058 |
|
O17 .4479 .18366 .22803 |
|
|
| Download AMC data (View Text File)
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|
| |
|
O11 Ti6 |
| |
le Page Y, Strobel P |
| |
Journal of Solid State Chemistry 47 (1983) 6-15 |
|
Structural Chemistry of Magneli Phases TinO2n-1 (4<=n<=9). |
|
III.Valence Ordering of Titanium in Ti6 O11 at 130K |
|
_cod_database_code 1008201 |
|
_database_code_amcsd 0016137 |
|
7.517 11.986 13.397 98.29 105.52 107.79 P-1 |
|
atom x y z |
|
Ti1 .13727 .02810 .94161 |
|
Ti2 .42566 .08682 .83037 |
|
Ti3 .29914 .87112 .30832 |
|
Ti4 .36417 .80428 .89146 |
|
Ti5 .07259 .74813 .00701 |
|
Ti6 .19372 .30203 .86303 |
|
Ti7 .13500 .35851 .27662 |
|
Ti8 .43417 .41556 .16243 |
|
Ti9 .30186 .52800 .97175 |
|
Ti10 .36228 .47360 .55788 |
|
Ti11 .07015 .41260 .67031 |
|
Ti12 .19846 .62583 .19053 |
|
Ti13 .14076 .69396 .61097 |
|
Ti14 .43219 .75229 .49713 |
|
Ti15 .30548 .20666 .64345 |
|
Ti16 .35060 .13546 .22563 |
|
Ti17 .06690 .07884 .34509 |
|
Ti18 .19441 .96193 .53274 |
|
O1 .0838 .7134 .8646 |
|
O2 .1993 .3650 .0153 |
|
O3 .3610 .1046 .0807 |
|
O4 .3583 .8376 .0391 |
|
O5 .0971 .7748 .1665 |
|
O6 .0175 .8912 .0011 |
|
O7 .2680 .1650 .8836 |
|
O8 .4557 .7668 .2349 |
|
O9 .3033 .9540 .8769 |
|
O10 .4250 .9872 .2459 |
|
O11 .1716 .9427 .3757 |
|
O12 .0776 .3784 .5304 |
|
O13 .2021 .6989 .3419 |
|
O14 .3574 .4369 .4100 |
|
O15 .3567 .5063 .7085 |
|
O16 .0872 .4412 .8302 |
|
O17 .0163 .5574 .6675 |
|
O18 .2648 .4970 .2137 |
|
O19 .4604 .4410 .9018 |
|
O20 .3015 .2858 .2099 |
|
O21 .4271 .6580 .9113 |
|
O22 .1691 .6107 .0455 |
|
O23 .0800 .0459 .1943 |
|
O24 .2143 .0416 .6825 |
|
O25 .3622 .7732 .7466 |
|
O26 .3619 .1737 .3746 |
|
O27 .1047 .1092 .5044 |
|
O28 .0164 .2256 .3331 |
|
O29 .2264 .8276 .5463 |
|
O30 .4664 .1084 .5728 |
|
O31 .3008 .6189 .5406 |
|
O32 .4257 .3229 .5792 |
|
O33 .1711 .2777 .7087 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Li2 Mn O3 |
| |
Strobel P, Lambert-Andron B |
| |
Journal of Solid State Chemistry 75 (1988) 90-98 |
|
Crystallographic and Magnetic Structure of Li2 Mn O3 |
|
_cod_database_code 1008373 |
|
_database_code_amcsd 0016283 |
|
4.937 8.532 5.030 90 109.46 90 C2/m |
|
atom x y z |
|
Mn1 0 .16708 0 |
|
Li1 0 .5 0 |
|
Li2 0 0 .5 |
|
Li3 0 .6606 .5 |
|
O1 .2189 0 .2273 |
|
O2 .2540 .32119 .2233 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Li1.12 Mn1.88 O4 |
| |
Strobel P, Le Cras F, Seguin L, Anne M, Tarascon J |
| |
Journal of Solid State Chemistry 135 (1998) 132-139 |
|
Oxygen nonstoichiometry in Li-Mn-O spinel oxides: a powder neutron |
|
diffraction study |
|
_cod_database_code 1009062 |
|
_database_code_amcsd 0016923 |
|
8.2232 8.2232 8.2232 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
Li1 .125 .125 .125 |
|
Li2 .5 .5 .5 .06 |
|
Mn1 .5 .5 .5 .94 |
|
O1 .2633 .2633 .2633 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Li1.08 Mn1.98 O4 |
| |
Strobel P, Le Cras F, Seguin L, Anne M, Tarascon J |
| |
Journal of Solid State Chemistry 135 (1998) 132-139 |
|
Oxygen nonstoichiometry in Li-Mn-O spinel oxides: a powder neutron |
|
diffraction study |
|
_cod_database_code 1009063 |
|
_database_code_amcsd 0016924 |
|
8.2449 8.2449 8.2449 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
Li1 .125 .125 .125 |
|
Mn1 .5 .5 .5 .99 |
|
O1 .2632 .2632 .2632 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Li0.89 Mn2 O3.84 |
| |
Strobel P, Le Cras F, Seguin L, Anne M, Tarascon J |
| |
Journal of Solid State Chemistry 135 (1998) 132-139 |
|
Oxygen nonstoichiometry in Li-Mn-O spinel oxides: a powder neutron |
|
diffraction study |
|
_cod_database_code 1009064 |
|
_database_code_amcsd 0016925 |
|
5.7396 5.7396 8.6709 90 90 90 *I4_1/amd |
|
0 -.25 .125 |
|
atom x y z occ |
|
Li1 0 .75 .125 .89 |
|
Mn1 0 0 .5 |
|
O1 0 .4734 .2608 .96 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Li1.198 Mn1.802 O3.972 |
| |
Strobel P, Le Cras F, Seguin L, Anne M, Tarascon J |
| |
Journal of Solid State Chemistry 135 (1998) 132-139 |
|
Oxygen nonstoichiometry in Li-Mn-O spinel oxides: a powder neutron |
|
diffraction study |
|
_cod_database_code 1009065 |
|
_database_code_amcsd 0016926 |
|
8.1491 8.1491 8.1491 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
Li1 .125 .125 .125 |
|
Li2 .5 .5 .5 .099 |
|
Mn1 .5 .5 .5 .901 |
|
O1 .26251 .26251 .26251 .993 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Li1.288 Mn1.716 O3.732 |
| |
Strobel P, Le Cras F, Seguin L, Anne M, Tarascon J |
| |
Journal of Solid State Chemistry 135 (1998) 132-139 |
|
Oxygen nonstoichiometry in Li-Mn-O spinel oxides: a powder neutron |
|
diffraction study |
|
_cod_database_code 1009066 |
|
_database_code_amcsd 0016927 |
|
8.1634 8.1634 8.1634 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
Li1 .125 .125 .125 |
|
Li2 .5 .5 .5 .144 |
|
Mn1 .5 .5 .5 .858 |
|
O1 .26251 .26251 .26251 .933 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Fe2 Li0.87 O3 |
| |
Bonnet B, Strobel P, Pernet, Gondrand M, Gros Y, Mouget C, Chabre Y |
| |
Materials Science Forum 91 (1992) 345-350 |
|
Structural aspects of lithium insertion into gamma-Fe2O3 |
|
_cod_database_code 1008561 |
|
_database_code_amcsd 0016452 |
|
8.4318 8.4318 8.4318 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
Fe1 .5 .5 .5 .1676 |
|
Li1 .5 .5 .5 .0199 |
|
Fe2 0 0 0 .069 |
|
Li2 0 0 0 .0888 |
|
Fe3 .125 .125 .125 .0269 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
YBa2Cu2Cu1.77Fe.23O7.13 |
| |
Bordet P, Hodeau J, Strobel P, Marezio M, Santoro A |
| |
Solid State Communications 66 (1988) 435-439 |
|
Neutron and electron diffraction study of YBa2Cu2Cu1.77Fe.23O7.13 |
|
_cod_database_code 1008426 |
|
_database_code_amcsd 0016333 |
|
3.8674 3.8674 11.6687 90 90 90 P4/mmm |
|
atom x y z occ |
|
Y .5 .5 .5 |
|
Ba .5 .5 .1855 |
|
Cu1 0 0 0 .77 |
|
Fe1 0 0 0 .23 |
|
Cu2 0 0 .35655 |
|
O1 0 0 .1575 |
|
O2 .5 0 .37803 |
|
O3 0 .5 0 .564 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Cu3 O6.91 Y |
| |
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P |
| |
Solid State Communications 66 (1988) 1117-1125 |
|
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7 |
|
by high resolution neutron powder diffraction |
|
_cod_database_code 1008382 |
|
_database_code_amcsd 0016291 |
|
3.8091 3.8788 11.6369 90 90 90 Pmmm |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ba1 .5 .5 .1845 .25 .25 .25 0 0 0 |
|
Y1 .5 .5 .5 .25 .25 .25 0 0 0 |
|
Cu1 0 0 0 .28 .28 .28 0 0 0 |
|
Cu2 0 0 .3552 .18 .18 .18 0 0 0 |
|
O1 0 0 .1595 .42 .42 .42 0 0 0 |
|
O2 .5 0 .3779 .37 .37 .37 0 0 0 |
|
O3 0 .5 .3772 .32 .32 .32 0 0 0 |
|
O4 .0219 .5 0 .455 .35 .35 .35 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Cu3 O6.91 Y |
| |
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P |
| |
Solid State Communications 66 (1988) 1117-1125 |
|
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7 |
|
by high resolution neutron powder diffraction |
|
_cod_database_code 1008383 |
|
_database_code_amcsd 0016292 |
|
3.8093 3.8787 11.6376 90 90 90 Pmmm |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ba1 .5 .5 .1841 .25 .25 .25 0 0 0 |
|
Y1 .5 .5 .5 .22 .22 .22 0 0 0 |
|
Cu1 0 0 0 .28 .28 .28 0 0 0 |
|
Cu2 0 0 .3548 .23 .23 .23 0 0 0 |
|
O1 0 0 .1595 .44 .44 .44 0 0 0 |
|
O2 .5 0 .3781 .35 .35 .35 0 0 0 |
|
O3 0 .5 .3774 .35 .35 .35 0 0 0 |
|
O4 .0228 .5 0 .455 .24 .24 .24 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Cu3 O6.91 Y |
| |
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P |
| |
Solid State Communications 66 (1988) 1117-1125 |
|
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7 |
|
by high resolution neutron powder diffraction |
|
_cod_database_code 1008384 |
|
_database_code_amcsd 0016293 |
|
3.8097 3.8788 11.6397 90 90 90 Pmmm |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ba1 .5 .5 .1841 .32 .32 .32 0 0 0 |
|
Y1 .5 .5 .5 .26 .26 .26 0 0 0 |
|
Cu1 0 0 0 .28 .28 .28 0 0 0 |
|
Cu2 0 0 .3550 .23 .23 .23 0 0 0 |
|
O1 0 0 .1594 .43 .43 .43 0 0 0 |
|
O2 .5 0 .3781 .38 .38 .38 0 0 0 |
|
O3 0 .5 .3775 .36 .36 .36 0 0 0 |
|
O4 .0223 .5 0 .455 .30 .30 .30 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Cu3 O6.91 Y |
| |
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P |
| |
Solid State Communications 66 (1988) 1117-1125 |
|
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7 |
|
by high resolution neutron powder diffraction |
|
_cod_database_code 1008385 |
|
_database_code_amcsd 0016294 |
|
3.8097 3.8788 11.6409 90 90 90 Pmmm |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ba1 .5 .5 .1841 .26 .26 .26 0 0 0 |
|
Y1 .5 .5 .5 .28 .28 .28 0 0 0 |
|
Cu1 0 0 0 .30 .30 .30 0 0 0 |
|
Cu2 0 0 .3551 .22 .22 .22 0 0 0 |
|
O1 0 0 .1594 .51 .51 .51 0 0 0 |
|
O2 .5 0 .3781 .40 .40 .40 0 0 0 |
|
O3 0 .5 .3774 .36 .36 .36 0 0 0 |
|
O4 .0225 .5 0 .455 .35 .35 .35 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Cu3 O6.91 Y |
| |
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P |
| |
Solid State Communications 66 (1988) 1117-1125 |
|
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7 |
|
by high resolution neutron powder diffraction |
|
_cod_database_code 1008386 |
|
_database_code_amcsd 0016295 |
|
3.8099 3.8789 11.6425 90 90 90 Pmmm |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ba1 .5 .5 .1846 .30 .30 .30 0 0 0 |
|
Y1 .5 .5 .5 .31 .31 .31 0 0 0 |
|
Cu1 0 0 0 .32 .32 .32 0 0 0 |
|
Cu2 0 0 .3551 .25 .25 .25 0 0 0 |
|
O1 0 0 .1595 .50 .50 .50 0 0 0 |
|
O2 .5 0 .3782 .38 .38 .38 0 0 0 |
|
O3 0 .5 .3773 .37 .37 .37 0 0 0 |
|
O4 .0209 .5 0 .455 .39 .39 .39 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Cu3 O6.91 Y |
| |
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P |
| |
Solid State Communications 66 (1988) 1117-1125 |
|
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7 |
|
by high resolution neutron powder diffraction |
|
_cod_database_code 1008387 |
|
_database_code_amcsd 0016296 |
|
3.8102 3.8791 11.6445 90 90 90 Pmmm |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ba1 .5 .5 .1842 .35 .35 .35 0 0 0 |
|
Y1 .5 .5 .5 .30 .30 .30 0 0 0 |
|
Cu1 0 0 0 .31 .31 .31 0 0 0 |
|
Cu2 0 0 .3550 .26 .26 .26 0 0 0 |
|
O1 0 0 .1593 .48 .48 .48 0 0 0 |
|
O2 .5 0 .3781 .39 .39 .39 0 0 0 |
|
O3 0 .5 .3775 .38 .38 .38 0 0 0 |
|
O4 .0254 .5 0 .455 .36 .36 .36 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Cu3 O6.91 Y |
| |
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P |
| |
Solid State Communications 66 (1988) 1117-1125 |
|
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7 |
|
by high resolution neutron powder diffraction |
|
_cod_database_code 1008388 |
|
_database_code_amcsd 0016297 |
|
3.8109 3.8793 11.6477 90 90 90 Pmmm |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ba1 .5 .5 .1841 .37 .37 .37 0 0 0 |
|
Y1 .5 .5 .5 .28 .28 .28 0 0 0 |
|
Cu1 0 0 0 .31 .31 .31 0 0 0 |
|
Cu2 0 0 .3549 .29 .29 .29 0 0 0 |
|
O1 0 0 .1589 .50 .50 .50 0 0 0 |
|
O2 .5 0 .3779 .41 .41 .41 0 0 0 |
|
O3 0 .5 .3776 .39 .39 .39 0 0 0 |
|
O4 .0249 .5 0 .455 .38 .38 .38 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Cu3 O6.91 Y |
| |
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P |
| |
Solid State Communications 66 (1988) 1117-1125 |
|
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7 |
|
by high resolution neutron powder diffraction |
|
_cod_database_code 1008389 |
|
_database_code_amcsd 0016298 |
|
3.8115 3.8795 11.6512 90 90 90 Pmmm |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ba1 .5 .5 .1842 .39 .39 .39 0 0 0 |
|
Y1 .5 .5 .5 .34 .34 .34 0 0 0 |
|
Cu1 0 0 0 .35 .35 .35 0 0 0 |
|
Cu2 0 0 .3553 .30 .30 .30 0 0 0 |
|
O1 0 0 .1591 .53 .53 .53 0 0 0 |
|
O2 .5 0 .3783 .42 .42 .42 0 0 0 |
|
O3 0 .5 .3774 .43 .43 .43 0 0 0 |
|
O4 .0271 .5 0 .455 .38 .38 .38 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Cu3 O6.91 Y |
| |
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P |
| |
Solid State Communications 66 (1988) 1117-1125 |
|
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7 |
|
by high resolution neutron powder diffraction |
|
_cod_database_code 1008390 |
|
_database_code_amcsd 0016299 |
|
3.8121 3.8798 11.6542 90 90 90 Pmmm |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ba1 .5 .5 .1843 .43 .43 .43 0 0 0 |
|
Y1 .5 .5 .5 .33 .33 .33 0 0 0 |
|
Cu1 0 0 0 .37 .37 .37 0 0 0 |
|
Cu2 0 0 .3552 .32 .32 .32 0 0 0 |
|
O1 0 0 .1591 .56 .56 .56 0 0 0 |
|
O2 .5 0 .3779 .43 .43 .43 0 0 0 |
|
O3 0 .5 .3778 .44 .44 .44 0 0 0 |
|
O4 .0278 .5 0 .455 .38 .38 .38 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Cu3 O6.91 Y |
| |
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P |
| |
Solid State Communications 66 (1988) 1117-1125 |
|
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7 |
|
by high resolution neutron powder diffraction |
|
_cod_database_code 1008391 |
|
_database_code_amcsd 0016300 |
|
3.8128 3.8802 11.6580 90 90 90 Pmmm |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ba1 .5 .5 .1842 .48 .48 .48 0 0 0 |
|
Y1 .5 .5 .5 .32 .32 .32 0 0 0 |
|
Cu1 0 0 0 .39 .39 .39 0 0 0 |
|
Cu2 0 0 .3551 .36 .36 .36 0 0 0 |
|
O1 0 0 .1591 .57 .57 .57 0 0 0 |
|
O2 .5 0 .3781 .45 .45 .45 0 0 0 |
|
O3 0 .5 .3777 .47 .47 .47 0 0 0 |
|
O4 .0307 .5 0 .455 .34 .34 .34 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Cu3 O6.91 Y |
| |
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P |
| |
Solid State Communications 66 (1988) 1117-1125 |
|
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7 |
|
by high resolution neutron powder diffraction |
|
_cod_database_code 1008392 |
|
_database_code_amcsd 0016301 |
|
3.8136 3.8806 11.6620 90 90 90 Pmmm |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ba1 .5 .5 .1842 .48 .48 .48 0 0 0 |
|
Y1 .5 .5 .5 .41 .41 .41 0 0 0 |
|
Cu1 0 0 0 .42 .42 .42 0 0 0 |
|
Cu2 0 0 .3552 .37 .37 .37 0 0 0 |
|
O1 0 0 .1591 .62 .62 .62 0 0 0 |
|
O2 .5 0 .3778 .49 .49 .49 0 0 0 |
|
O3 0 .5 .3781 .48 .48 .48 0 0 0 |
|
O4 .0321 .5 0 .455 .38 .38 .38 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Cu3 O6.91 Y |
| |
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P |
| |
Solid State Communications 66 (1988) 1117-1125 |
|
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7 |
|
by high resolution neutron powder diffraction |
|
_cod_database_code 1008393 |
|
_database_code_amcsd 0016302 |
|
3.8143 3.8812 11.6662 90 90 90 Pmmm |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ba1 .5 .5 .1841 .51 .51 .51 0 0 0 |
|
Y1 .5 .5 .5 .38 .38 .38 0 0 0 |
|
Cu1 0 0 0 .44 .44 .44 0 0 0 |
|
Cu2 0 0 .3552 .40 .40 .40 0 0 0 |
|
O1 0 0 .1590 .64 .64 .64 0 0 0 |
|
O2 .5 0 .3780 .52 .52 .52 0 0 0 |
|
O3 0 .5 .3778 .53 .53 .53 0 0 0 |
|
O4 .0313 .5 0 .455 .48 .48 .48 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Cu3 O6.91 Y |
| |
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P |
| |
Solid State Communications 66 (1988) 1117-1125 |
|
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7 |
|
by high resolution neutron powder diffraction |
|
_cod_database_code 1008394 |
|
_database_code_amcsd 0016303 |
|
3.8148 3.8815 11.6681 90 90 90 Pmmm |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ba1 .5 .5 .1848 .51 .51 .51 0 0 0 |
|
Y1 .5 .5 .5 .38 .38 .38 0 0 0 |
|
Cu1 0 0 0 .40 .40 .40 0 0 0 |
|
Cu2 0 0 .3551 .38 .38 .38 0 0 0 |
|
O1 0 0 .1588 .67 .67 .67 0 0 0 |
|
O2 .5 0 .3784 .56 .56 .56 0 0 0 |
|
O3 0 .5 .3777 .47 .47 .47 0 0 0 |
|
O4 .0307 .5 0 .455 .59 .59 .59 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Cu3 O6.91 Y |
| |
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P |
| |
Solid State Communications 66 (1988) 1117-1125 |
|
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7 |
|
by high resolution neutron powder diffraction |
|
_cod_database_code 1008395 |
|
_database_code_amcsd 0016304 |
|
3.8151 3.8817 11.6699 90 90 90 Pmmm |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ba1 .5 .5 .1843 .53 .53 .53 0 0 0 |
|
Y1 .5 .5 .5 .42 .42 .42 0 0 0 |
|
Cu1 0 0 0 .46 .46 .46 0 0 0 |
|
Cu2 0 0 .3551 .42 .42 .42 0 0 0 |
|
O1 0 0 .1590 .66 .66 .66 0 0 0 |
|
O2 .5 0 .3781 .53 .53 .53 0 0 0 |
|
O3 0 .5 .3780 .52 .52 .52 0 0 0 |
|
O4 .0336 .5 0 .455 .43 .43 .43 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Cu3 O6.91 Y |
| |
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P |
| |
Solid State Communications 66 (1988) 1117-1125 |
|
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7 |
|
by high resolution neutron powder diffraction |
|
_cod_database_code 1008396 |
|
_database_code_amcsd 0016305 |
|
3.8158 3.8822 11.6737 90 90 90 Pmmm |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ba1 .5 .5 .1847 .59 .59 .59 0 0 0 |
|
Y1 .5 .5 .5 .45 .45 .45 0 0 0 |
|
Cu1 0 0 0 .46 .46 .46 0 0 0 |
|
Cu2 0 0 .3552 .45 .45 .45 0 0 0 |
|
O1 0 0 .1588 .68 .68 .68 0 0 0 |
|
O2 .5 0 .3778 .56 .56 .56 0 0 0 |
|
O3 0 .5 .3778 .55 .55 .55 0 0 0 |
|
O4 .0342 .5 0 .455 .62 .62 .62 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Cu3 O6.91 Y |
| |
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P |
| |
Solid State Communications 66 (1988) 1117-1125 |
|
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7 |
|
by high resolution neutron powder diffraction |
|
_cod_database_code 1008397 |
|
_database_code_amcsd 0016306 |
|
3.8177 3.8836 11.6827 90 90 90 Pmmm |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ba1 .5 .5 .1844 .64 .64 .64 0 0 0 |
|
Y1 .5 .5 .5 .49 .49 .49 0 0 0 |
|
Cu1 0 0 0 .51 .51 .51 0 0 0 |
|
Cu2 0 0 .3552 .52 .52 .52 0 0 0 |
|
O1 0 0 .1588 .75 .75 .75 0 0 0 |
|
O2 .5 0 .3779 .62 .62 .62 0 0 0 |
|
O3 0 .5 .3780 .64 .64 .64 0 0 0 |
|
O4 .0356 .5 0 .455 .50 .50 .50 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Cu3 O6.91 Y |
| |
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P |
| |
Solid State Communications 66 (1988) 1117-1125 |
|
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7 |
|
by high resolution neutron powder diffraction |
|
_cod_database_code 1008398 |
|
_database_code_amcsd 0016307 |
|
3.8091 3.8788 11.6369 90 90 90 Pmmm |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ba1 .5 .5 .1845 .25 .25 .25 0 0 0 |
|
Y1 .5 .5 .5 .25 .25 .25 0 0 0 |
|
Cu1 0 0 0 .28 .28 .28 0 0 0 |
|
Cu2 0 0 .3552 .18 .18 .18 0 0 0 |
|
O1 0 0 .1595 .42 .42 .42 0 0 0 |
|
O2 .5 0 .3779 .37 .37 .37 0 0 0 |
|
O3 0 .5 .3772 .32 .32 .32 0 0 0 |
|
O4 0 .5 0 .91 .94 .25 .45 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Cu3 O6.91 Y |
| |
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P |
| |
Solid State Communications 66 (1988) 1117-1125 |
|
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7 |
|
by high resolution neutron powder diffraction |
|
_cod_database_code 1008399 |
|
_database_code_amcsd 0016308 |
|
3.8093 3.8787 11.6376 90 90 90 Pmmm |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ba1 .5 .5 .1841 .25 .25 .25 0 0 0 |
|
Y1 .5 .5 .5 .22 .22 .22 0 0 0 |
|
Cu1 0 0 0 .28 .28 .28 0 0 0 |
|
Cu2 0 0 .3548 .23 .23 .23 0 0 0 |
|
O1 0 0 .1595 .44 .44 .44 0 0 0 |
|
O2 .5 0 .3781 .35 .35 .35 0 0 0 |
|
O3 0 .5 .3774 .35 .35 .35 0 0 0 |
|
O4 0 .5 0 .91 .91 .18 .29 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Cu3 O6.91 Y |
| |
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P |
| |
Solid State Communications 66 (1988) 1117-1125 |
|
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7 |
|
by high resolution neutron powder diffraction |
|
_cod_database_code 1008400 |
|
_database_code_amcsd 0016309 |
|
3.8097 3.8788 11.6397 90 90 90 Pmmm |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ba1 .5 .5 .1841 .32 .32 .32 0 0 0 |
|
Y1 .5 .5 .5 .26 .26 .26 0 0 0 |
|
Cu1 0 0 0 .28 .28 .28 0 0 0 |
|
Cu2 0 0 .3550 .23 .23 .23 0 0 0 |
|
O1 0 0 .1594 .43 .43 .43 0 0 0 |
|
O2 .5 0 .3781 .38 .38 .38 0 0 0 |
|
O3 0 .5 .3775 .36 .36 .36 0 0 0 |
|
O4 0 .5 0 .91 .92 .18 .43 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Cu3 O6.91 Y |
| |
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P |
| |
Solid State Communications 66 (1988) 1117-1125 |
|
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7 |
|
by high resolution neutron powder diffraction |
|
_cod_database_code 1008401 |
|
_database_code_amcsd 0016310 |
|
3.8097 3.8788 11.6409 90 90 90 Pmmm |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ba1 .5 .5 .1841 .26 .26 .26 0 0 0 |
|
Y1 .5 .5 .5 .28 .28 .28 0 0 0 |
|
Cu1 0 0 0 .30 .30 .30 0 0 0 |
|
Cu2 0 0 .3551 .22 .22 .22 0 0 0 |
|
O1 0 0 .1594 .51 .51 .51 0 0 0 |
|
O2 .5 0 .3781 .40 .40 .40 0 0 0 |
|
O3 0 .5 .3774 .36 .36 .36 0 0 0 |
|
O4 0 .5 0 .91 .99 .31 .39 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Cu3 O6.91 Y |
| |
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P |
| |
Solid State Communications 66 (1988) 1117-1125 |
|
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7 |
|
by high resolution neutron powder diffraction |
|
_cod_database_code 1008402 |
|
_database_code_amcsd 0016311 |
|
3.8099 3.8789 11.6425 90 90 90 Pmmm |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ba1 .5 .5 .1846 .30 .30 .30 0 0 0 |
|
Y1 .5 .5 .5 .31 .31 .31 0 0 0 |
|
Cu1 0 0 0 .32 .32 .32 0 0 0 |
|
Cu2 0 0 .3551 .25 .25 .25 0 0 0 |
|
O1 0 0 .1595 .50 .50 .50 0 0 0 |
|
O2 .5 0 .3782 .38 .38 .38 0 0 0 |
|
O3 0 .5 .3773 .37 .37 .37 0 0 0 |
|
O4 0 .5 0 .91 .95 .32 .45 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Cu3 O6.91 Y |
| |
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P |
| |
Solid State Communications 66 (1988) 1117-1125 |
|
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7 |
|
by high resolution neutron powder diffraction |
|
_cod_database_code 1008403 |
|
_database_code_amcsd 0016312 |
|
3.8102 3.8791 11.6445 90 90 90 Pmmm |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ba1 .5 .5 .1842 .35 .35 .35 0 0 0 |
|
Y1 .5 .5 .5 .30 .30 .30 0 0 0 |
|
Cu1 0 0 0 .31 .31 .31 0 0 0 |
|
Cu2 0 0 .3550 .26 .26 .26 0 0 0 |
|
O1 0 0 .1593 .48 .48 .48 0 0 0 |
|
O2 .5 0 .3781 .39 .39 .39 0 0 0 |
|
O3 0 .5 .3775 .38 .38 .38 0 0 0 |
|
O4 0 .5 0 .91 1.17 .15 .57 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Cu3 O6.91 Y |
| |
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P |
| |
Solid State Communications 66 (1988) 1117-1125 |
|
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7 |
|
by high resolution neutron powder diffraction |
|
_cod_database_code 1008404 |
|
_database_code_amcsd 0016313 |
|
3.8109 3.8793 11.6477 90 90 90 Pmmm |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ba1 .5 .5 .1841 .37 .37 .37 0 0 0 |
|
Y1 .5 .5 .5 .28 .28 .28 0 0 0 |
|
Cu1 0 0 0 .31 .31 .31 0 0 0 |
|
Cu2 0 0 .3549 .29 .29 .29 0 0 0 |
|
O1 0 0 .1589 .50 .50 .50 0 0 0 |
|
O2 .5 0 .3779 .41 .41 .41 0 0 0 |
|
O3 0 .5 .3776 .39 .39 .39 0 0 0 |
|
O4 0 .5 0 .91 1.14 .12 .68 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Cu3 O6.91 Y |
| |
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P |
| |
Solid State Communications 66 (1988) 1117-1125 |
|
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7 |
|
by high resolution neutron powder diffraction |
|
_cod_database_code 1008405 |
|
_database_code_amcsd 0016314 |
|
3.8115 3.8795 11.6512 90 90 90 Pmmm |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ba1 .5 .5 .1842 .39 .39 .39 0 0 0 |
|
Y1 .5 .5 .5 .34 .34 .34 0 0 0 |
|
Cu1 0 0 0 .35 .35 .35 0 0 0 |
|
Cu2 0 0 .3553 .30 .30 .30 0 0 0 |
|
O1 0 0 .1591 .53 .53 .53 0 0 0 |
|
O2 .5 0 .3783 .42 .42 .42 0 0 0 |
|
O3 0 .5 .3774 .43 .43 .43 0 0 0 |
|
O4 0 .5 0 .91 1.37 .30 .43 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Cu3 O6.91 Y |
| |
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P |
| |
Solid State Communications 66 (1988) 1117-1125 |
|
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7 |
|
by high resolution neutron powder diffraction |
|
_cod_database_code 1008406 |
|
_database_code_amcsd 0016315 |
|
3.8121 3.8798 11.6542 90 90 90 Pmmm |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ba1 .5 .5 .1843 .43 .43 .43 0 0 0 |
|
Y1 .5 .5 .5 .33 .33 .33 0 0 0 |
|
Cu1 0 0 0 .37 .37 .37 0 0 0 |
|
Cu2 0 0 .3552 .32 .32 .32 0 0 0 |
|
O1 0 0 .1591 .56 .56 .56 0 0 0 |
|
O2 .5 0 .3779 .43 .43 .43 0 0 0 |
|
O3 0 .5 .3778 .44 .44 .44 0 0 0 |
|
O4 0 .5 0 .91 1.39 .12 .64 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Cu3 O6.91 Y |
| |
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P |
| |
Solid State Communications 66 (1988) 1117-1125 |
|
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7 |
|
by high resolution neutron powder diffraction |
|
_cod_database_code 1008407 |
|
_database_code_amcsd 0016316 |
|
3.8128 3.8802 11.6580 90 90 90 Pmmm |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ba1 .5 .5 .1842 .48 .48 .48 0 0 0 |
|
Y1 .5 .5 .5 .32 .32 .32 0 0 0 |
|
Cu1 0 0 0 .39 .39 .39 0 0 0 |
|
Cu2 0 0 .3551 .36 .36 .36 0 0 0 |
|
O1 0 0 .1591 .57 .57 .57 0 0 0 |
|
O2 .5 0 .3781 .45 .45 .45 0 0 0 |
|
O3 0 .5 .3777 .47 .47 .47 0 0 0 |
|
O4 0 .5 0 .91 1.66 .16 .48 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Cu3 O6.91 Y |
| |
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P |
| |
Solid State Communications 66 (1988) 1117-1125 |
|
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7 |
|
by high resolution neutron powder diffraction |
|
_cod_database_code 1008408 |
|
_database_code_amcsd 0016317 |
|
3.8136 3.8806 11.6620 90 90 90 Pmmm |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ba1 .5 .5 .1842 .48 .48 .48 0 0 0 |
|
Y1 .5 .5 .5 .41 .41 .41 0 0 0 |
|
Cu1 0 0 0 .42 .42 .42 0 0 0 |
|
Cu2 0 0 .3552 .37 .37 .37 0 0 0 |
|
O1 0 0 .1591 .62 .62 .62 0 0 0 |
|
O2 .5 0 .3778 .49 .49 .49 0 0 0 |
|
O3 0 .5 .3781 .48 .48 .48 0 0 0 |
|
O4 0 .5 0 .91 1.83 .15 .59 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Cu3 O6.91 Y |
| |
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P |
| |
Solid State Communications 66 (1988) 1117-1125 |
|
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7 |
|
by high resolution neutron powder diffraction |
|
_cod_database_code 1008409 |
|
_database_code_amcsd 0016318 |
|
3.8143 3.8812 11.6662 90 90 90 Pmmm |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ba1 .5 .5 .1841 .51 .51 .51 0 0 0 |
|
Y1 .5 .5 .5 .38 .38 .38 0 0 0 |
|
Cu1 0 0 0 .44 .44 .44 0 0 0 |
|
Cu2 0 0 .3552 .40 .40 .40 0 0 0 |
|
O1 0 0 .1590 .64 .64 .64 0 0 0 |
|
O2 .5 0 .3780 .52 .52 .52 0 0 0 |
|
O3 0 .5 .3778 .53 .53 .53 0 0 0 |
|
O4 0 .5 0 .91 1.82 .21 .77 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Cu3 O6.91 Y |
| |
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P |
| |
Solid State Communications 66 (1988) 1117-1125 |
|
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7 |
|
by high resolution neutron powder diffraction |
|
_cod_database_code 1008410 |
|
_database_code_amcsd 0016319 |
|
3.8148 3.8815 11.6681 90 90 90 Pmmm |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ba1 .5 .5 .1848 .51 .51 .51 0 0 0 |
|
Y1 .5 .5 .5 .38 .38 .38 0 0 0 |
|
Cu1 0 0 0 .40 .40 .40 0 0 0 |
|
Cu2 0 0 .3551 .38 .38 .38 0 0 0 |
|
O1 0 0 .1588 .67 .67 .67 0 0 0 |
|
O2 .5 0 .3784 .56 .56 .56 0 0 0 |
|
O3 0 .5 .3777 .47 .47 .47 0 0 0 |
|
O4 0 .5 0 .91 1.68 .30 .88 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Cu3 O6.91 Y |
| |
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P |
| |
Solid State Communications 66 (1988) 1117-1125 |
|
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7 |
|
by high resolution neutron powder diffraction |
|
_cod_database_code 1008411 |
|
_database_code_amcsd 0016320 |
|
3.8151 3.8817 11.6699 90 90 90 Pmmm |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ba1 .5 .5 .1843 .53 .53 .53 0 0 0 |
|
Y1 .5 .5 .5 .42 .42 .42 0 0 0 |
|
Cu1 0 0 0 .46 .46 .46 0 0 0 |
|
Cu2 0 0 .3551 .42 .42 .42 0 0 0 |
|
O1 0 0 .1590 .66 .66 .66 0 0 0 |
|
O2 .5 0 .3781 .53 .53 .53 0 0 0 |
|
O3 0 .5 .3780 .52 .52 .52 0 0 0 |
|
O4 0 .5 0 .91 2.05 .13 .73 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Cu3 O6.91 Y |
| |
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P |
| |
Solid State Communications 66 (1988) 1117-1125 |
|
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7 |
|
by high resolution neutron powder diffraction |
|
_cod_database_code 1008412 |
|
_database_code_amcsd 0016321 |
|
3.8158 3.8822 11.6737 90 90 90 Pmmm |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ba1 .5 .5 .1847 .59 .59 .59 0 0 0 |
|
Y1 .5 .5 .5 .45 .45 .45 0 0 0 |
|
Cu1 0 0 0 .46 .46 .46 0 0 0 |
|
Cu2 0 0 .3552 .45 .45 .45 0 0 0 |
|
O1 0 0 .1588 .68 .68 .68 0 0 0 |
|
O2 .5 0 .3778 .56 .56 .56 0 0 0 |
|
O3 0 .5 .3778 .55 .55 .55 0 0 0 |
|
O4 0 .5 0 .91 2.25 .29 .98 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Cu3 O6.91 Y |
| |
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P |
| |
Solid State Communications 66 (1988) 1117-1125 |
|
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7 |
|
by high resolution neutron powder diffraction |
|
_cod_database_code 1008413 |
|
_database_code_amcsd 0016322 |
|
3.8177 3.8836 11.6827 90 90 90 Pmmm |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ba1 .5 .5 .1844 .64 .64 .64 0 0 0 |
|
Y1 .5 .5 .5 .49 .49 .49 0 0 0 |
|
Cu1 0 0 0 .51 .51 .51 0 0 0 |
|
Cu2 0 0 .3552 .52 .52 .52 0 0 0 |
|
O1 0 0 .1588 .75 .75 .75 0 0 0 |
|
O2 .5 0 .3779 .62 .62 .62 0 0 0 |
|
O3 0 .5 .3780 .64 .64 .64 0 0 0 |
|
O4 0 .5 0 .91 2.40 .17 .78 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Cu3 O6.86 Y |
| |
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P |
| |
Solid State Communications 66 (1988) 1117-1125 |
|
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7 |
|
by high resolution neutron powder diffraction |
|
_cod_database_code 1008414 |
|
_database_code_amcsd 0016323 |
|
3.8103 3.8789 11.6287 90 90 90 Pmmm |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ba1 .5 .5 .1849 .27 .27 .27 0 0 0 |
|
Y1 .5 .5 .5 .29 .29 .29 0 0 0 |
|
Cu1 0 0 0 .36 .36 .36 0 0 0 |
|
Cu2 0 0 .3555 .22 .22 .22 0 0 0 |
|
O1 0 0 .1597 .51 .51 .51 0 0 0 |
|
O2 .5 0 .3781 .37 .37 .37 0 0 0 |
|
O3 0 .5 .3771 .37 .37 .37 0 0 0 |
|
O4 .0265 .5 0 .43 .22 .22 .22 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Cu3 O6.86 Y |
| |
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P |
| |
Solid State Communications 66 (1988) 1117-1125 |
|
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7 |
|
by high resolution neutron powder diffraction |
|
_cod_database_code 1008415 |
|
_database_code_amcsd 0016324 |
|
3.8108 3.8789 11.6328 90 90 90 Pmmm |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ba1 .5 .5 .1851 .32 .32 .32 0 0 0 |
|
Y1 .5 .5 .5 .33 .33 .33 0 0 0 |
|
Cu1 0 0 0 .38 .38 .38 0 0 0 |
|
Cu2 0 0 .3555 .25 .25 .25 0 0 0 |
|
O1 0 0 .1598 .53 .53 .53 0 0 0 |
|
O2 .5 0 .3781 .38 .38 .38 0 0 0 |
|
O3 0 .5 .3773 .40 .40 .40 0 0 0 |
|
O4 .0279 .5 0 .43 .24 .24 .24 0 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ba2 Cu3 O6.86 Y |
| |
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P |
| |
Solid State Communications 66 (1988) 1117-1125 |
|
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7 |
|
by high resolution neutron powder diffraction |
|
_cod_database_code 1008416 |
|
_database_code_amcsd 0016325 |
|
3.8114 3.8792 11.6373 90 90 90 Pmmm |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ba1 .5 .5 .1851 .36 .36 .36 0 0 0 |
|
Y1 .5 .5 .5 .34 .34 .34 0 0 0 |
|
Cu1 0 0 0 .42 .42 .42 0 0 0 |
|
Cu2 0 0 .3556 .26 .26 .26 0 0 0 |
|
O1 0 0 .1596 .55 .55 .55 0 0 0 |
|
O2 .5 0 .3780 .41 .41 .41 0 0 0 |
|
O3 0 .5 .3774 .41 .41 .41 0 0 0 |
|
O4 .0286 .5 0 .43 .29 .29 .29 0 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ba2 Cu3 O6.86 Y |
| |
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P |
| |
Solid State Communications 66 (1988) 1117-1125 |
|
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7 |
|
by high resolution neutron powder diffraction |
|
_cod_database_code 1008417 |
|
_database_code_amcsd 0016326 |
|
3.8142 3.8807 11.6527 90 90 90 Pmmm |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ba1 .5 .5 .1853 .49 .49 .49 0 0 0 |
|
Y1 .5 .5 .5 .42 .42 .42 0 0 0 |
|
Cu1 0 0 0 .49 .49 .49 0 0 0 |
|
Cu2 0 0 .3559 .37 .37 .37 0 0 0 |
|
O1 0 0 .1596 .67 .67 .67 0 0 0 |
|
O2 .5 0 .3781 .52 .52 .52 0 0 0 |
|
O3 0 .5 .3775 .52 .52 .52 0 0 0 |
|
O4 .0343 .5 0 .43 .38 .38 .38 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Cu3 O6.86 Y |
| |
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P |
| |
Solid State Communications 66 (1988) 1117-1125 |
|
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7 |
|
by high resolution neutron powder diffraction |
|
_cod_database_code 1008418 |
|
_database_code_amcsd 0016327 |
|
3.8180 3.8835 11.6726 90 90 90 Pmmm |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ba1 .5 .5 .1857 .65 .65 .65 0 0 0 |
|
Y1 .5 .5 .5 .54 .54 .54 0 0 0 |
|
Cu1 0 0 0 .59 .59 .59 0 0 0 |
|
Cu2 0 0 .3560 .50 .50 .50 0 0 0 |
|
O1 0 0 .1592 .80 .80 .80 0 0 0 |
|
O2 .5 0 .3782 .65 .65 .65 0 0 0 |
|
O3 0 .5 .3777 .62 .62 .62 0 0 0 |
|
O4 .0377 .5 0 .43 .58 .58 .58 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Cu3 O6.86 Y |
| |
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P |
| |
Solid State Communications 66 (1988) 1117-1125 |
|
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7 |
|
by high resolution neutron powder diffraction |
|
_cod_database_code 1008419 |
|
_database_code_amcsd 0016328 |
|
3.8103 3.8789 11.6287 90 90 90 Pmmm |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ba1 .5 .5 .1849 .27 .27 .27 0 0 0 |
|
Y1 .5 .5 .5 .29 .29 .29 0 0 0 |
|
Cu1 0 0 0 .36 .36 .36 0 0 0 |
|
Cu2 0 0 .3555 .22 .22 .22 0 0 0 |
|
O1 0 0 .1597 .51 .51 .51 0 0 0 |
|
O2 .5 0 .3781 .37 .37 .37 0 0 0 |
|
O3 0 .5 .3771 .37 .37 .37 0 0 0 |
|
O4 0 .5 0 .86 1.18 .18 .21 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Cu3 O6.86 Y |
| |
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P |
| |
Solid State Communications 66 (1988) 1117-1125 |
|
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7 |
|
by high resolution neutron powder diffraction |
|
_cod_database_code 1008420 |
|
_database_code_amcsd 0016329 |
|
3.8108 3.8789 11.6328 90 90 90 Pmmm |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ba1 .5 .5 .1851 .32 .32 .32 0 0 0 |
|
Y1 .5 .5 .5 .33 .33 .33 0 0 0 |
|
Cu1 0 0 0 .38 .38 .38 0 0 0 |
|
Cu2 0 0 .3555 .25 .25 .25 0 0 0 |
|
O1 0 0 .1598 .53 .53 .53 0 0 0 |
|
O2 .5 0 .3781 .38 .38 .38 0 0 0 |
|
O3 0 .5 .3773 .40 .40 .40 0 0 0 |
|
O4 0 .5 0 .86 1.32 .18 .24 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Cu3 O6.86 Y |
| |
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P |
| |
Solid State Communications 66 (1988) 1117-1125 |
|
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7 |
|
by high resolution neutron powder diffraction |
|
_cod_database_code 1008421 |
|
_database_code_amcsd 0016330 |
|
3.8114 3.8792 11.6373 90 90 90 Pmmm |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ba1 .5 .5 .1851 .36 .36 .36 0 0 0 |
|
Y1 .5 .5 .5 .34 .34 .34 0 0 0 |
|
Cu1 0 0 0 .42 .42 .42 0 0 0 |
|
Cu2 0 0 .3556 .26 .26 .26 0 0 0 |
|
O1 0 0 .1596 .55 .55 .55 0 0 0 |
|
O2 .5 0 .3780 .41 .41 .41 0 0 0 |
|
O3 0 .5 .3774 .41 .41 .41 0 0 0 |
|
O4 0 .5 0 .86 1.42 .18 .35 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Cu3 O6.86 Y |
| |
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P |
| |
Solid State Communications 66 (1988) 1117-1125 |
|
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7 |
|
by high resolution neutron powder diffraction |
|
_cod_database_code 1008422 |
|
_database_code_amcsd 0016331 |
|
3.8142 3.8807 11.6527 90 90 90 Pmmm |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ba1 .5 .5 .1853 .49 .49 .49 0 0 0 |
|
Y1 .5 .5 .5 .42 .42 .42 0 0 0 |
|
Cu1 0 0 0 .49 .49 .49 0 0 0 |
|
Cu2 0 0 .3559 .37 .37 .37 0 0 0 |
|
O1 0 0 .1596 .67 .67 .67 0 0 0 |
|
O2 .5 0 .3781 .52 .52 .52 0 0 0 |
|
O3 0 .5 .3775 .52 .52 .52 0 0 0 |
|
O4 0 .5 0 .86 2.22 .31 .33 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Cu3 O6.86 Y |
| |
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P |
| |
Solid State Communications 66 (1988) 1117-1125 |
|
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7 |
|
by high resolution neutron powder diffraction |
|
_cod_database_code 1008423 |
|
_database_code_amcsd 0016332 |
|
3.8180 3.8835 11.6726 90 90 90 Pmmm |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ba1 .5 .5 .1857 .65 .65 .65 0 0 0 |
|
Y1 .5 .5 .5 .54 .54 .54 0 0 0 |
|
Cu1 0 0 0 .59 .59 .59 0 0 0 |
|
Cu2 0 0 .3560 .50 .50 .50 0 0 0 |
|
O1 0 0 .1592 .80 .80 .80 0 0 0 |
|
O2 .5 0 .3782 .65 .65 .65 0 0 0 |
|
O3 0 .5 .3777 .62 .62 .62 0 0 0 |
|
O4 0 .5 0 .86 2.92 .40 .59 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fe21.34 Li9.28 O32 |
| |
Pernet M, Strobel P, Bonnet B, Bordet P, Chabre Y |
| |
Solid State Ionics 66 (1993) 259-265 |
|
Structural and electrochemical study of lithium insertion into gamma-Fe2O3 |
|
_cod_database_code 1008636 |
|
_database_code_amcsd 0016525 |
|
8.4325 8.4325 8.4325 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
Fe1 .5 .5 .5 .894 |
|
Li1 .5 .5 .5 .106 |
|
Fe2 0 0 0 .368 |
|
Li2 0 0 0 .474 |
|
Fe3 .125 .125 .125 .143 |
|
O3 .2539 .2539 .2539 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fe21.33 Li9.07 O32 |
| |
Pernet M, Strobel P, Bonnet B, Bordet P, Chabre Y |
| |
Solid State Ionics 66 (1993) 259-265 |
|
Structural and electrochemical study of lithium insertion into gamma-Fe2O3 |
|
_cod_database_code 1008637 |
|
_database_code_amcsd 0016526 |
|
8.4328 8.4328 8.4328 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
Fe1 .5 .5 .5 .919 |
|
Li1 .5 .5 .5 .081 |
|
Fe2 0 0 0 .363 |
|
Li2 0 0 0 .486 |
|
Fe3 .125 .125 .125 .103 |
|
O3 .2528 .2528 .2528 |
|
|
| 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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