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Ca4Al2H22O20 |
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Francois M, Renaudin G, Evrard O |
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Acta Crystallographica C54 (1998) 1214-1217 |
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A cementitious compound with composition 3CaO*Al2O3*CaCO3*11H2O |
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_cod_database_code 1000459 |
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_database_code_amcsd 0010316 |
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5.7747 8.4689 9.923 64.77 82.75 81.43 P1 |
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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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Ca1 .51859 .12026 .80513 .0079 .0099 .0069 .0001 -.0027 -.0012 |
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Ca2 .47978 .88820 .19288 .0077 .0095 .0071 -.0011 -.0018 -.0009 |
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Ca3 .01418 .62138 .30979 .0078 .0098 .0070 -.0002 -.0029 -.0011 |
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Ca4 .97700 .38122 .69525 .0081 .0096 .0069 -.0011 -.0021 -.0007 |
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Al1 0 .00021 -.00018 .0061 .0077 .0050 -.0002 -.0021 -.0012 |
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Al2 .4929 .50613 .50349 .0066 .0074 .0051 -.0002 -.0018 -.0010 |
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O1 .1537 .2112 .9215 .012 .0098 .0097 -.0024 -.0019 -.0042 |
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O2 .8474 .7896 .0808 .0112 .0099 .0078 -.0019 -.0026 -.0035 |
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O3 .3064 .8910 .9790 .0089 .0102 .0115 .0016 -.0032 -.0047 |
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O4 .6953 .1150 .0185 .0089 .0093 .0115 .0003 -.0021 -.0042 |
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O5 .3452 .2925 .5784 .0109 .0102 .0076 -.0015 -.0033 -.0035 |
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O6 .6416 .7186 .4259 .0129 .0111 .0091 -.0023 -.0022 -.0036 |
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O7 .7985 .3945 .4857 .0094 .0101 .0080 .0012 -.0028 -.0040 |
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O8 .1862 .6129 .5262 .0088 .009 .0099 .0000 -.0014 -.0027 |
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O9 .0678 .9336 .2025 .0101 .0108 .0069 -.0005 -.0027 -.0034 |
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O10 .9301 .0676 .7998 .0106 .0136 .0052 .0019 -.0026 -.0040 |
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O11 .4271 .5743 .3012 .0107 .012 .0052 .0018 -.0024 -.0035 |
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O12 .5640 .4347 .7062 .0106 .0125 .0067 -.0007 -.0023 -.0035 |
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O13 .5887 .9018 .6866 .0261 .0288 .0318 .0032 -.0090 -.0159 |
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O14 .4084 .1055 .3088 .0207 .0196 .0243 -.004 -.0017 -.0110 |
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O15 .9112 .6001 .8143 .0253 .0226 .0225 -.0053 .0006 -.0096 |
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O16 .3436 .5562 .9531 .0242 .0306 .0243 .0005 -.0047 -.0132 |
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O17 .1221 .9433 .5596 .0405 .0269 .0250 -.0003 -.0042 -.0127 |
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O18 .7565 .4126 .0904 .0261 .0298 .0232 -.0010 -.0092 -.0085 |
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O19 .0767 .3952 .2037 .0138 .0203 .0233 -.0028 -.0042 -.0094 |
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O20 .8248 .1929 .3118 .0206 .0226 .0236 -.0042 -.0023 -.0122 |
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C1 .8852 .3334 .2016 .0127 .0171 .0175 .0020 -.0020 -.0126 |
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H1 .181 .241 .992 |
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H2 .842 .719 .032 |
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H3 .309 .807 .942 |
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H4 .690 .218 .022 |
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H5 .347 .225 .526 |
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H6 .664 .746 .503 |
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H7 .798 .314 .445 |
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H8 .173 .724 .519 |
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H9 .004 .968 .277 |
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H10 .025 .005 .755 |
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H11 .502 .499 .268 |
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H12 .504 .468 .782 |
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H13 .676 .798 .736 |
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H14 .430 .853 .695 |
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H15 .308 .205 .268 |
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H16 .543 .143 .313 |
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H17 .049 .627 .817 |
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H18 .872 .534 .914 |
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H19 .490 .490 .996 |
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H20 .233 .496 .032 |
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H21 -.022 .983 .519 |
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H22 .241 .988 .488 |
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| Download AMC data (View Text File)
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Cu La1.85 O4 Sr0.15 |
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Decroux M, Junod A, Bezinge A, Cattani D, Cors J, Jorda L, Stettler A, |
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Francois M, Yvon K, Fischer O, Muller J |
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Europhysics Letters 3 (1987) 1035-1040 |
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Structure, Resistivity, Critical Field, Specific-Heat Jump at Tc, |
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Meissner Effect, a.c. and d.c. Susceptibility of the High-Temperature |
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Superconductor La2-x Srx Cu O4. |
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_cod_database_code 1008481 |
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_database_code_amcsd 0016380 |
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3.7793 3.7793 13.200 90 90 90 I4/mmm |
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atom x y z occ |
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La1 0 0 .3609 .925 |
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Sr1 0 0 .3609 .075 |
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Cu1 0 0 0 |
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O1 0 .5 0 |
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O2 0 0 .184 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Ba2 Cu3 O6.91 Y |
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Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P |
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Solid State Communications 66 (1988) 1117-1125 |
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A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7 |
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by high resolution neutron powder diffraction |
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_cod_database_code 1008382 |
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_database_code_amcsd 0016291 |
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3.8091 3.8788 11.6369 90 90 90 Pmmm |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ba1 .5 .5 .1845 .25 .25 .25 0 0 0 |
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Y1 .5 .5 .5 .25 .25 .25 0 0 0 |
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Cu1 0 0 0 .28 .28 .28 0 0 0 |
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Cu2 0 0 .3552 .18 .18 .18 0 0 0 |
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O1 0 0 .1595 .42 .42 .42 0 0 0 |
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O2 .5 0 .3779 .37 .37 .37 0 0 0 |
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O3 0 .5 .3772 .32 .32 .32 0 0 0 |
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O4 .0219 .5 0 .455 .35 .35 .35 0 0 0 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Ba2 Cu3 O6.91 Y |
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Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P |
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Solid State Communications 66 (1988) 1117-1125 |
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A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7 |
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by high resolution neutron powder diffraction |
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_cod_database_code 1008383 |
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_database_code_amcsd 0016292 |
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3.8093 3.8787 11.6376 90 90 90 Pmmm |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ba1 .5 .5 .1841 .25 .25 .25 0 0 0 |
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Y1 .5 .5 .5 .22 .22 .22 0 0 0 |
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Cu1 0 0 0 .28 .28 .28 0 0 0 |
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Cu2 0 0 .3548 .23 .23 .23 0 0 0 |
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O1 0 0 .1595 .44 .44 .44 0 0 0 |
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O2 .5 0 .3781 .35 .35 .35 0 0 0 |
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O3 0 .5 .3774 .35 .35 .35 0 0 0 |
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O4 .0228 .5 0 .455 .24 .24 .24 0 0 0 |
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| Download AMC data (View Text File)
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Ba2 Cu3 O6.91 Y |
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Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P |
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Solid State Communications 66 (1988) 1117-1125 |
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A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7 |
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by high resolution neutron powder diffraction |
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_cod_database_code 1008384 |
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_database_code_amcsd 0016293 |
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3.8097 3.8788 11.6397 90 90 90 Pmmm |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ba1 .5 .5 .1841 .32 .32 .32 0 0 0 |
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Y1 .5 .5 .5 .26 .26 .26 0 0 0 |
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Cu1 0 0 0 .28 .28 .28 0 0 0 |
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Cu2 0 0 .3550 .23 .23 .23 0 0 0 |
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O1 0 0 .1594 .43 .43 .43 0 0 0 |
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O2 .5 0 .3781 .38 .38 .38 0 0 0 |
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O3 0 .5 .3775 .36 .36 .36 0 0 0 |
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O4 .0223 .5 0 .455 .30 .30 .30 0 0 0 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
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Ba2 Cu3 O6.91 Y |
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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 |
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by high resolution neutron powder diffraction |
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_cod_database_code 1008385 |
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_database_code_amcsd 0016294 |
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3.8097 3.8788 11.6409 90 90 90 Pmmm |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ba1 .5 .5 .1841 .26 .26 .26 0 0 0 |
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Y1 .5 .5 .5 .28 .28 .28 0 0 0 |
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Cu1 0 0 0 .30 .30 .30 0 0 0 |
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Cu2 0 0 .3551 .22 .22 .22 0 0 0 |
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O1 0 0 .1594 .51 .51 .51 0 0 0 |
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O2 .5 0 .3781 .40 .40 .40 0 0 0 |
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O3 0 .5 .3774 .36 .36 .36 0 0 0 |
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O4 .0225 .5 0 .455 .35 .35 .35 0 0 0 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
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Ba2 Cu3 O6.91 Y |
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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 |
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by high resolution neutron powder diffraction |
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_cod_database_code 1008386 |
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_database_code_amcsd 0016295 |
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3.8099 3.8789 11.6425 90 90 90 Pmmm |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ba1 .5 .5 .1846 .30 .30 .30 0 0 0 |
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Y1 .5 .5 .5 .31 .31 .31 0 0 0 |
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Cu1 0 0 0 .32 .32 .32 0 0 0 |
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Cu2 0 0 .3551 .25 .25 .25 0 0 0 |
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O1 0 0 .1595 .50 .50 .50 0 0 0 |
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O2 .5 0 .3782 .38 .38 .38 0 0 0 |
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O3 0 .5 .3773 .37 .37 .37 0 0 0 |
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O4 .0209 .5 0 .455 .39 .39 .39 0 0 0 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
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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 |
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by high resolution neutron powder diffraction |
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_cod_database_code 1008387 |
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_database_code_amcsd 0016296 |
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3.8102 3.8791 11.6445 90 90 90 Pmmm |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ba1 .5 .5 .1842 .35 .35 .35 0 0 0 |
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Y1 .5 .5 .5 .30 .30 .30 0 0 0 |
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Cu1 0 0 0 .31 .31 .31 0 0 0 |
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Cu2 0 0 .3550 .26 .26 .26 0 0 0 |
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O1 0 0 .1593 .48 .48 .48 0 0 0 |
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O2 .5 0 .3781 .39 .39 .39 0 0 0 |
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O3 0 .5 .3775 .38 .38 .38 0 0 0 |
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O4 .0254 .5 0 .455 .36 .36 .36 0 0 0 |
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| Download AMC data (View Text File)
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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 |
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_database_code_amcsd 0016297 |
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3.8109 3.8793 11.6477 90 90 90 Pmmm |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ba1 .5 .5 .1841 .37 .37 .37 0 0 0 |
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Y1 .5 .5 .5 .28 .28 .28 0 0 0 |
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Cu1 0 0 0 .31 .31 .31 0 0 0 |
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Cu2 0 0 .3549 .29 .29 .29 0 0 0 |
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O1 0 0 .1589 .50 .50 .50 0 0 0 |
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O2 .5 0 .3779 .41 .41 .41 0 0 0 |
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O3 0 .5 .3776 .39 .39 .39 0 0 0 |
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O4 .0249 .5 0 .455 .38 .38 .38 0 0 0 |
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|
| Download AMC data (View Text File)
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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 |
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_cod_database_code 1008389 |
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_database_code_amcsd 0016298 |
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3.8115 3.8795 11.6512 90 90 90 Pmmm |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ba1 .5 .5 .1842 .39 .39 .39 0 0 0 |
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Y1 .5 .5 .5 .34 .34 .34 0 0 0 |
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Cu1 0 0 0 .35 .35 .35 0 0 0 |
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Cu2 0 0 .3553 .30 .30 .30 0 0 0 |
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O1 0 0 .1591 .53 .53 .53 0 0 0 |
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O2 .5 0 .3783 .42 .42 .42 0 0 0 |
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O3 0 .5 .3774 .43 .43 .43 0 0 0 |
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O4 .0271 .5 0 .455 .38 .38 .38 0 0 0 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
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|
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 |
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_database_code_amcsd 0016299 |
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3.8121 3.8798 11.6542 90 90 90 Pmmm |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ba1 .5 .5 .1843 .43 .43 .43 0 0 0 |
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Y1 .5 .5 .5 .33 .33 .33 0 0 0 |
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Cu1 0 0 0 .37 .37 .37 0 0 0 |
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Cu2 0 0 .3552 .32 .32 .32 0 0 0 |
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O1 0 0 .1591 .56 .56 .56 0 0 0 |
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O2 .5 0 .3779 .43 .43 .43 0 0 0 |
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O3 0 .5 .3778 .44 .44 .44 0 0 0 |
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O4 .0278 .5 0 .455 .38 .38 .38 0 0 0 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
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|
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 |
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_database_code_amcsd 0016300 |
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3.8128 3.8802 11.6580 90 90 90 Pmmm |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ba1 .5 .5 .1842 .48 .48 .48 0 0 0 |
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Y1 .5 .5 .5 .32 .32 .32 0 0 0 |
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Cu1 0 0 0 .39 .39 .39 0 0 0 |
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Cu2 0 0 .3551 .36 .36 .36 0 0 0 |
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O1 0 0 .1591 .57 .57 .57 0 0 0 |
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O2 .5 0 .3781 .45 .45 .45 0 0 0 |
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O3 0 .5 .3777 .47 .47 .47 0 0 0 |
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O4 .0307 .5 0 .455 .34 .34 .34 0 0 0 |
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|
| Download AMC data (View Text File)
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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 |
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3.8136 3.8806 11.6620 90 90 90 Pmmm |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ba1 .5 .5 .1842 .48 .48 .48 0 0 0 |
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Y1 .5 .5 .5 .41 .41 .41 0 0 0 |
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Cu1 0 0 0 .42 .42 .42 0 0 0 |
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Cu2 0 0 .3552 .37 .37 .37 0 0 0 |
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O1 0 0 .1591 .62 .62 .62 0 0 0 |
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O2 .5 0 .3778 .49 .49 .49 0 0 0 |
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O3 0 .5 .3781 .48 .48 .48 0 0 0 |
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O4 .0321 .5 0 .455 .38 .38 .38 0 0 0 |
|
|
| Download AMC data (View Text File)
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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 |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ba1 .5 .5 .1841 .51 .51 .51 0 0 0 |
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Y1 .5 .5 .5 .38 .38 .38 0 0 0 |
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Cu1 0 0 0 .44 .44 .44 0 0 0 |
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Cu2 0 0 .3552 .40 .40 .40 0 0 0 |
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O1 0 0 .1590 .64 .64 .64 0 0 0 |
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O2 .5 0 .3780 .52 .52 .52 0 0 0 |
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O3 0 .5 .3778 .53 .53 .53 0 0 0 |
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O4 .0313 .5 0 .455 .48 .48 .48 0 0 0 |
|
|
| Download AMC data (View Text File)
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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) |
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Ba1 .5 .5 .1848 .51 .51 .51 0 0 0 |
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Y1 .5 .5 .5 .38 .38 .38 0 0 0 |
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Cu1 0 0 0 .40 .40 .40 0 0 0 |
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Cu2 0 0 .3551 .38 .38 .38 0 0 0 |
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O1 0 0 .1588 .67 .67 .67 0 0 0 |
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O2 .5 0 .3784 .56 .56 .56 0 0 0 |
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O3 0 .5 .3777 .47 .47 .47 0 0 0 |
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O4 .0307 .5 0 .455 .59 .59 .59 0 0 0 |
|
|
| Download AMC data (View Text File)
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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 |
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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 |
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Cu1 0 0 0 .46 .46 .46 0 0 0 |
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Cu2 0 0 .3551 .42 .42 .42 0 0 0 |
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O1 0 0 .1590 .66 .66 .66 0 0 0 |
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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)
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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 |
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Solid State Communications 66 (1988) 1117-1125 |
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A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7 |
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by high resolution neutron powder diffraction |
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_cod_database_code 1008414 |
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_database_code_amcsd 0016323 |
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3.8103 3.8789 11.6287 90 90 90 Pmmm |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ba1 .5 .5 .1849 .27 .27 .27 0 0 0 |
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Y1 .5 .5 .5 .29 .29 .29 0 0 0 |
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Cu1 0 0 0 .36 .36 .36 0 0 0 |
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Cu2 0 0 .3555 .22 .22 .22 0 0 0 |
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O1 0 0 .1597 .51 .51 .51 0 0 0 |
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O2 .5 0 .3781 .37 .37 .37 0 0 0 |
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O3 0 .5 .3771 .37 .37 .37 0 0 0 |
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O4 .0265 .5 0 .43 .22 .22 .22 0 0 0 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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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 |
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by high resolution neutron powder diffraction |
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_cod_database_code 1008415 |
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_database_code_amcsd 0016324 |
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3.8108 3.8789 11.6328 90 90 90 Pmmm |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ba1 .5 .5 .1851 .32 .32 .32 0 0 0 |
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Y1 .5 .5 .5 .33 .33 .33 0 0 0 |
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Cu1 0 0 0 .38 .38 .38 0 0 0 |
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Cu2 0 0 .3555 .25 .25 .25 0 0 0 |
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O1 0 0 .1598 .53 .53 .53 0 0 0 |
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O2 .5 0 .3781 .38 .38 .38 0 0 0 |
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O3 0 .5 .3773 .40 .40 .40 0 0 0 |
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O4 .0279 .5 0 .43 .24 .24 .24 0 0 0 |
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| 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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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 |
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_cod_database_code 1008416 |
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_database_code_amcsd 0016325 |
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3.8114 3.8792 11.6373 90 90 90 Pmmm |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ba1 .5 .5 .1851 .36 .36 .36 0 0 0 |
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Y1 .5 .5 .5 .34 .34 .34 0 0 0 |
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Cu1 0 0 0 .42 .42 .42 0 0 0 |
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Cu2 0 0 .3556 .26 .26 .26 0 0 0 |
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O1 0 0 .1596 .55 .55 .55 0 0 0 |
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O2 .5 0 .3780 .41 .41 .41 0 0 0 |
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O3 0 .5 .3774 .41 .41 .41 0 0 0 |
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O4 .0286 .5 0 .43 .29 .29 .29 0 0 0 |
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| 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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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 |
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_cod_database_code 1008417 |
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_database_code_amcsd 0016326 |
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3.8142 3.8807 11.6527 90 90 90 Pmmm |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ba1 .5 .5 .1853 .49 .49 .49 0 0 0 |
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Y1 .5 .5 .5 .42 .42 .42 0 0 0 |
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Cu1 0 0 0 .49 .49 .49 0 0 0 |
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Cu2 0 0 .3559 .37 .37 .37 0 0 0 |
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O1 0 0 .1596 .67 .67 .67 0 0 0 |
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O2 .5 0 .3781 .52 .52 .52 0 0 0 |
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O3 0 .5 .3775 .52 .52 .52 0 0 0 |
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O4 .0343 .5 0 .43 .38 .38 .38 0 0 0 |
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| 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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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 |
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_cod_database_code 1008418 |
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_database_code_amcsd 0016327 |
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3.8180 3.8835 11.6726 90 90 90 Pmmm |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ba1 .5 .5 .1857 .65 .65 .65 0 0 0 |
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Y1 .5 .5 .5 .54 .54 .54 0 0 0 |
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Cu1 0 0 0 .59 .59 .59 0 0 0 |
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Cu2 0 0 .3560 .50 .50 .50 0 0 0 |
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O1 0 0 .1592 .80 .80 .80 0 0 0 |
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O2 .5 0 .3782 .65 .65 .65 0 0 0 |
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O3 0 .5 .3777 .62 .62 .62 0 0 0 |
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O4 .0377 .5 0 .43 .58 .58 .58 0 0 0 |
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| 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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|
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 |
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_cod_database_code 1008419 |
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_database_code_amcsd 0016328 |
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3.8103 3.8789 11.6287 90 90 90 Pmmm |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ba1 .5 .5 .1849 .27 .27 .27 0 0 0 |
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Y1 .5 .5 .5 .29 .29 .29 0 0 0 |
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Cu1 0 0 0 .36 .36 .36 0 0 0 |
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Cu2 0 0 .3555 .22 .22 .22 0 0 0 |
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O1 0 0 .1597 .51 .51 .51 0 0 0 |
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O2 .5 0 .3781 .37 .37 .37 0 0 0 |
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O3 0 .5 .3771 .37 .37 .37 0 0 0 |
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O4 0 .5 0 .86 1.18 .18 .21 0 0 0 |
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| 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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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 |
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_cod_database_code 1008420 |
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_database_code_amcsd 0016329 |
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3.8108 3.8789 11.6328 90 90 90 Pmmm |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ba1 .5 .5 .1851 .32 .32 .32 0 0 0 |
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Y1 .5 .5 .5 .33 .33 .33 0 0 0 |
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Cu1 0 0 0 .38 .38 .38 0 0 0 |
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Cu2 0 0 .3555 .25 .25 .25 0 0 0 |
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O1 0 0 .1598 .53 .53 .53 0 0 0 |
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O2 .5 0 .3781 .38 .38 .38 0 0 0 |
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O3 0 .5 .3773 .40 .40 .40 0 0 0 |
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O4 0 .5 0 .86 1.32 .18 .24 0 0 0 |
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|
| 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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|
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 |
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_cod_database_code 1008421 |
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_database_code_amcsd 0016330 |
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3.8114 3.8792 11.6373 90 90 90 Pmmm |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ba1 .5 .5 .1851 .36 .36 .36 0 0 0 |
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Y1 .5 .5 .5 .34 .34 .34 0 0 0 |
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Cu1 0 0 0 .42 .42 .42 0 0 0 |
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Cu2 0 0 .3556 .26 .26 .26 0 0 0 |
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O1 0 0 .1596 .55 .55 .55 0 0 0 |
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O2 .5 0 .3780 .41 .41 .41 0 0 0 |
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O3 0 .5 .3774 .41 .41 .41 0 0 0 |
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O4 0 .5 0 .86 1.42 .18 .35 0 0 0 |
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|
| 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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|
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 |
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_cod_database_code 1008422 |
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_database_code_amcsd 0016331 |
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3.8142 3.8807 11.6527 90 90 90 Pmmm |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ba1 .5 .5 .1853 .49 .49 .49 0 0 0 |
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Y1 .5 .5 .5 .42 .42 .42 0 0 0 |
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Cu1 0 0 0 .49 .49 .49 0 0 0 |
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Cu2 0 0 .3559 .37 .37 .37 0 0 0 |
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O1 0 0 .1596 .67 .67 .67 0 0 0 |
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O2 .5 0 .3781 .52 .52 .52 0 0 0 |
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O3 0 .5 .3775 .52 .52 .52 0 0 0 |
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O4 0 .5 0 .86 2.22 .31 .33 0 0 0 |
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|
| 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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|
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 |
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_database_code_amcsd 0016332 |
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3.8180 3.8835 11.6726 90 90 90 Pmmm |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ba1 .5 .5 .1857 .65 .65 .65 0 0 0 |
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Y1 .5 .5 .5 .54 .54 .54 0 0 0 |
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Cu1 0 0 0 .59 .59 .59 0 0 0 |
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Cu2 0 0 .3560 .50 .50 .50 0 0 0 |
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O1 0 0 .1592 .80 .80 .80 0 0 0 |
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O2 .5 0 .3782 .65 .65 .65 0 0 0 |
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O3 0 .5 .3777 .62 .62 .62 0 0 0 |
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O4 0 .5 0 .86 2.92 .40 .59 0 0 0 |
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| 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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Fe6(OH)12SO4*8H2O |
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Simon L, Francois M, Refait P, Renaudin G, Lelaurain M, Genin J M R |
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Solid State Sciences 5 (2003) 327-334 |
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Structure of Fe(II-III) layered double hydroxysulphate green rust two |
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from Rietveld analysis |
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Locality: synthetic |
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_database_code_amcsd 0015518 |
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5.5241 5.5241 11.0113 90 90 120 P-31m |
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atom x y z occ Biso |
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Fe2+ 2/3 1/3 0 .885 |
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Fe3+ 0 0 0 .885 |
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OH .3250 0 .07289 1.195 |
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Wat -.2346 .6193 .6633 .353 .81 |
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S 0 0 .6415 .25 1.47 |
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OA 0 0 .7785 .25 1.47 |
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OB .256 0 .5965 .25 1.47 |
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| 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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