|
Kolitschite |
| |
Grey I E, Mumme W G, Bordet P |
| |
The Canadian Mineralogist 46 (2008) 1355-1364 |
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A new crystal-chemical variation of the alunite-type structure |
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in monoclinic PbZn0.5Fe3(AsO4)2(OH)6 |
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Locality: Broken Hill, Australia |
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_database_code_amcsd 0006197 |
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25.8898 14.8753 12.1700 90 110.681 90 C2/c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Pb1 .61159 .1142 .9955 .0400 .0325 .0635 .0181 -.0124 .0018 .0033 |
|
Pb2 .60614 .63451 .0035 .0334 .0246 .0520 .0185 -.0020 .0011 .0026 |
|
Zn1 .78368 .8724 .2570 .700 .0205 .009 .047 .007 .0011 .0038 .0001 |
|
Zn2 .7158 .876 .243 .177 .055 .016 .13 .012 .002 .002 .009 |
|
Fe1 .74873 .6247 .2430 .0121 |
|
Fe2 .62168 .4972 .7547 .0077 |
|
Fe3 0 .1242 .75 .0068 |
|
Fe4 0 .3743 .25 .0067 |
|
Fe5 .37592 .7508 .2429 .0081 |
|
Fe6 .12343 .5010 .2524 .0071 |
|
Fe7 .87789 .7467 .2473 .0089 |
|
As1 .04625 .37548 .0273 .0067 |
|
As2 .70550 .37440 .9649 .0091 |
|
As3 .29788 .12454 .0308 .0088 |
|
As4 .04865 .87495 .0293 .0074 |
|
O1 .0212 .3744 .8836 .007 |
|
O2 .4937 .1237 .5801 .009 |
|
O3 .4146 .7824 .4162 .010 |
|
O4 .9131 .5328 .9164 .010 |
|
O5 .2651 .3757 .3902 .019 |
|
O6 .7435 .8748 .5883 .013 |
|
O7 .8348 .7822 .5791 .009 |
|
O8 .8355 .9672 .5801 .013 |
|
O9 .7227 .8750 .1151 .027 |
|
O10 .8370 .4682 .5798 .010 |
|
O11 .7432 .3757 .5766 .012 |
|
O12 .3369 .2180 .0812 .010 |
|
O13 .9761 .1253 .1148 .010 |
|
O14 .0875 .0315 .5853 .011 |
|
O15 .0890 .2159 .5854 .010 |
|
O16 .9953 .1272 .5818 .009 |
|
OH17 .3129 .7169 .2983 .011 |
|
OH18 .1885 .5331 .2063 .012 |
|
OH19 .1895 .0252 .2009 .011 |
|
OH20 .3079 .2263 .2886 .011 |
|
OH21 .0589 .9713 .3019 .006 |
|
OH22 .5914 .3740 .7051 .007 |
|
OH23 .1534 .1256 .8014 .015 |
|
OH24 .9413 .2199 .6993 .007 |
|
OH25 .9400 .2808 .1980 .007 |
|
OH26 .0595 .4711 .3004 .007 |
|
OH27 .8490 .6250 .7029 .012 |
|
OH28 .0924 .6244 .2032 .007 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Cu O6 Pt Sr3 |
| |
Hodeau J, Tu H, Bordet P, Fournier T, Strobel P, Marezio M, Chandrashekhar G |
 |
Acta Crystallographica B48 (1992) 1-11 |
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Structure and twinning of Sr3CuPtO6 |
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_cod_database_code 1008498 |
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_database_code_amcsd 0016391 |
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9.317 9.720 6.685 90 91.95 90 C2/c |
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atom x y z |
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Pt1 .25 .25 .5 |
|
Cu1 0 .2987 .25 |
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Sr1 0 .8968 .25 |
|
Sr2 .3145 .0727 .1211 |
|
O1 .288 .815 .285 |
|
O2 .058 .341 .537 |
|
O3 .141 .073 .427 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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Li0.93 O4 Ti2 |
| |
Moshopoulou E, Bordet P, Capponi J, Chaillout C, Souletie B, Sulpice A |
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Journal of Alloys and Compounds 195 (1993) 81-84 |
|
Evolution of structure and superconductivity with lithium content in Li1-xTi2O4 |
|
_cod_database_code 1008595 |
|
_database_code_amcsd 0016486 |
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8.398 8.398 8.398 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
O1 .26261 .26261 .26261 .00614 .00614 .00614 -.00032 -.00032 -.00032 |
|
Li1 .125 .125 .125 .93 .0110 .0110 .0110 0 0 0 |
|
Ti1 .5 .5 .5 .9978 .00584 .00584 .00584 -.00083 -.00083 -.00083 |
|
Ti2 0 0 0 .0022 .00584 .00584 .00584 -.00083 -.00083 -.00083 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Li0.89 O4 Ti2 |
| |
Moshopoulou E, Bordet P, Capponi J, Chaillout C, Souletie B, Sulpice A |
| |
Journal of Alloys and Compounds 195 (1993) 81-84 |
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Evolution of structure and superconductivity with lithium content in Li1-xTi2O4 |
|
_cod_database_code 1008596 |
|
_database_code_amcsd 0016487 |
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8.387 8.387 8.387 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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O1 .26267 .26267 .26267 .00698 .00698 .00698 -.00020 -.00020 -.00020 |
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Li1 .125 .125 .125 .89 .0120 .0120 .0120 0 0 0 |
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Ti1 .5 .5 .5 .9925 .00689 .00689 .00689 -.00084 -.00084 -.00084 |
|
Ti2 0 0 0 .0075 .00689 .00689 .00689 -.00084 -.00084 -.00084 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Li0.86 O4 Ti2 |
| |
Moshopoulou E, Bordet P, Capponi J, Chaillout C, Souletie B, Sulpice A |
| |
Journal of Alloys and Compounds 195 (1993) 81-84 |
|
Evolution of structure and superconductivity with lithium content in Li1-xTi2O4 |
|
_cod_database_code 1008597 |
|
_database_code_amcsd 0016488 |
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8.386 8.386 8.386 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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O1 .26220 .26220 .26220 .0077 .0077 .0077 .00000 .00000 .00000 |
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Li1 .125 .125 .125 .86 .0108 .0108 .0108 0 0 0 |
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Ti1 .5 .5 .5 .9816 .00802 .00802 .00802 -.00074 -.00074 -.00074 |
|
Ti2 0 0 0 .0184 .00802 .00802 .00802 -.00074 -.00074 -.00074 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Os3.32 Si0.68 U2 |
| |
Verniere A, Lejay P, Bordet P, Chenavas J, Brison J, Haen P, Boucherle J |
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Journal of Alloys and Compounds 209 (1994) 251-255 |
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Crystal structures and physical properties of some new ternary |
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compounds U2 T3X (T= Ru, Os; X= Si, Ge) |
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_cod_database_code 1008673 |
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_database_code_amcsd 0016559 |
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7.436 7.436 7.436 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ |
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U1 .125 .125 .125 |
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Os1 .5 .5 .5 .83 |
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Si1 .5 .5 .5 .17 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ru2.83 Si1.17 U2 |
| |
Verniere A, Lejay P, Bordet P, Chenavas J, Brison J, Haen P, Boucherle J |
| |
Journal of Alloys and Compounds 209 (1994) 251-255 |
|
Crystal structures and physical properties of some new ternary |
|
compounds U2 T3X (T= Ru, Os; X= Si, Ge) |
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_cod_database_code 1008858 |
|
_database_code_amcsd 0016724 |
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5.501 5.501 11.367 90 90 120 R-3m |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
U1 0 0 .12290 .0150 .0150 .0101 .0075 0 0 |
|
Ru1 .5 0 0 .943 .0112 .0054 .0091 .0027 .0004 .0008 |
|
Si1 .5 0 0 .057 .0112 .0054 .0091 .0027 .0004 .0008 |
|
Si2 0 0 .5 .022 .022 .018 .011 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Er4 Ir13 Si9 |
| |
Verniere A, Lejay P, Bordet P, Chenavas J, Tholence J, Boucherle J, Keller N |
| |
Journal of Alloys and Compounds 218 (1995) 197-203 |
|
Crystal structure and physical properties of new ternary silicides R4T13X9 |
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(R, rare earth or uranium; T, rhodium or iridium; X, silicon or germanium) |
|
_cod_database_code 1008678 |
|
_database_code_amcsd 0016564 |
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18.84799 10.918 3.9153 90 90 90 *Pnmm |
|
0 .25 .25 |
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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) |
|
Er1 .79224 .0592 .25 .0071 .0104 .0052 .0015 0 0 |
|
Er2 .4804 .75 .25 .0073 .0076 .0051 0 0 0 |
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Er3 .9784 .25 .25 .0061 .0085 .0052 0 0 0 |
|
Ir1 .66439 .0664 .75 .0041 .0060 .0029 .0000 0 0 |
|
Ir2 .85797 .25 .75 .0023 .0079 .0195 0 0 0 |
|
Ir3 .65711 .25 .25 .0052 .0058 .0044 0 0 0 |
|
Ir4 .22752 .25 .75 .0024 .0067 .0032 0 0 0 |
|
Ir5 .46076 .0607 .25 .0018 .0071 .0042 .0002 0 0 |
|
Ir6 .04654 .0496 .75 .0041 .0076 .0028 -.0013 0 0 |
|
Ir7 .85708 .8743 .75 .0031 .0061 .0028 -.0010 0 0 |
|
Ir8 .64473 .8777 .25 .0043 .0055 .0044 .0000 0 0 |
|
Si1 .6016 .75 .75 |
|
Si2 .5844 .4304 .25 |
|
Si3 .9183 .0611 .75 |
|
Si4 .8975 .75 .25 |
|
Si5 .2708 .3778 .25 |
|
Si6 .2666 .75 .25 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ce Ir3 Si2 |
| |
Verniere A, Lejay P, Bordet P, Chenavas J, Tholence J, Boucherle J, Keller N |
| |
Journal of Alloys and Compounds 218 (1995) 197-203 |
|
Crystal structure and physical properties of new ternary silicides R4T13X9 |
|
(R, rare earth or uranium; T, rhodium or iridium; X, silicon or germanium) |
|
_cod_database_code 1008679 |
|
_database_code_amcsd 0016565 |
|
7.1838 9.7373 5.6018 90 90 90 Imma |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ce1 0 .25 .7201 .0071 .0104 .0052 .0015 0 0 |
|
Ir1 .2817 0 0 .0073 .0076 .0051 0 0 0 |
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Ir2 .25 .25 .25 .0061 .0085 .0052 0 0 0 |
|
Si1 0 .0749 .1956 .0041 .0060 .0029 .0000 0 0 |
|
|
| 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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|
| |
|
O9 V5 |
| |
Le Page Y, Bordet P, Marezio M |
| |
Journal of Solid State Chemistry 92 (1991) 380-385 |
|
Valence ordering in V5O9 below 120K |
|
_cod_database_code 1008515 |
|
_database_code_amcsd 0016408 |
|
7.0050 8.3629 10.9833 91.98 108.34 110.39 P-1 |
|
atom x y z |
|
V1 .74760 .00644 .75577 |
|
V2 .58784 .78814 .93148 |
|
V3 .43164 .56995 .11640 |
|
V4 .24718 .99531 .75262 |
|
V5 .09433 .79979 .91712 |
|
V6 .93607 .57808 .11016 |
|
V7 .93144 .21598 .57272 |
|
V8 .06263 .42146 .39242 |
|
V9 .40830 .19497 .56580 |
|
V10 .56156 .40927 .39304 |
|
O1 .48842 .91514 .29485 |
|
O2 .30436 .67990 .45289 |
|
O3 .35492 .86954 .87953 |
|
O4 .17669 .63287 .04236 |
|
O5 .20374 .96731 .05821 |
|
O6 .04505 .75165 .23477 |
|
O7 .86631 .53543 .40540 |
|
O8 .61988 .79688 .11262 |
|
O9 .47675 .57386 .28102 |
|
O10 .01656 .07691 .20866 |
|
O11 .19417 .32441 .04700 |
|
O12 .16692 .14495 .62349 |
|
O13 .32586 .36767 .46044 |
|
O14 .28420 .02054 .43551 |
|
O15 .45526 .24202 .26453 |
|
O16 .62805 .46083 .09261 |
|
O17 .87117 .18480 .38572 |
|
O18 .00911 .41016 .21031 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
O9 V5 |
| |
Le Page Y, Bordet P, Marezio M |
| |
Journal of Solid State Chemistry 92 (1991) 380-385 |
|
Valence ordering in V5O9 below 120K |
|
_cod_database_code 1008536 |
|
_database_code_amcsd 0016429 |
|
7.002 8.3516 10.9052 91.91 108.39 110.50 B-1 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
V1 .75 0 .75 .0560 .0598 .0604 .0304 .0187 .0097 |
|
V2 .57992 .79196 .92499 .0484 .0491 .0529 .0218 .0222 .0133 |
|
V3 .43492 .57526 .11119 .0461 .0473 .0462 .0226 .0141 .0049 |
|
V4 .25 0 .75 .0517 .0539 .0605 .0259 .0279 .0230 |
|
V5 .08668 .79704 .92329 .0514 .0484 .0656 .0249 .0285 .0256 |
|
V6 .93541 .57951 .10855 .0417 .0478 .0431 .0149 .0183 .0080 |
|
O1 .4864 .92074 .29249 .073 .085 .081 .041 .038 .031 |
|
O2 .3027 .67735 .45282 .056 .065 .069 .025 .022 .020 |
|
O3 .3440 .86266 .87832 .064 .077 .080 .038 .036 .031 |
|
O4 .1759 .63329 .04135 .049 .066 .060 .029 .021 .020 |
|
O5 .2119 .97698 .06285 .076 .060 .061 .020 .027 .007 |
|
O6 .0485 .75928 .23640 .080 .068 .065 .029 .029 .012 |
|
O7 .8721 .54041 .40543 .063 .056 .067 .025 .028 .012 |
|
O8 .6197 .80036 .10888 .078 .067 .058 .023 .026 .013 |
|
O9 .4820 .58155 .28150 .076 .074 .064 .028 .023 .018 |
|
|
| 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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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 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
|
| |
|
Bi2 K1.4 O7 Sr1.6 |
| |
Pshirkov J, Kazakov S, Bougerol-Chaillout C, Bordet P, Capponi J, |
|
Putilin S, Antipov E |
| |
Journal of Solid State Chemistry 144 (1999) 405-408 |
|
A new layered bismuthate (Sr,K)3 Bi2 O7: synthesis and crystal structure |
|
_cod_database_code 1009011 |
|
_database_code_amcsd 0016873 |
|
4.1549 4.1549 21.82729 90 90 90 I4/mmm |
|
atom x y z occ |
|
Sr1 0 0 .5 |
|
Sr2 0 0 .3066 .3 |
|
K1 0 0 .3066 .7 |
|
Bi1 0 0 .0987 |
|
O1 0 0 0 |
|
O2 0 .5 .0850 |
|
O3 0 0 .193 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
As Ga O4 |
| |
Philippot E, Armand P, Yot P, Cambon O, Goiffon A, McIntyre G, Bordet P |
| |
Journal of Solid State Chemistry 146 (1999) 114-123 |
|
Neutron and x-ray structure refinements between 15 and 1083 K of |
|
piezoelectric gallium arsenate, Ga As O4: temperature and pressure |
|
behavior compared with other alpha-quartz materials |
|
_cod_database_code 1009000 |
|
_database_code_amcsd 0016862 |
|
4.9940 4.9940 11.3871 90 90 120 P3_121 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ga1 .44991 0 1/3 .00202 .00198 .00201 0 0 -.00009 |
|
As1 .44800 0 .8333 .00210 .00177 .00183 0 0 -.00009 |
|
O1 .39848 .31858 .38307 .00552 .00395 .00432 .00311 -.00111 -.00138 |
|
O2 .39674 .29595 .87152 .00574 .00372 .00446 .00327 -.00089 -.00109 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
As Ga O4 |
| |
Philippot E, Armand P, Yot P, Cambon O, Goiffon A, McIntyre G, Bordet P |
| |
Journal of Solid State Chemistry 146 (1999) 114-123 |
|
Neutron and x-ray structure refinements between 15 and 1083 K of |
|
piezoelectric gallium arsenate, Ga As O4: temperature and pressure |
|
behavior compared with other alpha-quartz materials |
|
_cod_database_code 1009001 |
|
_database_code_amcsd 0016863 |
|
4.9942 4.9942 11.3816 90 90 120 P3_121 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ga1 .45092 0 1/3 .00865 .00740 .00711 0 0 -.00068 |
|
As1 .44933 0 .8333 .00807 .00641 .00656 0 0 -.00048 |
|
O1 .39910 .31683 .38363 .01784 .01311 .01145 .01064 -.00459 -.00442 |
|
O2 .39816 .29426 .87213 .01810 .01255 .01202 .01073 -.00471 -.00424 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
As Ga O4 |
| |
Philippot E, Armand P, Yot P, Cambon O, Goiffon A, McIntyre G, Bordet P |
| |
Journal of Solid State Chemistry 146 (1999) 114-123 |
|
Neutron and x-ray structure refinements between 15 and 1083 K of |
|
piezoelectric gallium arsenate, Ga As O4: temperature and pressure |
|
behavior compared with other alpha-quartz materials |
|
_cod_database_code 1009002 |
|
_database_code_amcsd 0016864 |
|
4.997 4.997 11.379 90 90 120 P3_121 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ga1 .4516 0 1/3 .0083 .0090 .0081 0 0 -.0010 |
|
As1 .4494 0 .8333 .0096 .0062 .0068 0 0 .0003 |
|
O1 .3997 .3181 .3838 .023 .014 .011 .018 .006 .006 |
|
O2 .398 .2929 .8716 .015 .016 .014 .009 -.004 -.006 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
As Ga O4 |
| |
Philippot E, Armand P, Yot P, Cambon O, Goiffon A, McIntyre G, Bordet P |
| |
Journal of Solid State Chemistry 146 (1999) 114-123 |
|
Neutron and x-ray structure refinements between 15 and 1083 K of |
|
piezoelectric gallium arsenate, Ga As O4: temperature and pressure |
|
behavior compared with other alpha-quartz materials |
|
_cod_database_code 1009003 |
|
_database_code_amcsd 0016865 |
|
5.007 5.007 11.391 90 90 120 P3_121 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ga1 .4523 0 1/3 .010 .011 .0099 0 0 -.0019 |
|
As1 .4496 0 .8333 .0123 .0083 .0079 0 0 .0007 |
|
O1 .400 .315 .3838 .019 .018 .016 .016 .004 .004 |
|
O2 .400 .293 .8720 .030 .025 .015 .019 -.008 -.008 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
As Ga O4 |
| |
Philippot E, Armand P, Yot P, Cambon O, Goiffon A, McIntyre G, Bordet P |
| |
Journal of Solid State Chemistry 146 (1999) 114-123 |
|
Neutron and x-ray structure refinements between 15 and 1083 K of |
|
piezoelectric gallium arsenate, Ga As O4: temperature and pressure |
|
behavior compared with other alpha-quartz materials |
|
_cod_database_code 1009004 |
|
_database_code_amcsd 0016866 |
|
5.011 5.011 11.388 90 90 120 P3_121 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ga1 .4521 0 1/3 .014 .013 .013 0 0 -.0017 |
|
As1 .4505 0 .8333 .0150 .0112 .0109 .0 0 .0002 |
|
O1 .400 .317 .3842 .030 .026 .019 .023 .007 .006 |
|
O2 .400 .291 .8725 .030 .020 .021 .019 -.007 -.009 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
As Ga O4 |
| |
Philippot E, Armand P, Yot P, Cambon O, Goiffon A, McIntyre G, Bordet P |
| |
Journal of Solid State Chemistry 146 (1999) 114-123 |
|
Neutron and x-ray structure refinements between 15 and 1083 K of |
|
piezoelectric gallium arsenate, Ga As O4: temperature and pressure |
|
behavior compared with other alpha-quartz materials |
|
_cod_database_code 1009005 |
|
_database_code_amcsd 0016867 |
|
5.017 5.017 11.401 90 90 120 P3_121 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ga1 .4526 0 1/3 .018 .016 .015 0 0 -.0016 |
|
As1 .4516 0 .8333 .0172 .0138 .0134 0 0 -.0002 |
|
O1 .401 .315 .3844 .040 .027 .021 .027 .008 .010 |
|
O2 .400 .291 .8724 .038 .031 .022 .024 -.009 -.011 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
As Ga O4 |
| |
Philippot E, Armand P, Yot P, Cambon O, Goiffon A, McIntyre G, Bordet P |
| |
Journal of Solid State Chemistry 146 (1999) 114-123 |
|
Neutron and x-ray structure refinements between 15 and 1083 K of |
|
piezoelectric gallium arsenate, Ga As O4: temperature and pressure |
|
behavior compared with other alpha-quartz materials |
|
_cod_database_code 1009006 |
|
_database_code_amcsd 0016868 |
|
5.025 5.025 11.408 90 90 120 P3_121 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ga1 .4533 0 1/3 .021 .019 .018 0 0 -.0012 |
|
As1 .4522 0 .8333 .0208 .0163 .0158 0 0 -.0006 |
|
O1 .401 .315 .3846 .046 .035 .025 .033 .010 .011 |
|
O2 .402 .290 .8730 .042 .034 .026 .027 -.010 -.011 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
As Ga O4 |
| |
Philippot E, Armand P, Yot P, Cambon O, Goiffon A, McIntyre G, Bordet P |
| |
Journal of Solid State Chemistry 146 (1999) 114-123 |
|
Neutron and x-ray structure refinements between 15 and 1083 K of |
|
piezoelectric gallium arsenate, Ga As O4: temperature and pressure |
|
behavior compared with other alpha-quartz materials |
|
_cod_database_code 1009007 |
|
_database_code_amcsd 0016869 |
|
5.033 5.033 11.411 90 90 120 P3_121 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ga1 .4537 0 1/3 .025 .02 .021 0 0 -.0018 |
|
As1 .4531 0 .8333 .0233 .0188 .0183 0 0 -.0005 |
|
O1 .401 .314 .3849 .052 .039 .027 .034 .012 .013 |
|
O2 .402 .291 .8732 .051 .039 .030 .032 -.011 -.012 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
As Ga O4 |
| |
Philippot E, Armand P, Yot P, Cambon O, Goiffon A, McIntyre G, Bordet P |
| |
Journal of Solid State Chemistry 146 (1999) 114-123 |
|
Neutron and x-ray structure refinements between 15 and 1083 K of |
|
piezoelectric gallium arsenate, Ga As O4: temperature and pressure |
|
behavior compared with other alpha-quartz materials |
|
_cod_database_code 1009008 |
|
_database_code_amcsd 0016870 |
|
5.040 5.040 11.408 90 90 120 P3_121 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ga1 .4542 0 1/3 .029 .02 .023 0 0 -.0021 |
|
As1 .4539 0 .8333 .0262 .0217 .0211 0 0 -.0006 |
|
O1 .401 .312 .3851 .060 .044 .035 .041 .012 .014 |
|
O2 .402 .289 .8736 .059 .042 .034 .036 -.012 -.012 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
As Ga O4 |
| |
Philippot E, Armand P, Yot P, Cambon O, Goiffon A, McIntyre G, Bordet P |
| |
Journal of Solid State Chemistry 146 (1999) 114-123 |
|
Neutron and x-ray structure refinements between 15 and 1083 K of |
|
piezoelectric gallium arsenate, Ga As O4: temperature and pressure |
|
behavior compared with other alpha-quartz materials |
|
_cod_database_code 1009009 |
|
_database_code_amcsd 0016871 |
|
5.051 5.051 11.421 90 90 120 P3_121 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ga1 .4548 0 1/3 .032 .03 .026 0 0 -.0023 |
|
As1 .4549 0 .8333 .0287 .023 .0233 0 0 -.0003 |
|
O1 .400 .309 .3853 .0069 .048 .040 .047 .012 .017 |
|
O2 .404 .289 .8736 .059 .046 .040 .035 -.014 -.014 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
As Ga O4 |
| |
Philippot E, Armand P, Yot P, Cambon O, Goiffon A, McIntyre G, Bordet P |
| |
Journal of Solid State Chemistry 146 (1999) 114-123 |
|
Neutron and x-ray structure refinements between 15 and 1083 K of |
|
piezoelectric gallium arsenate, Ga As O4: temperature and pressure |
|
behavior compared with other alpha-quartz materials |
|
_cod_database_code 1009010 |
|
_database_code_amcsd 0016872 |
|
5.059 5.059 11.424 90 90 120 P3_121 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ga1 .4557 0 1/3 .03 .03 .029 0 0 -.0030 |
|
As1 .4554 0 .8333 .0334 .025 .0264 0 0 -.0004 |
|
O1 .403 .311 .3856 .081 .052 .045 .053 .013 .017 |
|
O2 .404 .286 .8745 .068 .051 .045 .039 -.015 -.015 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ba2 Cu Hg O4.12 |
| |
Marezio M, Alexandre E, Bordet P, Capponi J, Chaillout C, Kopnin E, |
|
Loureiro S, Radaelli P, Van Tendeloo G |
| |
Journal of Superconductivity 8 (1995) 507-510 |
|
Cation and anion disorder in Hg Ba2 Can-1 Cun O2n+2+d |
|
_cod_database_code 1008723 |
|
_database_code_amcsd 0016607 |
|
3.87320 3.87320 9.48088 90 90 90 P4/mmm |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Hg1 0 0 0 .0165 .0165 .0166 0 0 0 |
|
Ba1 .5 .5 .29520 |
|
Cu1 0 0 .5 |
|
O1 .5 0 .5 |
|
O2 0 0 .2068 .037 .037 .002 0 0 0 |
|
O3 .5 .5 0 .12 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ba2 Cu4 O8.06 Y |
| |
Karpinski J, Kaldis E, Rusiecki S, Jilek E, Fischer P, Bordet P, Chaillout C, |
|
Chenavas J, Hodeau J, Marezio M |
| |
Journal of the Less-Common Metals 150 (1989) 129-137 |
|
Two New Bulk Superconducting Phases in the Y-Ba-Cu-O System: Y Ba2 |
|
Cu3.5 O7+x (Tc 40K) and Y Ba2 Cu4 O8+x (Tc 80K) |
|
_cod_database_code 1008448 |
|
_database_code_amcsd 0016353 |
|
3.8415 3.8707 27.240 90 90 90 Ammm |
|
atom x y z occ |
|
Y1 .5 .5 0 |
|
Ba1 .5 .5 .1356 |
|
Cu1 0 0 .2127 |
|
Cu2 0 0 .0614 |
|
O1 0 0 .1454 |
|
O2 .5 0 .0524 |
|
O3 0 .5 .0528 |
|
O4 0 .5 .2187 .996 |
|
O5 .5 0 .254 .032 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Cu La2 O4 |
| |
Chaillout C, Bordet P, Chenavas J, Cheong S, Fisk Z, Marezio M, |
|
Morosin B, Schirber J |
| |
Materials Research Society Symposia Proceedings 169 (1990) 47-52 |
|
Structural aspects of the phase separation in La2CuO4.032 |
|
_cod_database_code 1008572 |
|
_database_code_amcsd 0016463 |
|
5.350 13.148 5.398 90 90 90 Cmca |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
La1 0 .36111 .0069 .0055 .0030 .0022 0 0 .0002 |
|
Cu1 0 0 0 .0042 .0050 .0001 0 0 0 |
|
O1 0 .18307 -.0356 .943 .0077 .0040 .0123 0 0 -.0014 |
|
O2 .25 .99303 .75 .993 .0055 .0094 .0023 0 .0007 0 |
|
O3 .030 .182 .100 .024 |
|
O4 .25 .243 .25 .016 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Cu La2 O4.024 |
| |
Chaillout C, Bordet P, Chenavas J, Cheong S, Fisk Z, Marezio M, |
|
Morosin B, Schirber J |
| |
Materials Research Society Symposia Proceedings 169 (1990) 47-52 |
|
Structural aspects of the phase separation in La2CuO4.032 |
|
_cod_database_code 1008573 |
|
_database_code_amcsd 0016464 |
|
5.350 13.148 5.398 90 90 90 Fmmm |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
La1 0 .36109 0 .0076 .0029 .0019 0 0 0 |
|
Cu1 0 0 0 .005 .0050 .001 0 0 0 |
|
O1 0 .1813 0 .80 .012 .001 .059 0 0 0 |
|
O2 .25 0 .75 .996 .008 .0191 .00001 0 -.0007 0 |
|
O3 -.01 .191 .046 .05 |
|
O4 .25 .25 .75 .016 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Perhamite |
|
Mills S, Mumme G, Grey I, Bordet P |
| |
Mineralogical Magazine 70 (2006) 201-209 |
|
The crystal structure of perhamite |
|
Note: H positions unknown |
|
Locality: Emmons mine, Greenwood, Maine |
|
_database_code_amcsd 0014576 |
|
7.021 7.021 20.218 90 90 120 P-3m1 |
|
atom x y z occ Uiso |
|
Ca1 0 0 0 .7 .015 |
|
Sr 0 0 0 .3 .015 |
|
Ca2 1/3 2/3 .7446 .0193 |
|
P1 1/3 2/3 .9829 .0085 |
|
P2 0 0 .2470 .0088 |
|
Al1 .1657 .3314 .8693 .0082 |
|
Al2 0 0 .4071 .85 .0196 |
|
Si1 0 0 .4071 .15 .0196 |
|
Si2 .1573 .7508 .4991 .225 .020 |
|
O1 .4288 .2144 .0435 .011 |
|
O2 1/3 2/3 .0580 .012 |
|
O3 .1262 .2524 .1085 .009 |
|
O4 .9137 .4569 .1591 .010 |
|
O5 .2394 .1197 .2231 .011 |
|
O6 0 0 .3231 .021 |
|
O7 .269 .135 .4357 .5 .047 |
|
O8 .134 .268 .4339 .5 .060 |
|
O9 .5 0 .5 .234 .22 |
|
O10 1/3 2/3 .496 .08 .08 |
|
Wat1 1/3 2/3 .2366 .056 |
|
Wat2 .969 .4847 .3351 .5 .037 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ba2.1 Cu3 O6 Y0.9 |
| |
Bordet P, Chaillout C, Capponi J, Chenavas J, Marezio M |
| |
Nature 327 (1987) 687-689 |
|
Crystal structure of Y0.9 Ba2.1 Cu3 O6, a compound related to |
|
the high-Tc superconductor Y Ba2 Cu3 O7. |
|
_cod_database_code 1008355 |
|
_database_code_amcsd 0016266 |
|
3.8715 3.8715 11.738 90 90 90 P4/mmm |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ba1 .5 .5 .1921 .0105 .0105 .0148 0 0 0 |
|
Y1 .5 .5 .5 .89 .0051 .0051 .0111 0 0 0 |
|
Ba2 .5 .5 .5 .11 .0051 .0051 .0111 0 0 0 |
|
Cu1 0 0 0 .0193 .0193 .017 0 0 0 |
|
Cu2 0 0 .3605 .0029 .0029 .0129 0 0 0 |
|
O1 0 0 .154 .018 .018 .010 0 0 0 |
|
O2 .5 0 .3794 .003 .009 .015 0 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ba4 Cu7 O14.3 Y2 |
| |
Bordet P, Chaillout C, Chenavas J, Hodeau J, Marezio M, Karpinski J, Kaldis E |
| |
Nature (London) 334 (1988) 596-598 |
|
Structure Determination of the new high-temperature Superconductor |
|
Y Ba Cu O (2/4/7/14.30) |
|
_cod_database_code 1008369 |
|
_database_code_amcsd 0016279 |
|
3.851 3.869 50.29 90 90 90 Ammm |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ba1 .5 .5 .04310 .0141 .0147 .0094 0 0 0 |
|
Ba2 .5 .5 .18797 .0059 .0063 .0070 0 0 0 |
|
Y1 .5 .5 .11545 .0003 -.0017 .0009 0 0 0 |
|
Cu1 0 0 0 .042 .047 .020 0 0 0 |
|
Cu2 0 0 .08293 .0033 .0053 .0084 0 0 0 |
|
Cu3 0 0 .14831 .0027 .0045 .0071 0 0 0 |
|
Cu4 0 0 .23012 .7 .011 .0048 .0015 0 0 0 |
|
Cu5 0 0 .23012 .3 .011 .0048 .0015 0 0 0 |
|
O1 0 0 .0353 .010 .09 .10 0 0 0 |
|
O2 .5 0 .0871 |
|
O3 0 .5 .0865 |
|
O4 .5 0 .1430 |
|
O5 0 .5 .1432 |
|
O6 0 0 .1937 |
|
O7 0 .5 .2328 |
|
O8 0 .5 0 .10 |
|
O9 .5 0 0 .20 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Bi O3 Sr |
| |
Kazakov S, Chaillout C, Bordet P, Capponi J, Nunez-Regueiro M, |
|
Rysak A, Tholence J, Radaelli P, Putilin S, Antipov E |
| |
Nature (London) 390 (1997) 148-150 |
|
Discovery of a second family of bismuth-oxide-based superconductors |
|
_cod_database_code 1008815 |
|
_database_code_amcsd 0016685 |
|
5.9480 6.0951 8.4854 90 90.063 90 P2_1/n |
|
atom x y z |
|
Sr1 -.0152 .5455 .251 |
|
Bi1 0 0 0 |
|
Bi2 0 0 .5 |
|
O1 .4056 .4617 .241 |
|
O2 .284 .190 .546 |
|
O3 .187 .714 .556 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Bi K0.56 O3 Sr0.44 |
| |
Kazakov S, Chaillout C, Bordet P, Capponi J, Nunez-Regueiro M, |
|
Rysak A, Tholence J, Radaelli P, Putilin S, Antipov E |
| |
Nature (London) 390 (1997) 148-150 |
|
Discovery of a second family of bismuth-oxide-based superconductors |
|
_cod_database_code 1008816 |
|
_database_code_amcsd 0016686 |
|
5.9416 5.9416 8.4394 90 90 90 I4/mcm |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Sr1 0 .5 .75 .44 |
|
K1 0 .5 .75 .56 |
|
Bi1 0 0 0 |
|
O1 0 0 .25 .033 .033 .009 0 0 0 |
|
O2 .2219 .7219 0 .011 .011 .060 0 0 0 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cl Cu3 O8 Pb3 Sr3 |
| |
Cava R, Bordet P, Capponi J, Chaillout C, Chenavas J, Fournier T, |
|
Hewat E, Hodeau J, Levy J, Marezio M, Batlogg B, Rupp |
| |
Physica C 167 (1990) 67-74 |
|
Pb3Sr3Cu3O8+$-deltaCl: a new layered copper oxychloride |
|
_cod_database_code 1008489 |
|
_database_code_amcsd 0016382 |
|
5.444 5.495 19.49 90 90 90 Cmmm |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Pb1 0 0 .40972 .0206 .0180 .0141 0 0 0 |
|
Sr1 .5 0 .27579 .0179 .0159 .0230 0 0 0 |
|
Pb2 .5 0 .09985 .5 .0119 .0116 .0273 0 0 0 |
|
Sr2 .5 0 .09985 .5 .0119 .0116 .0273 0 0 0 |
|
Cu1 .5 0 .5 .0191 .0183 .0067 0 0 0 |
|
Cu2 0 0 .18304 .0149 .0131 .0167 0 0 0 |
|
O1 0 0 .30277 |
|
O2 .4288 .0743 .4126 .25 |
|
O3 .25 .25 .17446 |
|
Cl1 0 0 0 .0250 .0306 .0777 0 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Au0.099 Ba2 Cu2.901 O6.5 Y |
| |
Renevier H, Hodeau J, Fournier T, Bordet P, Marezio M |
| |
Physica C 172 (1990) 183-189 |
|
Gold effect on chemical bonding in YBa2(Cu1-y,Auy)4/3O6+x |
|
_cod_database_code 1008490 |
|
_database_code_amcsd 0016383 |
|
3.842 3.878 11.765 90 90 90 Pmmm |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Y1 .5 .5 .5 .0081 .0081 .0083 0 0 0 |
|
Ba1 .5 .5 .19057 .0112 .0112 .0107 0 0 0 |
|
Cu1 0 0 0 .901 .0112 .0112 .0048 0 0 0 |
|
Au1 0 0 0 .099 .0112 .0112 .0048 0 0 0 |
|
Cu2 0 0 .35872 .0069 .0069 .0102 0 0 0 |
|
O1 0 0 .1574 .022 .022 .010 0 0 0 |
|
O2 0 .5 .3785 .011 .006 .013 0 0 0 |
|
O4 0 .5 0 .5 .032 .036 .009 0 0 0 |
|
|
| Download AMC data (View Text File)
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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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View JMOL 3-D Structure
|
| |
|
Li Nb O2 |
| |
Bordet P, Moshopoulou E, Liesert S, Capponi J |
| |
Physica C 235 (1994) 745-746 |
|
Structure and physical properties of Li(1-x) Nb O2 single crystals |
|
_cod_database_code 1008671 |
|
_database_code_amcsd 0016557 |
|
2.9210 2.9210 10.459 90 90 120 P6_3/mmc |
|
atom x y z |
|
Li1 0 0 0 |
|
Nb1 1/3 2/3 .75 |
|
O1 1/3 2/3 .1285 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Li0.795 Nb O2 |
| |
Bordet P, Moshopoulou E, Liesert S, Capponi J |
| |
Physica C 235 (1994) 745-746 |
|
Structure and physical properties of Li(1-x) Nb O2 single crystals |
|
_cod_database_code 1008672 |
|
_database_code_amcsd 0016558 |
|
2.9239 2.9239 20.91299 90 90 120 P-3m1 |
|
atom x y z occ |
|
Li1 0 0 0 |
|
Li2 0 0 .5 .5 |
|
Li3 0 0 .248 .84 |
|
Nb1 1/3 2/3 .3741 |
|
Nb2 1/3 2/3 .8755 |
|
O1 1/3 2/3 .058 |
|
O2 1/3 2/3 .680 |
|
O3 1/3 2/3 .188 |
|
O4 1/3 2/3 .572 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
LiTi2O4 |
| |
Moshopoulou E, Bordet P, Sulpice A, Capponi J |
| |
Physica C 235 (1994) 747-748 |
|
Evolution of structure and superconductivity of Li(1-x)Ti2O4 single |
|
crystals without Ti cation disorder |
|
Note: Spinel structure |
|
_cod_database_code 1008791 |
|
_database_code_amcsd 0016663 |
|
8.4210 8.4210 8.4210 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Li .125 .125 .125 1.03 .0084 .0084 .0084 0 0 0 |
|
Ti .5 .5 .5 .00449 .00449 .00449 -.00069 -.00069 -.00069 |
|
O .26294 .26294 .26294 .0050 .0050 .0050 -.0004 -.0004 -.0004 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Li.89Ti2O4 |
| |
Moshopoulou E, Bordet P, Sulpice A, Capponi J |
| |
Physica C 235 (1994) 747-748 |
|
Evolution of structure and superconductivity of Li(1-x)Ti2O4 single |
|
crystals without Ti cation disorder |
|
Note: spinel structure |
|
_cod_database_code 1008792 |
|
_database_code_amcsd 0016664 |
|
8.4160 8.4160 8.4160 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Li1 .125 .125 .125 .89 .0099 .0099 .0099 0 0 0 |
|
Ti1 .5 .5 .5 .00520 .00520 .00520 -.00069 -.00069 -.00069 |
|
O1 .26303 .26303 .26303 .00525 .00525 .00525 -.00032 -.00032 -.00032 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Li.75Ti2O4 |
| |
Moshopoulou E, Bordet P, Sulpice A, Capponi J |
| |
Physica C 235 (1994) 747-748 |
|
Evolution of structure and superconductivity of Li(1-x)Ti2O4 single |
|
crystals without Ti cation disorder |
|
Note: spinel structure |
|
_cod_database_code 1008793 |
|
_database_code_amcsd 0016665 |
|
8.4030 8.4030 8.4030 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Li1 .125 .125 .125 .75 .081 .081 .081 0 0 0 |
|
Ti1 .5 .5 .5 .00609 .00609 .00609 -.00071 -.00071 -.00071 |
|
O1 .26315 .26315 .26315 .00585 .00585 .00585 -.00023 -.00023 -.00023 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Ca2 Cu3 Hg0.692 O8.6 |
| |
Kopnin E, Antipov E, Capponi J, Bordet P, Chaillout C, de Brion S, |
|
Marezio M, Bobylev A, Van Tendeloo G |
| |
Physica C 243 (1995) 222-232 |
|
Suppression of superconductivity in Hg-1223 and Hg-1234 by partial |
|
replacement of Hg by carbon |
|
_cod_database_code 1008674 |
|
_database_code_amcsd 0016560 |
|
3.86521 3.86521 15.6486 90 90 90 P4/mmm |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Hg1 0 0 .5 .692 .029 .029 -.001 0 0 0 |
|
Ba1 .5 .5 .3276 |
|
Ca1 .5 .5 .1059 |
|
Cu1 0 0 0 |
|
Cu2 0 0 .2041 |
|
O1 .5 0 0 |
|
O2 .5 0 .1990 |
|
O3 0 0 .388 |
|
O4 .5 .5 .5 .60 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Cu Hg0.96 O4.34 |
| |
Alexandre E, Loureiro S, Antipov E, Bordet P, de Brion S, Capponi J, Marezio M |
| |
Physica C 245 (1995) 207-211 |
|
On the possibility of replacing Hg by Cu in the Hg Ba2 Cu O(4+d) phase |
|
synthesized under high-pressure |
|
_cod_database_code 1008675 |
|
_database_code_amcsd 0016561 |
|
3.86390 3.86390 9.4771 90 90 90 P4/mmm |
|
atom x y z occ |
|
Hg1 0 0 0 .96 |
|
Ba1 .5 .5 .2946 |
|
Cu1 0 0 .5 |
|
O1 0 0 .211 |
|
O2 0 .5 .5 |
|
O3 .5 .5 0 .34 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Cu Hg0.98 O4.34 |
| |
Alexandre E, Loureiro S, Antipov E, Bordet P, de Brion S, Capponi J, Marezio M |
| |
Physica C 245 (1995) 207-211 |
|
On the possibility of replacing Hg by Cu in the Hg Ba2 Cu O(4+d) phase |
|
synthesized under high-pressure |
|
_cod_database_code 1008676 |
|
_database_code_amcsd 0016562 |
|
3.86586 3.86586 9.4764 90 90 90 P4/mmm |
|
atom x y z occ |
|
Hg1 0 0 0 .98 |
|
Ba1 .5 .5 .2950 |
|
Cu1 0 0 .5 |
|
O1 0 0 .203 |
|
O2 0 .5 .5 |
|
O3 .5 .5 0 .34 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Au0.17 Ba2 Ca2 Cu3 Hg0.69 O8.3 |
| |
Bordet P, Le Floch S, Capponi J, Chaillout C, Gorius M, Marezio M, Tholence J, Radaelli P |
| |
Physica C 262 (1996) 151-158 |
|
Gold substitution in mercury cuprate superconductors |
|
_cod_database_code 1008771 |
|
_database_code_amcsd 0016648 |
|
3.8464 3.8464 15.739 90 90 90 P4/mmm |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Hg1 0 0 0 .69 .006 .006 .048 0 0 0 |
|
Au1 0 0 0 .17 .006 .006 .048 0 0 0 |
|
Ba1 .5 .5 .1728 .015 .015 .031 0 0 0 |
|
Ca1 .5 .5 .3978 |
|
Cu1 0 0 .5 |
|
Cu2 0 0 .2972 |
|
O1 .5 0 .5 |
|
O2 .5 0 .3004 |
|
O3 0 0 .1204 .005 .005 .056 0 0 0 |
|
O4 .5 .5 0 .30 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Au Ba2 Ca0.3 Cu2 O7 Y0.7 |
| |
Bordet P, LeFloch S, Chaillout C, Duc F, Gorius M, Perroux M, |
|
Capponi J, Toulemonde P, Tholence J |
| |
Physica C 276 (1997) 237-244 |
|
Au Ba2 (Y(1-x) Ca(x)) Cu2 O7: a new superconducting gold cuprate with |
|
Tc above 80 K |
|
_cod_database_code 1008814 |
|
_database_code_amcsd 0016684 |
|
3.8298 3.8420 12.111 90 90 90 Pmmm |
|
atom x y z occ |
|
Au1 0 0 0 |
|
Ba1 .5 .5 .199 |
|
Y1 .5 .5 .5 .7 |
|
Ca1 .5 .5 .5 .3 |
|
Cu1 0 0 .363 |
|
O1 0 0 .153 |
|
O2 .5 0 .39 |
|
O3 0 .5 .38 |
|
O4 .19 .5 0 .5 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Cu Hg0.88 O4.87 S0.18 |
| |
Bordet P, Loureiro S, LeFloch S, Capponi J, Chaillout C, Chenavas J, |
|
Tholence J, Antipov E, Radaelli P, Marezio M |
| |
Physica C 282 (1997) 65-68 |
|
High pressure synthesis and structure of the superconducting mercury |
|
cuprates (Hg(1-x) M(x)) Ba2 Ca(n-1) Cu(n) O(2+2n+d) with M= C, S |
|
_cod_database_code 1008817 |
|
_database_code_amcsd 0016687 |
|
3.8986 3.8986 9.2466 90 90 90 P4/mmm |
|
atom x y z occ |
|
Hg1 0 0 0 .88 |
|
Ba1 .5 .5 .2927 |
|
Cu1 0 0 .5 |
|
O1 0 .5 .5 |
|
O2 0 0 .2153 |
|
O3 .5 .5 0 .15 |
|
S1 0 .139 0 .045 |
|
O4 .330 .372 0 .045 |
|
O5 0 -.095 .138 .045 |
|
|
| 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 O6.877 Y |
| |
Sullivan J, Bordet P, Marezio M, Takenaka K, Uchida S |
| |
Physical Review B48 (1993) 10638-10641 |
|
Electron-density Fourier maps of an untwinned YBa2Cu3O6.877 |
|
single crystal by x-ray-diffraction data |
|
_cod_database_code 1008649 |
|
_database_code_amcsd 0016537 |
|
3.8184 3.8857 11.701 90 90 90 Pmmm |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Y1 .5 .5 .5 .00479 .00526 .00610 0 0 0 |
|
Ba1 .5 .5 .185580 .00879 .00744 .00889 0 0 0 |
|
Cu1 0 0 0 .00818 .00751 .00554 0 0 0 |
|
Cu2 0 0 .35588 .00454 .00493 .00929 0 0 0 |
|
O1 0 0 .1580 .0121 .0131 .0082 0 0 0 |
|
O2 .5 0 .37877 .0051 .0082 .0125 0 0 0 |
|
O3 0 .5 .37792 .0074 .0053 .0101 0 0 0 |
|
O4 0 .5 0 .877 .027 .0105 .0131 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 Cu2.78 O7 Y |
| |
Bordet P, Chaillout C, Fournier T, Marezio M, Kaldis E, Karpinski J, Jilek E |
| |
Physical Review B 47 (1993) 3465-3468 |
|
Evidence by x-ray diffraction for two apical oxygen sites in a copper- |
|
deficient Y Ba2 Cu2.78 O7 crystal |
|
_cod_database_code 1008857 |
|
_database_code_amcsd 0016723 |
|
3.8764 3.8764 11.624 90 90 90 P4/mmm |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Y1 .5 .5 .5 .0046 .0046 .0085 0 0 0 |
|
Ba1 .5 .5 .18937 .0147 .0147 .0114 0 0 0 |
|
Cu1 0 0 0 .787 .0235 .0235 .0081 0 0 0 |
|
Cu2 0 0 .3602 .0041 .0041 .0104 0 0 0 |
|
O1 0 0 .143 .96 .0041 .0041 .09 0 0 0 |
|
O2 .5 0 .3763 .006 .011 .011 0 0 0 |
|
O3 .5 0 0 .54 .30 .28 .015 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 Ca2 Cu3 Hg O8.16 |
| |
Armstrong A, David W, Gameson I, Edwards P, Capponi J, Bordet P, Marezio M |
| |
Physical Review B 52 (1995) 15551-15557 |
|
Pressure-induced structural changes in superconducting |
|
Hg Ba2 Ca(n-1)Cu(n) O(2n+2+d) (n=1,2,3) compounds |
|
_cod_database_code 1008863 |
|
_database_code_amcsd 0016731 |
|
3.85159 3.85159 15.7644 90 90 90 P4/mmm |
|
atom x y z occ |
|
Hg1 0 0 0 |
|
Ba1 .5 .5 .1696 |
|
Ca1 .5 .5 .3950 |
|
Cu1 0 0 .5 |
|
Cu2 0 0 .2986 |
|
O1 0 .5 .5 |
|
O2 .5 0 .3014 |
|
O3 0 0 .1256 |
|
O4 .5 .5 0 .16 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Ca2 Cu3 Hg O8.16 |
| |
Armstrong A, David W, Gameson I, Edwards P, Capponi J, Bordet P, Marezio M |
| |
Physical Review B 52 (1995) 15551-15557 |
|
Pressure-induced structural changes in superconducting |
|
Hg Ba2 Ca(n-1)Cu(n) O(2n+2+d) (n=1,2,3) compounds |
|
_cod_database_code 1008864 |
|
_database_code_amcsd 0016732 |
|
3.8089 3.8089 15.400 90 90 90 P4/mmm |
|
atom x y z occ |
|
Hg1 0 0 0 |
|
Ba1 .5 .5 .1674 |
|
Ca1 .5 .5 .3999 |
|
Cu1 0 0 .5 |
|
Cu2 0 0 .2963 |
|
O1 0 .5 .5 |
|
O2 .5 0 .3015 |
|
O3 0 0 .1265 |
|
O4 .5 .5 0 .16 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Ca2 Cu3 Hg O8.16 |
| |
Armstrong A, David W, Gameson I, Edwards P, Capponi J, Bordet P, Marezio M |
| |
Physical Review B 52 (1995) 15551-15557 |
|
Pressure-induced structural changes in superconducting |
|
Hg Ba2 Ca(n-1)Cu(n) O(2n+2+d) (n=1,2,3) compounds |
|
_cod_database_code 1008865 |
|
_database_code_amcsd 0016733 |
|
3.7608 3.7608 15.018 90 90 90 P4/mmm |
|
atom x y z occ |
|
Hg1 0 0 0 |
|
Ba1 .5 .5 .1651 |
|
Ca1 .5 .5 .3931 |
|
Cu1 0 0 .5 |
|
Cu2 0 0 .2934 |
|
O1 0 .5 .5 |
|
O2 .5 0 .3003 |
|
O3 0 0 .1309 |
|
O4 .5 .5 0 .16 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
YBa2Cu2Cu1.77Fe.23O7.13 |
| |
Bordet P, Hodeau J, Strobel P, Marezio M, Santoro A |
| |
Solid State Communications 66 (1988) 435-439 |
|
Neutron and electron diffraction study of YBa2Cu2Cu1.77Fe.23O7.13 |
|
_cod_database_code 1008426 |
|
_database_code_amcsd 0016333 |
|
3.8674 3.8674 11.6687 90 90 90 P4/mmm |
|
atom x y z occ |
|
Y .5 .5 .5 |
|
Ba .5 .5 .1855 |
|
Cu1 0 0 0 .77 |
|
Fe1 0 0 0 .23 |
|
Cu2 0 0 .35655 |
|
O1 0 0 .1575 |
|
O2 .5 0 .37803 |
|
O3 0 .5 0 .564 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
H2 I3 K O9 |
| |
Bordet P, Boucherle J, Santoro A, Marezio M |
| |
Solid State Ionics 21 (1986) 243-254 |
|
Crystal structure and proton conductivity of N H4 H2 (I O3)3 |
|
and K H2 (I O3)3 |
|
_cod_database_code 1008359 |
|
_database_code_amcsd 0016270 |
|
8.266 8.200 8.180 66.08 60.16 71.06 P-1 |
|
atom x y z |
|
I1 .81368 .18645 .75488 |
|
I2 .23951 .73478 .77795 |
|
I3 .30383 .20049 .78194 |
|
O1 .7755 .4272 .6010 |
|
O2 .8348 .0820 .5807 |
|
O3 .1213 .5541 .8212 |
|
O4 .4719 .6591 .6118 |
|
O5 .4647 .2309 .8519 |
|
O6 .0604 .1835 .6602 |
|
O7 .4040 -.0211 .7514 |
|
O8 .2635 .6402 .0069 |
|
O9 .1175 .1358 .0325 |
|
K1 .7233 .7202 .7623 |
|
|
| Download AMC data (View Text File)
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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)
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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)
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View JMOL 3-D Structure
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Fe21.34 Li9.28 O32 |
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Pernet M, Strobel P, Bonnet B, Bordet P, Chabre Y |
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Solid State Ionics 66 (1993) 259-265 |
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Structural and electrochemical study of lithium insertion into gamma-Fe2O3 |
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_cod_database_code 1008636 |
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_database_code_amcsd 0016525 |
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8.4325 8.4325 8.4325 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ |
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Fe1 .5 .5 .5 .894 |
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Li1 .5 .5 .5 .106 |
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Fe2 0 0 0 .368 |
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Li2 0 0 0 .474 |
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Fe3 .125 .125 .125 .143 |
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O3 .2539 .2539 .2539 |
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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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Fe21.33 Li9.07 O32 |
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Pernet M, Strobel P, Bonnet B, Bordet P, Chabre Y |
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Solid State Ionics 66 (1993) 259-265 |
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Structural and electrochemical study of lithium insertion into gamma-Fe2O3 |
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_cod_database_code 1008637 |
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_database_code_amcsd 0016526 |
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8.4328 8.4328 8.4328 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ |
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Fe1 .5 .5 .5 .919 |
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Li1 .5 .5 .5 .081 |
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Fe2 0 0 0 .363 |
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Li2 0 0 0 .486 |
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Fe3 .125 .125 .125 .103 |
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O3 .2528 .2528 .2528 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Ba2 Cu Hg O4.34 |
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Pissas M, Billon B, Charalambous M, Chaussy J, LeFloch S, Bordet P, Capponi J |
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Superconductivity: Science and Technology 10 (1997) 598-604 |
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Single-crystal growth and characterization of the superconductor HgBa2CuO4+d |
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_cod_database_code 1008819 |
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_database_code_amcsd 0016688 |
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3.8816 3.8816 9.5163 90 90 90 P4/mmm |
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atom x y z occ |
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Hg1 0 0 0 |
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Cu1 0 0 .5 |
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Ba1 .5 .5 .2995 |
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O1 0 0 .214 |
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O2 .5 0 .5 |
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O3 .5 .5 0 .34 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Ba2 Cu Hg O4.27 |
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Pissas M, Billon B, Charalambous M, Chaussy J, LeFloch S, Bordet P, Capponi J |
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Superconductivity: Science and Technology 10 (1997) 598-604 |
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Single-crystal growth and characterization of the superconductor HgBa2CuO4+d |
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_cod_database_code 1008820 |
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_database_code_amcsd 0016689 |
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3.8792 3.8792 9.5117 90 90 90 P4/mmm |
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atom x y z occ |
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Hg1 0 0 0 |
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Cu1 0 0 .5 |
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Ba1 .5 .5 .2991 |
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O1 0 0 .212 |
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O2 .5 0 .5 |
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O3 .5 .5 0 .27 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Ba2 Cu Hg O4.01 |
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Pissas M, Billon B, Charalambous M, Chaussy J, LeFloch S, Bordet P, Capponi J |
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Superconductivity: Science and Technology 10 (1997) 598-604 |
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Single-crystal growth and characterization of the superconductor HgBa2CuO4+d |
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_cod_database_code 1008821 |
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_database_code_amcsd 0016690 |
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3.8776 3.8776 9.5005 90 90 90 P4/mmm |
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atom x y z occ |
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Hg1 0 0 0 |
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Cu1 0 0 .5 |
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Ba1 .5 .5 .2993 |
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O1 0 0 .211 |
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O2 .5 0 .5 |
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O3 .5 .5 0 .01 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Ba2 Cu Hg O4.27 |
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Pissas M, Billon B, Charalambous M, Chaussy J, LeFloch S, Bordet P, Capponi J |
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Superconductivity: Science and Technology 10 (1997) 598-604 |
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Single-crystal growth and characterization of the superconductor HgBa2CuO4+d |
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_cod_database_code 1008822 |
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_database_code_amcsd 0016691 |
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3.8793 3.8793 9.5050 90 90 90 P4/mmm |
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atom x y z occ |
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Hg1 0 0 0 |
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Cu1 0 0 .5 |
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Ba1 .5 .5 .2984 |
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O1 0 0 .212 |
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O2 .5 0 .5 |
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O3 .5 .5 0 .27 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Ba2 Cu Hg O4.24 |
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Pissas M, Billon B, Charalambous M, Chaussy J, LeFloch S, Bordet P, Capponi J |
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Superconductivity: Science and Technology 10 (1997) 598-604 |
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Single-crystal growth and characterization of the superconductor HgBa2CuO4+d |
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_cod_database_code 1008823 |
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_database_code_amcsd 0016692 |
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3.8751 3.8751 9.4852 90 90 90 P4/mmm |
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atom x y z occ |
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Hg1 0 0 0 |
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Cu1 0 0 .5 |
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Ba1 .5 .5 .2984 |
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O1 0 0 .207 |
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O2 .5 0 .5 |
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O3 .5 .5 0 .24 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Ba2 Cu Hg O4.31 |
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Pissas M, Billon B, Charalambous M, Chaussy J, LeFloch S, Bordet P, Capponi J |
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Superconductivity: Science and Technology 10 (1997) 598-604 |
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Single-crystal growth and characterization of the superconductor HgBa2CuO4+d |
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_cod_database_code 1008824 |
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_database_code_amcsd 0016693 |
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3.8784 3.8784 9.4903 90 90 90 P4/mmm |
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atom x y z occ |
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Hg1 0 0 0 |
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Cu1 0 0 .5 |
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Ba1 .5 .5 .2983 |
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O1 0 0 .207 |
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O2 .5 0 .5 |
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O3 .5 .5 0 .31 |
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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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| |
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