|
Lithiowodginite |
 |
Santoro A, Roth R S, Minor D |
 |
Acta Crystallographica B33 (1977) 3945-3947 |
|
Neutron powder diffraction study of the intermediate-temperature form |
|
of lithium tantalate |
|
Locality: synthetic |
|
_database_code_amcsd 0018738 |
|
9.410 11.521 5.0506 90 91.108 90 C2/c |
|
atom x y z Biso |
|
Li 0 .8453 .25 1.3 |
|
Ta1 .2419 .0868 .2485 .28 |
|
Ta2 0 .3328 .25 .28 |
|
O1 .3536 .4512 .4386 .31 |
|
O2 .3843 .1795 .4246 .31 |
|
O3 .1331 .4364 .0826 .31 |
|
O4 .1178 .1962 .1062 .31 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Plattnerite |
|
D'Antonio P, Santoro A |
|
Acta Crystallographica B36 (1980) 2394-2397 |
|
Powder neutron diffraction study of chemically prepared B-lead dioxide |
|
Locality: synthetic |
|
_database_code_amcsd 0009716 |
|
4.9578 4.9578 3.3878 90 90 90 P4_2/mnm |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Pb 0 0 0 .0055 .0055 .0050 .0003 0 0 |
|
O .3067 .3067 0 .0097 .0097 .0080 -.0050 0 0 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Fergusonite-beta-(Ce) |
| |
Santoro A, Marezio M, Roth R S, Minor D |
| |
Journal of Solid State Chemistry 35 (1980) 167-175 |
|
Neutron powder diffraction study of the |
|
structures of CeTaO4, CeNbO4, and NdTaO4 |
|
Locality: synthetic |
|
_database_code_amcsd 0013405 |
|
5.5350 11.3991 5.1590 90 94.60 90 I2/a |
|
atom x y z Biso |
|
Ce .25 .1202 0 .41 |
|
Nb .25 .6470 0 .4 |
|
O1 .0129 .7171 .2031 .68 |
|
O2 .8999 .4553 .2399 .6 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Beta - fergusonite-(Ce) |
|
Santoro A, Marezio M, Roth R S, Minor D |
| |
Journal of Solid State Chemistry 35 (1980) 167-175 |
|
Neutron powder diffraction study of the |
|
structures of CeTaO4, CeNbO4, and NdTaO4 |
|
Locality: synthetic |
|
_database_code_amcsd 0013406 |
|
5.5350 11.3991 5.1590 90 94.60 90 I2/a |
|
atom x y z Biso |
|
Ce .25 .1202 0 .41 |
|
Nb .25 .6470 0 .4 |
|
O1 .0129 .7171 .2031 .68 |
|
O2 .8999 .4553 .2399 .6 |
|
|
| Download AMC data (View Text File)
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|
| |
|
CeTaO4 |
| |
Santoro A, Marezio M, Roth R S, Minor D |
| |
Journal of Solid State Chemistry 35 (1980) 167-175 |
|
Neutron powder diffraction study of the |
|
structures of CeTaO4, CeNbO4, and NdTaO4 |
|
_database_code_amcsd 0013407 |
|
7.6161 5.5254 7.7588 90 100.87 90 P2_1/c |
|
atom x y z Biso |
|
Ce .3441 .7728 .0999 .73 |
|
Ta .1668 .2670 .3045 .65 |
|
O1 .1680 .1604 .0544 .69 |
|
O2 .0568 .5869 .2067 .9 |
|
O3 .3823 .4842 .3312 .52 |
|
O4 .3338 .0084 .3671 .78 |
|
|
| Download AMC data (View Text File)
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|
| |
|
NdTaO4 |
| |
Santoro A, Marezio M, Roth R S, Minor D |
| |
Journal of Solid State Chemistry 35 (1980) 167-175 |
|
Neutron powder diffraction study of the |
|
structures of CeTaO4, CeNbO4, and NdTaO4 |
|
_database_code_amcsd 0013408 |
|
5.5115 11.2320 5.1112 90 95.71 90 I2/a |
|
atom x y z Biso |
|
Nd .25 .1178 0 .31 |
|
Ta .25 .6515 0 .5 |
|
O1 .0152 .7188 .2165 .43 |
|
O2 .9014 .4563 .2396 .51 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Li2 O3 Sn |
| |
Hodeau J, Marezio M, Santoro A, Roth R |
| |
Journal of Solid State Chemistry 45 (1982) 170-179 |
|
Neutron Profile Refinement of the Structures of Li2SnO3 and Li2ZrO3 |
|
_cod_database_code 1008199 |
|
_database_code_amcsd 0016135 |
|
5.2889 9.1872 10.0260 90 100.348 90 C2/c |
|
atom x y z occ |
|
Sn1 0 .418 .25 |
|
Sn2 0 .75 .25 |
|
O1 .1387 .2610 .1339 |
|
O2 .1118 .5853 .1340 |
|
O3 .1343 .9078 .1322 |
|
Li1 .231 .073 -.0006 |
|
Li2 .25 .25 .5 .82 |
|
Li3 0 .083 .25 .788 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Li2 O3 Zr |
| |
Hodeau J, Marezio M, Santoro A, Roth R |
| |
Journal of Solid State Chemistry 45 (1982) 170-179 |
|
Neutron Profile Refinement of the Structures of Li2SnO3 and Li2ZrO3 |
|
_cod_database_code 1008200 |
|
_database_code_amcsd 0016136 |
|
5.4218 9.0216 5.4187 90 112.709 90 C2/c |
|
atom x y z occ |
|
Zr1 0 .0916 .25 |
|
O1 .25 .25 .5 |
|
O2 .2721 .5754 .4863 |
|
Li1 0 .423 .25 .90 |
|
Li2 0 .742 .25 .92 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
LiTa3O8 |
| |
Hodeau J, Marezio M, Santoro A, Roth R |
| |
Journal of Solid State Chemistry 51 (1984) 275-292 |
|
Neutron diffraction structure determination of the high-temperature |
|
form of lithium tritanatalte, H-LiTa3O8 |
|
_cod_database_code 1008238 |
|
_database_code_amcsd 0016160 |
|
16.718 7.696 8.931 90 90 90 *Pmmn |
|
.25 .25 0 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ta1 .25 .0012 .6878 .0054 .0061 -.0003 0 0 -.0005 |
|
Ta2 .13256 -.0011 .3930 .0057 .0071 .0010 .0015 -.0002 -.0001 |
|
Ta3 .06024 -.0004 .8114 .0041 .0038 .0028 .0005 .0004 .0003 |
|
Ta4 .25 .0025 .0539 .0055 .0451 .0004 0 0 .0048 |
|
O1 .25 -.0249 .4530 .0039 .0079 .0007 0 0 .0008 |
|
O2 .13163 .0013 .6202 .0052 .0098 .0003 -.0007 .0011 -.0005 |
|
O3 .17483 .0259 .8779 .0046 .0077 .0025 .0001 .0002 -.0007 |
|
O4 .25 .25 .6716 .0104 .0018 .0071 0 0 0 |
|
O5 .25 .75 .7041 .0101 .0011 .0080 0 0 0 |
|
O6 .16236 -.0404 .1883 .0091 .0156 .0051 -.0004 .0036 .0018 |
|
O7 .02035 .0393 .3404 .0043 .0087 .0076 .0007 -.0035 -.0012 |
|
O8 .1416 .25 .3959 .0170 .0031 .0157 0 -.0083 0 |
|
O9 .1048 .75 .4151 .0109 11. .0014 .0092 0 -.0029 |
|
O10 0 0 0 .0169 .0106 .0039 -.0021 .0087 -.0031 |
|
O11 .0417 .25 .8038 .0153 .0015 .0109 0 .0002 0 |
|
O12 .0731 .75 .8425 .0093 .0010 .0264 0 .0026 0 |
|
O13 .25 .25 .0932 .0167 .0098 .0123 0 0 0 |
|
O14 .25 .75 .0161 .0266 .0132 .0159 0 0 0 |
|
Li1 .9163 .25 .9083 .117 .032 .065 0 .040 0 |
|
Li2 -.0063 .25 .462 .076 .038 .114 0 .052 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Li0.88Ta3O8 |
| |
Hodeau J, Marezio M, Santoro A, Roth R |
| |
Journal of Solid State Chemistry 51 (1984) 275-292 |
|
Neutron diffraction structure determination of the high-temperature |
|
form of lithium tritanatalte, H-LiTa3O8 |
|
_cod_database_code 1008239 |
|
_database_code_amcsd 0016161 |
|
16.718 7.696 8.931 90 90 90 *Pmmn |
|
.25 .25 0 |
|
atom x y z occ |
|
Ta1 .25 -.003 .690 |
|
Ta2 .1312 .010 .3944 |
|
Ta3 .0609 -.001 .8076 |
|
Ta4 .25 .018 .056 |
|
O1 .25 .023 .453 |
|
O2 .1315 .008 .6203 |
|
O3 .1743 .029 .879 |
|
O4 .25 .25 .668 |
|
O5 .25 .75 .710 |
|
O6 .1639 -.044 .191 |
|
O7 .0200 .041 .332 |
|
O8 .1524 .25 .387 |
|
O9 .111 .75 .413 |
|
O10 0 0 0 |
|
O11 .047 .25 .817 |
|
O12 .0792 .75 .852 |
|
O13 .25 .25 .082 |
|
O14 .25 .75 .024 |
|
Li1 .910 .25 .952 |
|
Li2 0 .25 .539 .5 |
|
Li3 .25 .25 .304 .5 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Columbite-(Fe) |
|
Bordet P, McHale A, Santoro A, Roth R |
| |
Journal of Solid State Chemistry 64 (1986) 30-46 |
|
Powder neutron diffraction study of ZrTiO4, Zr5Ti7O24 and FeNb2O6 |
|
_cod_database_code 1008356 |
|
_database_code_amcsd 0016267 |
|
14.2661 5.7334 5.0495 90 90 90 Pbcn |
|
atom x y z |
|
Fe 0 .3311 .25 |
|
Nb .3389 .3191 .2506 |
|
O1 .0963 .1041 .0727 |
|
O2 .4189 .1163 .0990 |
|
O3 .7560 .1236 .0793 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
O24 Ti7.24 Zr4.76 |
| |
Bordet P, McHale A, Santoro A, Roth R |
| |
Journal of Solid State Chemistry 64 (1986) 30-46 |
|
Powder neutron diffraction study of Zr Ti O4, Zr5 Ti7 O24 and Fe Nb2 O6 |
|
_cod_database_code 1008697 |
|
_database_code_amcsd 0016583 |
|
14.3574 5.3247 5.0200 90 90 90 Pbcn |
|
atom x y z occ |
|
Zr1 0 .2629 .25 .968 |
|
Ti1 0 .2629 .25 .032 |
|
Zr2 .3324 .3335 .1798 .111 |
|
Ti2 .3324 .3335 .1798 .889 |
|
O1 .0873 .0668 -.0234 |
|
O2 .4194 .0824 .0599 |
|
O3 .7600 .1226 .1402 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Srilankite |
|
Bordet P, McHale A, Santoro A, Roth R |
| |
Journal of Solid State Chemistry 64 (1986) 30-46 |
|
Powder neutron diffraction study of ZrTiO4, Zr5Ti7O24 and FeNb2O6 |
|
_cod_database_code 1008790 |
|
_database_code_amcsd 0016662 |
|
4.8042 5.4825 5.0313 90 90 90 Pbcn |
|
atom x y z occ |
|
Zr1 0 .265 .25 .5 |
|
Ti1 0 .265 .25 .5 |
|
O1 .2704 .1004 .0700 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
La O3 V |
| |
Bordet P, Chaillout C, Marezio M, Huang Q, Santoro A, Cheong S, |
|
Takagi H, Oglesby C, Batlogg B |
| |
Journal of Solid State Chemistry 106 (1993) 253-270 |
|
Structural aspects of the crystallographic-magnetic transition in |
|
LaVO3 around 140 K |
|
_cod_database_code 1008644 |
|
_database_code_amcsd 0016533 |
|
5.55548 7.84868 5.55349 90 90 90 Pnma |
|
atom x y z |
|
La1 .0295 .25 .9951 |
|
V1 .5 0 0 |
|
O1 .4880 .25 .0707 |
|
O2 .2831 .0387 .7168 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
La O3 V |
| |
Bordet P, Chaillout C, Marezio M, Huang Q, Santoro A, Cheong S, |
|
Takagi H, Oglesby C, Batlogg B |
| |
Journal of Solid State Chemistry 106 (1993) 253-270 |
|
Structural aspects of the crystallographic-magnetic transition in |
|
LaVO3 around 140 K |
|
_cod_database_code 1008645 |
|
_database_code_amcsd 0016534 |
|
5.55810 7.83421 5.54862 90 90 90 Pnma |
|
atom x y z |
|
La1 .0318 .25 .9954 |
|
V1 .5 0 0 |
|
O1 .4876 .25 .0724 |
|
O2 .2848 .0392 .7168 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
La O3 V |
| |
Bordet P, Chaillout C, Marezio M, Huang Q, Santoro A, Cheong S, |
|
Takagi H, Oglesby C, Batlogg B |
| |
Journal of Solid State Chemistry 106 (1993) 253-270 |
|
Structural aspects of the crystallographic-magnetic transition in |
|
LaVO3 around 140 K |
|
_cod_database_code 1008646 |
|
_database_code_amcsd 0016535 |
|
5.59360 7.75951 5.56490 90 90 90.1250 P2_1/a |
|
atom x y z |
|
La1 .0334 .25 .9924 |
|
V1 .5 0 0 |
|
V2 0 .5 .5 |
|
O1 .4885 .25 .0716 |
|
O2 .2789 .0377 .7134 |
|
O3 .7119 .5391 .2792 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
La O3 V |
| |
Bordet P, Chaillout C, Marezio M, Huang Q, Santoro A, Cheong S, |
|
Takagi H, Oglesby C, Batlogg B |
| |
Journal of Solid State Chemistry 106 (1993) 253-270 |
|
Structural aspects of the crystallographic-magnetic transition in |
|
LaVO3 around 140 K |
|
_cod_database_code 1008647 |
|
_database_code_amcsd 0016536 |
|
5.5917 7.7516 5.5623 90 90 90.129 P2_1/a |
|
atom x y z |
|
La1 .0341 .25 .9917 |
|
V1 .5 0 0 |
|
V2 0 .5 .5 |
|
O1 .4900 .25 .0710 |
|
O2 .2776 .0381 .7144 |
|
O3 .7104 .5389 .2833 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
O4 Ru Sr2 |
| |
Huang Q, Soubeyroux J, Chmaissem O, Natali Sora I, Santoro A, |
|
Cava R, Krajewski J, Peck W |
| |
Journal of Solid State Chemistry 112 (1994) 355-361 |
|
Neutron powder diffraction study of the crystal structures of |
|
Sr2RuO4 and Sr2IrO4 at room temperature and at 10K |
|
_cod_database_code 1008659 |
|
_database_code_amcsd 0016547 |
|
3.8730 3.8730 12.7323 90 90 90 I4/mmm |
|
atom x y z |
|
Sr1 0 0 .3525 |
|
Ru1 0 0 0 |
|
O1 0 .5 0 |
|
O2 0 0 .1624 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
O4 Ru Sr2 |
| |
Huang Q, Soubeyroux J, Chmaissem O, Natali Sora I, Santoro A, |
|
Cava R, Krajewski J, Peck W |
| |
Journal of Solid State Chemistry 112 (1994) 355-361 |
|
Neutron powder diffraction study of the crystal structures of |
|
Sr2RuO4 and Sr2IrO4 at room temperature and at 10K |
|
_cod_database_code 1008660 |
|
_database_code_amcsd 0016548 |
|
3.86358 3.86358 12.7155 90 90 90 I4/mmm |
|
atom x y z |
|
Sr1 0 0 .3526 |
|
Ru1 0 0 0 |
|
O1 0 .5 0 |
|
O2 0 0 .1625 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ir O4 Sr2 |
| |
Huang Q, Soubeyroux J, Chmaissem O, Natali Sora I, Santoro A, |
|
Cava R, Krajewski J, Peck W |
| |
Journal of Solid State Chemistry 112 (1994) 355-361 |
|
Neutron powder diffraction study of the crystal structures of |
|
Sr2RuO4 and Sr2IrO4 at room temperature and at 10K |
|
_cod_database_code 1008661 |
|
_database_code_amcsd 0016549 |
|
5.4994 5.4994 25.78409 90 90 90 I4_1/acd |
|
atom x y z occ |
|
Sr1 0 0 .17537 |
|
Ir1 0 0 0 |
|
O1 .1998 .1998 .25 .833 |
|
O2 .3002 .3002 .25 .167 |
|
O3 0 0 .0802 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ir O4 Sr2 |
| |
Huang Q, Soubeyroux J, Chmaissem O, Natali Sora I, Santoro A, |
|
Cava R, Krajewski J, Peck W |
| |
Journal of Solid State Chemistry 112 (1994) 355-361 |
|
Neutron powder diffraction study of the crystal structures of |
|
Sr2RuO4 and Sr2IrO4 at room temperature and at 10K |
|
_cod_database_code 1008662 |
|
_database_code_amcsd 0016550 |
|
5.48463 5.48463 25.7977 90 90 90 I4_1/acd |
|
atom x y z occ |
|
Sr1 0 0 .17573 |
|
Ir1 0 0 0 |
|
O1 .1981 .1981 .25 .861 |
|
O2 .3019 .3019 .25 .139 |
|
O3 0 0 .07974 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ba2 Cu3 O6.072 Y |
| |
Santoro A, Miraglia S, Beech F, Sunshine S, Murphy D, Schneemeyer L, Waszcak J |
| |
Materials Research Bulletin 22 (1987) 1007-1013 |
|
The structure and properties of Ba2 Y Cu3 O6 |
|
_cod_database_code 1008706 |
|
_database_code_amcsd 0016592 |
|
3.8570 3.8570 11.8194 90 90 90 P4/mmm |
|
atom x y z occ |
|
Ba1 .5 .5 .1952 |
|
Y1 .5 .5 .5 |
|
Cu1 0 0 0 |
|
Cu2 0 0 .3607 |
|
O1 0 0 .1518 .990 |
|
O2 0 .5 .3791 1.009 |
|
O3 0 .5 0 .028 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ba2 Cu3 O6.5 Y |
| |
Miraglia S, Beech F, Santoro A, Tran Qui D, Sunshine S, Murphy D |
| |
Materials Research Bulletin 22 (1987) 1733-1740 |
|
Neutron powder diffraction study of orthorhombic Ba2 Y Cu3 O6.5 |
|
_cod_database_code 1008696 |
|
_database_code_amcsd 0016582 |
|
3.8468 3.8747 11.7466 90 90 90 Pmmm |
|
atom x y z occ |
|
Ba1 .5 .5 .1917 |
|
Y1 .5 .5 .5 |
|
Cu1 0 0 0 |
|
Cu2 0 0 .3596 |
|
O1 0 0 .1528 |
|
O2 .5 0 .3788 |
|
O3 0 .5 .3767 |
|
O4 0 .5 0 .5 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba Cu O5.05 Sr |
| |
Chaillout C, Huang Q, Cava R, Chenavas J, Santoro A, Bordet P, |
|
Hodeau J, Krajewski J, Levy J, Marezio M, Peck W |
| |
Physica C 195 (1992) 335-344 |
|
Synthesis and crystal structure of BaSrCuO2+xCO3 |
|
_cod_database_code 1008567 |
|
_database_code_amcsd 0016458 |
|
5.5899 5.5899 7.7153 90 90 90 P4/mbm |
|
atom x y z occ |
|
Ba1 0 0 .2115 .5 |
|
Sr1 0 0 .2423 .5 |
|
Cu1 .5 0 0 |
|
C1 .5 0 .5 |
|
O1 .3434 .8434 .4553 .2625 |
|
O2 .2509 .7509 .0187 .5 |
|
O3 .4672 .9672 .3286 .25 |
|
O4 .4140 .9140 .3771 .25 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Co0.345 Cu2.655 O7.29 Y |
| |
Renevier H, Hodeau J, Marezio M, Santoro A |
| |
Physica C 220 (1994) 143-159 |
|
Electron- and powder neutron-diffraction studies of Y Ba2 (Cu1-y Coy)3 O6+x |
|
with 0.05< y< 0.33 |
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_cod_database_code 1008667 |
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_database_code_amcsd 0016553 |
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3.8684 3.8684 11.6596 90 90 90 P4/mmm |
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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 .1858 |
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Y1 .5 .5 .5 |
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Cu1 0 0 0 .66 |
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Co1 0 0 0 .34 |
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Cu2 0 0 .3580 .9975 |
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Co2 0 0 .3580 .0025 |
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O1 0 0 .1559 |
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O2 0 .5 .3768 |
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O3 0 .5 0 .643 8.1 4.4 2.2 0 0 0 |
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| Download AMC data (View Text File)
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Ba2 Co0.57 Cu2.43 O7.34 Y |
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Renevier H, Hodeau J, Marezio M, Santoro A |
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Physica C 220 (1994) 143-159 |
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Electron- and powder neutron-diffraction studies of Y Ba2 (Cu1-y Coy)3 O6+x |
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with 0.05< y< 0.33 |
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_cod_database_code 1008668 |
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_database_code_amcsd 0016554 |
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3.8865 3.8865 11.6425 90 90 90 P4/mmm |
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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 .1865 |
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Y1 .5 .5 .5 |
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Cu1 0 0 0 .46 |
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Co1 0 0 0 .54 |
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Cu2 0 0 .3589 .985 |
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Co2 0 0 .3589 .015 |
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O1 0 0 .1548 |
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O2 0 .5 .3768 |
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O3 0 .5 0 .67 8.7 3.7 2.1 0 0 0 |
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| Download AMC data (View Text File)
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Ba2 Co0.38 Cu2.62 O6.91 Y |
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Renevier H, Hodeau J, Marezio M, Santoro A |
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Physica C 220 (1994) 143-159 |
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Electron- and powder neutron-diffraction studies of Y Ba2 (Cu1-y Coy)3 O6+x |
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with 0.05< y< 0.33 |
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_cod_database_code 1008669 |
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_database_code_amcsd 0016555 |
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3.8772 3.8772 11.7352 90 90 90 P4/mmm |
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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 .1935 |
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Y1 .5 .5 .5 |
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Cu1 0 0 0 .65 |
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Co1 0 0 0 .35 |
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Cu2 0 0 .3614 .985 |
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Co2 0 0 .3614 .015 |
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O1 0 0 .1504 |
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O2 0 .5 .3793 |
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O3 0 .5 0 .455 15.2 4.5 2.8 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 Co0.554 Cu2.446 O7.12 Y |
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Renevier H, Hodeau J, Marezio M, Santoro A |
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Physica C 220 (1994) 143-159 |
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Electron- and powder neutron-diffraction studies of Y Ba2 (Cu1-y Coy)3 O6+x |
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with 0.05< y< 0.33 |
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_cod_database_code 1008670 |
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_database_code_amcsd 0016556 |
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3.8850 3.8850 11.7055 90 90 90 P4/mmm |
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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 .1911 |
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Y1 .5 .5 .5 |
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Cu1 0 0 0 .476 |
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Co1 0 0 0 .524 |
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Cu2 0 0 .3601 .985 |
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Co2 0 0 .3601 .015 |
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O1 0 0 .1534 |
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O2 0 .5 .3784 |
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O3 0 .5 0 .56 12.9 5.9 1.3 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 O6.8 Y |
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Beech F, Miraglia S, Santoro A, Roth R |
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Physical Review B35 (1987) 8778-8781 |
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Neutron study of the crystal structure and vacancy distribution in the |
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superconductor Ba2YCu3O9-d |
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_cod_database_code 1008351 |
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_database_code_amcsd 0016262 |
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3.8250 3.8864 11.6945 90 90 90 Pmmm |
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atom x y z occ |
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Ba1 .5 .5 .1866 |
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Y1 .5 .5 .5 |
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Cu1 0 0 0 |
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Cu2 0 0 .3562 |
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O1 0 0 .1576 |
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O2 .5 0 .3790 |
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O3 0 .5 .3774 |
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O4 0 .5 0 .8 |
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
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Ba2 Cu3 O6.8 Y |
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Beech F, Miraglia S, Santoro A, Roth R |
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Physical Review B35 (1987) 8778-8781 |
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Neutron study of the crystal structure and vacancy distribution in the |
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superconductor Ba2YCu3O9-d |
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_cod_database_code 1008352 |
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_database_code_amcsd 0016263 |
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3.8174 3.8804 11.6520 90 90 90 Pmmm |
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atom x y z occ |
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Ba1 .5 .5 .1854 |
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Y1 .5 .5 .5 |
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Cu1 0 0 0 |
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Cu2 0 0 .3559 |
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O1 0 0 .1585 |
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O2 .5 0 .3777 |
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O3 0 .5 .3778 |
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O4 0 .5 0 .8 |
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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 O7 Y |
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Beech F, Miraglia S, Santoro A, Roth R |
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Physical Review B35 (1987) 8778-8781 |
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Neutron study of the crystal structure and vacancy distribution in the |
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superconductor Ba2YCu3O9-d |
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_cod_database_code 1008353 |
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_database_code_amcsd 0016264 |
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3.8198 3.8849 11.6762 90 90 90 Pmmm |
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atom x y z |
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Ba1 .5 .5 .1839 |
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Y1 .5 .5 .5 |
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Cu1 0 0 0 |
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Cu2 0 0 .3547 |
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O1 0 0 .1581 |
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O2 .5 0 .3779 |
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O3 0 .5 .3776 |
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O4 0 .5 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 O7 Y |
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Beech F, Miraglia S, Santoro A, Roth R |
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Physical Review B35 (1987) 8778-8781 |
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Neutron study of the crystal structure and vacancy distribution in the |
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superconductor Ba2YCu3O9-d |
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_cod_database_code 1008354 |
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_database_code_amcsd 0016265 |
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3.8126 3.8804 11.6333 90 90 90 Pmmm |
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atom x y z |
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Ba1 .5 .5 .1837 |
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Y1 .5 .5 .5 |
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Cu1 0 0 0 |
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Cu2 0 0 .3546 |
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O1 0 0 .1593 |
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O2 .5 0 .3780 |
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O3 0 .5 .3772 |
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O4 0 .5 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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YBa2Cu2Cu1.77Fe.23O7.13 |
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Bordet P, Hodeau J, Strobel P, Marezio M, Santoro A |
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Solid State Communications 66 (1988) 435-439 |
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Neutron and electron diffraction study of YBa2Cu2Cu1.77Fe.23O7.13 |
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_cod_database_code 1008426 |
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_database_code_amcsd 0016333 |
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3.8674 3.8674 11.6687 90 90 90 P4/mmm |
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atom x y z occ |
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Y .5 .5 .5 |
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Ba .5 .5 .1855 |
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Cu1 0 0 0 .77 |
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Fe1 0 0 0 .23 |
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Cu2 0 0 .35655 |
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O1 0 0 .1575 |
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O2 .5 0 .37803 |
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O3 0 .5 0 .564 |
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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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H2 I3 K O9 |
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Bordet P, Boucherle J, Santoro A, Marezio M |
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Solid State Ionics 21 (1986) 243-254 |
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Crystal structure and proton conductivity of N H4 H2 (I O3)3 |
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and K H2 (I O3)3 |
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_cod_database_code 1008359 |
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_database_code_amcsd 0016270 |
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8.266 8.200 8.180 66.08 60.16 71.06 P-1 |
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atom x y z |
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I1 .81368 .18645 .75488 |
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I2 .23951 .73478 .77795 |
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I3 .30383 .20049 .78194 |
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O1 .7755 .4272 .6010 |
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O2 .8348 .0820 .5807 |
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O3 .1213 .5541 .8212 |
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O4 .4719 .6591 .6118 |
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O5 .4647 .2309 .8519 |
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O6 .0604 .1835 .6602 |
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O7 .4040 -.0211 .7514 |
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O8 .2635 .6402 .0069 |
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O9 .1175 .1358 .0325 |
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K1 .7233 .7202 .7623 |
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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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H2 I3 K O9 |
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Bordet P, Boucherle J, Santoro A, Marezio M |
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Solid State Ionics 21 (1986) 243-254 |
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Crystal structure and proton conductivity of N H4 H2 (I O3)3 |
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and K H2 (I O3)3 |
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_cod_database_code 1008360 |
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_database_code_amcsd 0016271 |
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8.266 8.200 8.180 66.08 60.16 71.06 P-1 |
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atom x y z occ |
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I1 .8141 .1865 .7547 |
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I2 .2392 .7348 .7778 |
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I3 .3036 .2006 .7819 |
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O1 .7757 .4264 .6021 |
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O2 .8351 .0821 .5803 |
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O3 .1216 .5542 .8209 |
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O4 .4721 .6589 .6122 |
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O5 .4648 .2311 .8520 |
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O6 .0601 .1841 .6600 |
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O7 .4040 -.0211 .7513 |
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O8 .2631 .6405 .0070 |
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O9 .1180 .1359 .0323 |
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K1 .7240 .7200 .7619 |
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H1 .3608 .5260 .3668 |
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H2 -.021 .477 .038 .5 |
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H3 .035 -.019 .475 .5 |
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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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H6 I3 N O9 |
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Bordet P, Boucherle J, Santoro A, Marezio M |
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Solid State Ionics 21 (1986) 243-254 |
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Crystal structure and proton conductivity of N H4 H2 (I O3)3 and K H2 (I O3)3 |
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_cod_database_code 1008704 |
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_database_code_amcsd 0016590 |
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8.396 8.363 8.207 65.57 60.13 70.33 P-1 |
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atom x y z |
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I1 .80997 .18942 .75206 |
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I2 .24046 .73219 .77990 |
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I3 .30239 .20097 .78134 |
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O1 .7715 .4280 .6008 |
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O2 .8409 .0926 .5696 |
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O3 .1313 .5489 .8266 |
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O4 .4703 .6598 .6133 |
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O5 .4708 .2262 .8410 |
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O6 .0523 .1853 .6683 |
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O7 .3950 -.0189 .7517 |
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O8 .2672 .6442 .0069 |
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O9 .1242 .1406 .0341 |
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N1 .7296 .7263 .7604 |
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H1 .795 .783 .809 |
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H2 .769 .731 .648 |
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H3 .62 .81 .80 |
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H4 .699 .618 .842 |
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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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H6 I3 N O9 |
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Bordet P, Boucherle J, Santoro A, Marezio M |
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Solid State Ionics 21 (1986) 243-254 |
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Crystal structure and proton conductivity of N H4 H2 (I O3)3 and K H2(I O3)3 |
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_cod_database_code 1008705 |
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_database_code_amcsd 0016591 |
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8.396 8.363 8.207 65.57 60.13 70.33 P-1 |
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atom x y z occ |
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I1 .8106 .1896 .7522 |
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I2 .2410 .7316 .7802 |
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I3 .3023 .2008 .7818 |
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O1 .7702 .4289 .6008 |
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O2 .8395 .0932 .5704 |
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O3 .1300 .5499 .8266 |
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O4 .4704 .6600 .6137 |
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O5 .4699 .2257 .8413 |
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O6 .0515 .1850 .6687 |
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O7 .3954 -.0187 .7511 |
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O8 .2662 .6448 .0067 |
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O9 .1236 .1402 .0346 |
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N1 .7291 .7283 .7607 |
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H1 .787 .7668 .813 |
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H2 .8143 .7323 .619 |
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H3 .616 .812 .7667 |
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H4 .2888 .3988 .1605 |
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H5 .3605 .5224 .3678 |
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H6 -.026 .475 .042 .5 |
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H7 .039 -.022 .481 .5 |
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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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