|
EuMo6S8 |
| |
Kubel F, Yvon K |
 |
Acta Crystallographica C46 (1990) 181-186 |
|
Structural phase transitions in Chevrel phases containing divalent |
|
metal cations. II. Structure refinement of triclinic EuMo6S8 and BaMo6S8 |
|
at low temperature |
|
Sample: T = 112 K |
|
_database_code_amcsd 0010094 |
|
6.5378 6.5378 6.5378 88.809 88.809 88.809 R-3 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Eu 0 0 0 .0045 .0045 .0045 -.0021 -.0021 -.0021 |
|
Mo .22840 .56297 .41866 .0018 .0016 .0014 -.0008 -.0003 -.0006 |
|
S1 .12444 .38158 .74434 .0022 .0034 .0035 -.0013 -.0005 -.0005 |
|
S2 .2449 .2449 .2449 .004 .004 .004 -.0001 -.0001 -.0001 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
EuMo6S8 |
| |
Kubel F, Yvon K |
|
Acta Crystallographica C46 (1990) 181-186 |
|
Structural phase transitions in Chevrel phases containing divalent |
|
metal cations. II. Structure refinement of triclinic EuMo6S8 and BaMo6S8 |
|
at low temperature |
|
Sample: T = 40 K |
|
_database_code_amcsd 0010095 |
|
6.4692 6.5651 6.5986 89.179 89.184 88.009 P-1 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Eu 0 0 0 .00807 .0057 .00613 -.00257 -.00227 -.00144 |
|
Mo1 .23322 .56160 .42152 .00695 .0040 .00562 -.00218 -.00206 -.00076 |
|
Mo2 .41918 .22702 .56285 .00696 .0047 .00550 -.00202 -.00179 -.00074 |
|
Mo3 .56450 .41778 .22751 .00739 .0050 .00543 -.00220 -.00223 -.00045 |
|
S1 .1250 .3822 .7460 .0083 .0057 .0074 -.0020 -.0016 -.0003 |
|
S2 .2511 .2400 .2457 .0099 .0032 .0073 -.0037 -.0028 -.0015 |
|
S3 .3816 .7411 .1261 .0088 .0033 .0073 -.0013 -.0031 -.0009 |
|
S4 .7458 .1230 .3785 .0088 .0038 .0079 -.0023 -.0023 .0001 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
BaMo6S8 |
| |
Kubel F, Yvon K |
|
Acta Crystallographica C46 (1990) 181-186 |
|
Structural phase transitions in Chevrel phases containing divalent |
|
metal cations. II. Structure refinement of triclinic EuMo6S8 and BaMo6S8 |
|
at low temperature |
|
Sample: T = 177 K |
|
_database_code_amcsd 0010096 |
|
6.6441 6.6441 6.6441 88.562 88.562 88.562 R-3 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ba 0 0 0 .0099 .0099 .0099 -.00247 -.00247 -.00247 |
|
Mo .23479 .56589 .41741 .0076 .0066 .0064 -.00150 -.0011 -.0010 |
|
S1 .1233 .3907 .7365 .0075 .0114 .0111 -.0021 -.0008 -.0007 |
|
S2 .2512 .2512 .2512 .0106 .0106 .0106 -.0024 -.0024 -.0024 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
BaMo6S8 |
| |
Kubel F, Yvon K |
|
Acta Crystallographica C46 (1990) 181-186 |
|
Structural phase transitions in Chevrel phases containing divalent |
|
metal cations. II. Structure refinement of triclinic EuMo6S8 and BaMo6S8 |
|
at low temperature |
|
Sample: T = 173 K |
|
_database_code_amcsd 0010097 |
|
6.5896 6.6500 6.6899 88.731 88.818 88.059 P-1 |
|
atom x y z |
|
Ba 0 0 0 |
|
Mo1 .23750 .56443 .41916 |
|
Mo2 .41765 .23305 .56528 |
|
Mo3 .56678 .41669 .23264 |
|
S1 .1240 .3924 .7369 |
|
S2 .2556 .2469 .2524 |
|
S3 .3915 .7359 .1247 |
|
S4 .7376 .1224 .3878 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Partheite |
 |
Engel N, Yvon K |
 |
Zeitschrift fur Kristallographie 169 (1984) 165-175 |
|
The crystal structure of partheite |
|
Locality: Taurus mountains, Southwest Turkey |
|
_database_code_amcsd 0010873 |
|
21.5550 8.761 9.304 90 91.55 90 C2/c |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca .35586 .1991 .0444 .0122 .0130 .0099 -.0048 -.0023 .0010 |
|
Al1 .1161 .0844 .6006 .0073 .0077 .0063 -.0006 .0013 -.0003 |
|
Al2 .1999 .3162 .2858 .009 .0055 .0049 .0008 -.0001 .0009 |
|
Si1 .06729 .1832 .2896 .0046 .009 .0065 .0008 -.0007 .0004 |
|
Si2 .23983 .0077 .4621 .0046 .0062 .0069 .0017 .0012 -.0001 |
|
O1 .0695 .0181 .2162 .006 .013 .009 .002 .003 -.001 |
|
O2 .0725 .1719 .4626 .008 .017 .007 .004 .000 .001 |
|
O3 .1222 .2883 .2295 .011 .017 .006 -.004 .000 -.001 |
|
O4 .1722 .0363 .0250 .011 .009 .013 .000 .007 -.002 |
|
O5 .2081 .4669 .4096 .010 .006 .011 -.004 -.002 .001 |
|
O6 .2345 .1550 .3605 .014 .007 .011 .003 .001 .005 |
|
O7 .2340 .3599 .1221 .013 .009 .007 -.005 .001 .002 |
|
O8 0 .2632 .25 .006 .007 .011 0 -.002 0 |
|
OH .3523 .2673 .2918 .017 .016 .009 -.006 -.002 -.006 |
|
Wat1 .0712 .5050 .0159 .028 .004 .068 -.002 .006 .001 |
|
Wat2 .4541 .3070 .0800 .009 .025 .032 -.009 .012 -.007 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Cu La1.85 O4 Sr0.15 |
| |
Decroux M, Junod A, Bezinge A, Cattani D, Cors J, Jorda L, Stettler A, |
|
Francois M, Yvon K, Fischer O, Muller J |
| |
Europhysics Letters 3 (1987) 1035-1040 |
|
Structure, Resistivity, Critical Field, Specific-Heat Jump at Tc, |
|
Meissner Effect, a.c. and d.c. Susceptibility of the High-Temperature |
|
Superconductor La2-x Srx Cu O4. |
|
_cod_database_code 1008481 |
|
_database_code_amcsd 0016380 |
|
3.7793 3.7793 13.200 90 90 90 I4/mmm |
|
atom x y z occ |
|
La1 0 0 .3609 .925 |
|
Sr1 0 0 .3609 .075 |
|
Cu1 0 0 0 |
|
O1 0 .5 0 |
|
O2 0 0 .184 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Cu1.8 Mo6 S8 |
| |
Baillif R, Yvon K, Fluekiger R, Muller J |
| |
Journal of Low Temperature Physics 37 (1979) 2319-2379 |
|
The tricilic structure of Cu1.8 Mo6 S8 in the superconducting state |
|
_cod_database_code 1008606 |
|
_database_code_amcsd 0016497 |
|
6.479 6.569 6.559 96.89 93.44 95.74 P-1 |
|
atom x y z occ |
|
Mo1 .22 .406 .543 |
|
Mo2 .406 .537 .221 |
|
Mo3 .544 .219 .401 |
|
S1 .373 .141 .716 |
|
S2 .137 .717 .381 |
|
S3 .728 .383 .126 |
|
S4 .204 .196 .2 |
|
Cu1 .159 -.058 .909 .9 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
B68 Fe68 Nd19 |
| |
Bezinge A, Yvon K, Braun H, Muller J, Nissen H |
| |
Physical Review B36 (1987) 1406-1414 |
|
Nd1+e Fe4 B4: A composition-modulated compound with |
|
incommensurate composite crystal structure. |
|
_cod_database_code 1008634 |
|
_database_code_amcsd 0016523 |
|
7.1226 7.1226 66.2 90 90 90 *P4_2/n |
|
.25 .25 .25 |
|
atom x y z |
|
Nd1 .75 .75 .04 |
|
Nd2 .75 .75 .0925 |
|
Nd3 .75 .75 .1444 |
|
Nd4 .75 .75 .1967 |
|
Nd5 .75 .75 .25 |
|
Nd6 .75 .75 .5134 |
|
Nd7 .75 .75 .5662 |
|
Nd8 .75 .75 .6184 |
|
Nd9 .75 .75 .6708 |
|
Nd10 .75 .75 .7234 |
|
Fe1 .129 .632 .0210 |
|
Fe2 .136 .884 .0505 |
|
Fe3 .137 .623 .0805 |
|
Fe4 .127 .872 .1100 |
|
Fe5 .133 .609 .1401 |
|
Fe6 .126 .863 .1686 |
|
Fe7 .142 .604 .1980 |
|
Fe8 .120 .869 .2271 |
|
Fe9 .143 .622 .2561 |
|
Fe10 .119 .872 .2859 |
|
Fe11 .137 .628 .3153 |
|
Fe12 .134 .883 .3456 |
|
Fe13 .128 .626 .3747 |
|
Fe14 .143 .888 .4042 |
|
Fe15 .113 .630 .4334 |
|
Fe16 .145 .878 .4627 |
|
Fe17 .108 .632 .4916 |
|
B1 .525 .423 .0383 |
|
B2 .554 .419 .0943 |
|
B3 .618 .334 .1489 |
|
B4 .678 .553 .2000 |
|
B5 .679 .486 .2511 |
|
B6 .594 .475 .3296 |
|
B7 .586 .417 .3901 |
|
B8 .581 .361 .4671 |
|
B9 .558 .402 .5087 |
|
B10 .607 .314 .5422 |
|
B11 .554 .422 .6266 |
|
B12 .580 .429 .6846 |
|
B13 .586 .452 .7434 |
|
B14 .578 .458 .8026 |
|
B15 .578 .451 .8603 |
|
B16 .555 .420 .9207 |
|
B17 .550 .434 .9779 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
B60 Fe60 Sm17 |
| |
Bezinge A, Braun H, Muller J, Yvon K |
| |
Solid State Communications 55 (1985) 131-135 |
|
Tetragonal rare earth (R) iron borides, R(1+x) Fe4 B4 (x=0.1), |
|
with incommensurate rare earth and iron substructures |
|
_cod_database_code 1008320 |
|
_database_code_amcsd 0016235 |
|
7.098 7.098 58.69 90 90 90 *P4_2/n |
|
.25 .25 .25 |
|
atom x y z |
|
Sm1 .25 .25 .25 |
|
Sm2 .25 .25 .0147 |
|
Sm3 .25 .25 .0735 |
|
Sm4 .25 .25 .1323 |
|
Sm5 .25 .25 .1912 |
|
Sm6 .25 .25 .5441 |
|
Sm7 .25 .25 .6029 |
|
Sm8 .25 .25 .6618 |
|
Sm9 .25 .25 .7206 |
|
Fe1 .1206 .6307 .0253 |
|
Fe2 .1266 .8755 .0587 |
|
Fe3 .1379 .6227 .092 |
|
Fe4 .1195 .8686 .1253 |
|
Fe5 .1341 .6175 .1587 |
|
Fe6 .1171 .8654 .192 |
|
Fe7 .1332 .6183 .2253 |
|
Fe8 .1209 .8696 .2587 |
|
Fe9 .1265 .6246 .292 |
|
Fe10 .1287 .8775 .3253 |
|
Fe11 .1189 .6326 .3587 |
|
Fe12 .1355 .8837 .392 |
|
Fe13 .1152 .6369 .4253 |
|
Fe14 .1364 .8849 .4587 |
|
Fe15 .1174 .6342 .492 |
|
B1 .528 .408 .0417 |
|
B2 .528 .408 .108 |
|
B3 .528 .408 .175 |
|
B4 .528 .408 .242 |
|
B5 .528 .408 .308 |
|
B6 .528 .408 .375 |
|
B7 .528 .408 .442 |
|
B8 .528 .408 .508 |
|
B9 .528 .408 .575 |
|
B10 .528 .408 .642 |
|
B11 .528 .408 .708 |
|
B12 .528 .408 .775 |
|
B13 .528 .408 .842 |
|
B14 .528 .408 .908 |
|
B15 .528 .408 .975 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Mo N |
| |
Bezinge A, Yvon K, Muller J, Lengauer W, Ettmayer P |
| |
Solid State Communications 63 (1987) 141-145 |
|
High-pressure high temperature experiments on delta-Mo N |
|
_cod_database_code 1009056 |
|
_database_code_amcsd 0016917 |
|
5.745 5.745 5.622 90 90 120 P6_3mc |
|
atom x y z |
|
Mo1 0 0 .25 |
|
Mo2 .49 .51 .25 |
|
N1 1/3 2/3 .5 |
|
N2 1/6 .833 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 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)
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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 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)
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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 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)
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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 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)
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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 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)
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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 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)
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 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)
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 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
|
| |
Multiple datasets can be concatenated into a single downloadable file by
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