|
Ba3 Cu6 La3 O14 |
| |
Er-Rakho L, Michel C, Provost J, Raveau B |
|   |
Journal of Solid State Chemistry 37 (1981) 151-156 |
|
A Series of Oxygen-Defect Perovskites Containing Cu(II) and Cu(III): |
|
The Oxides La3-x Lnx Ba3 (Cu(II)5-2y Cu(III)1+2y) O14+y |
|
_cod_database_code 1001172 |
|
_database_code_amcsd 0013414 |
|
5.5253 5.5253 11.721 90 90 90 P4/mmm |
|
atom x y z occ |
|
La1 0 .5 .1798 .5 |
|
Ba1 0 .5 .1798 .5 |
|
La2 0 .5 .5 .5 |
|
Ba2 0 .5 .5 .5 |
|
Cu1 0 0 0 |
|
Cu2 .5 .5 0 |
|
Cu3 0 0 .348 |
|
Cu4 .5 .5 .346 |
|
O1 .25 .25 0 |
|
O2 .25 .25 .358 |
|
O3 .5 .5 .147 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba2 Ca Cu2 O7 Tl |
| |
Hervieu M, Maignan A, Martin C, Michel C, Provost J, Raveau B |
|   |
Journal of Solid State Chemistry 75 (1988) 212-215 |
|
A New Member of the Thallium Superconductive Series. The "1212" Oxide |
|
Tl Ba2 Ca Cu2 O8-y: Importance of Oxygen Content |
|
_cod_database_code 1001367 |
|
_database_code_amcsd 0013619 |
|
3.833 3.833 12.68 90 90 90 P4/mmm |
|
atom x y z occ |
|
Tl1 .5 .5 .5 |
|
Ba1 0 0 .287 |
|
Tl2 0 0 0 .1 |
|
Ca1 0 0 0 .9 |
|
Cu1 .5 .5 .130 .95 |
|
O1 0 .5 .125 |
|
O2 .5 .5 .323 |
|
O3 0 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
|
|   |
|
Ba0.92 Cu3 O8 Pb0.92 Sr1.15 Y1.15 |
| |
Rouillon T, Retoux R, Groult D, Michel C, Hervieu M, Provost J, Raveau B |
|   |
Journal of Solid State Chemistry 78 (1989) 322-325 |
|
PbBaYSrCu3O8: A New Member of the Intergrowth Family (ACuO3-x)m(A'O)n |
|
_cod_database_code 1001403 |
|
_database_code_amcsd 0013644 |
|
3.842 3.842 27.66 90 90 90 I4/mmm |
|
atom x y z occ |
|
Pb1 0 0 .290 .46 |
|
Ba1 0 0 .290 .46 |
|
Y1 0 0 .437 .575 |
|
Sr1 0 0 .437 .575 |
|
Cu1 0 0 .122 |
|
Cu2 0 0 0 |
|
O1 0 .5 0 |
|
O2 0 0 .2 |
|
O3 0 .5 .118 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cu O5 Pr0.6 Sr1.6 Tl0.8 |
| |
Bourgault D, Martin C, Michel C, Hervieu M, Provost J, Raveau B |
|   |
Journal of Solid State Chemistry 78 (1989) 326-328 |
|
Tl1-x Prx Sr2-y Pry Cu O5-delta: First Member of the Family |
|
Tl A2 Cam-1 Cum O2m+ (A= Ba, Sr) |
|
_cod_database_code 1001404 |
|
_database_code_amcsd 0013645 |
|
3.741 3.741 8.875 90 90 90 P4/mmm |
|
atom x y z occ |
|
Tl1 0 0 .5 .8 |
|
Pr1 0 0 .5 .2 |
|
Sr1 .5 .5 .205 .8 |
|
Pr2 .5 .5 .205 .2 |
|
Cu1 0 0 0 |
|
O1 0 0 .259 |
|
O2 .5 .5 .5 |
|
O3 .5 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
|
|   |
|
Bi Cu2 O8 Pb Sr2 Y |
| |
Retoux R, Caignaert V, Provost J, Michel C, Hervieu M, Raveau B |
|   |
Journal of Solid State Chemistry 79 (1989) 157-168 |
|
Superconducting properties and Structural Study of |
|
Bi2-xPbxSr2Ca1-xYxCu2O8 (0< x< 1) |
|
_cod_database_code 1001409 |
|
_database_code_amcsd 0013649 |
|
5.385 5.424 30.316 90 90 90 Fmmm |
|
atom x y z occ |
|
Bi1 0 0 .2018 .5 |
|
Pb1 0 0 .2018 .5 |
|
Sr1 0 0 .6147 |
|
Y1 0 0 .5 |
|
Cu1 0 0 .0554 |
|
O1 .25 .25 .049 |
|
O2 0 0 .686 |
|
O3 0 0 .133 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cu2 O6.6 Pb0.5 Sr2.5 Y |
| |
Rouillon T, Provost J, Hervieu M, Groult D, Michel C, Raveau B |
|   |
Journal of Solid State Chemistry 84 (1990) 375-385 |
|
The solid solution Pb0.5Sr2.5Y1-xCaxCu2O7-d: |
|
Superconductivity and structure |
|
_cod_database_code 1001442 |
|
_database_code_amcsd 0013674 |
|
3.8253 3.8253 11.891 90 90 90 P4/mmm |
|
atom x y z occ |
|
Pb1 .5 .5 .5 .5 |
|
Sr1 .5 .5 .5 .5 |
|
Sr2 0 0 .2891 |
|
Y1 0 0 0 |
|
Cu1 .5 .5 .1391 |
|
O1 0 .5 .1235 |
|
O2 .5 .5 .308 .8 |
|
O3 0 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 Ca Cu2 O8 Tl2 |
| |
Michel C, Martin C, Hervieu M, Maignan A, Provost J, Huve M, Raveau B |
|   |
Journal of Solid State Chemistry 96 (1992) 271-286 |
|
Thallium nonstoichiometry in 2212-thallium cuprate |
|
_cod_database_code 1001532 |
|
_database_code_amcsd 0013724 |
|
3.8565 3.8565 29.3122 90 90 90 I4/mmm |
|
atom x y z occ |
|
Tl1 .5 .5 .2134 .915 |
|
Ca1 .5 .5 .2134 .085 |
|
Ba1 0 0 .1216 |
|
Ca2 0 0 0 .83 |
|
Tl2 0 0 0 .17 |
|
Cu1 .5 .5 .0535 |
|
O1 0 .5 .0508 |
|
O2 .5 .5 .1428 |
|
O3 .5 .5 .2793 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba2 Ca Cu2 O8 Tl1.81 |
| |
Michel C, Martin C, Hervieu M, Maignan A, Provost J, Huve M, Raveau B |
|   |
Journal of Solid State Chemistry 96 (1992) 271-286 |
|
Thallium nonstoichiometry in 2212-thallium cuprate |
|
_cod_database_code 1001533 |
|
_database_code_amcsd 0013725 |
|
3.8489 3.8489 29.3153 90 90 90 I4/mmm |
|
atom x y z occ |
|
Tl1 .5 .5 .2132 .860 |
|
Ca1 .5 .5 .2132 .045 |
|
Ba1 0 0 .1213 |
|
Ca2 0 0 0 .91 |
|
Tl2 0 0 0 .09 |
|
Cu1 .5 .5 .0545 |
|
O1 0 .5 .0510 |
|
O2 .5 .5 .1461 |
|
O3 .5 .5 .2838 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Li Mo O8 P2 |
| |
Ledain S, Borel M, Leclaire A, Provost J, Raveau B |
|   |
Journal of Solid State Chemistry 120 (1995) 260-267 |
|
A molybdenum V diphosphate involving Li O4 tetrahedra: Li Mo O P2 O7 |
|
_cod_database_code 1001713 |
|
_database_code_amcsd 0013878 |
|
16.04599 11.951 9.937 90 104.62 90 P2_1/n |
|
atom x y z |
|
Mo1 .23712 .19528 .1878 |
|
Mo2 .57656 .21664 .1992 |
|
Mo3 .90907 .2023 .1932 |
|
P1 .1195 .2968 .3854 |
|
P2 .1595 .4500 .1895 |
|
P3 .4787 .4582 .1817 |
|
P4 .4419 .3008 .3816 |
|
P5 .3387 .0415 .7148 |
|
P6 .3767 .1741 .9715 |
|
Li1 .022 .436 .902 |
|
Li2 .212 .064 .439 |
|
Li3 .355 .443 .903 |
|
O1 .1542 .135 .079 |
|
O2 .3140 .191 .061 |
|
O3 .2846 .0538 .295 |
|
O4 .1870 .2146 .355 |
|
O5 .2051 .3546 .135 |
|
O6 .3494 .2736 .324 |
|
O7 .6643 .272 .302 |
|
O8 .6309 .1934 .0412 |
|
O9 .5002 .2141 .333 |
|
O10 .5954 .051 .268 |
|
O11 .5200 .3601 .124 |
|
O12 .4652 .1427 .054 |
|
O13 .8159 .1470 .110 |
|
O14 .9692 .1905 .038 |
|
O15 .9523 .0529 .283 |
|
O16 .8735 .2235 .377 |
|
O17 .8793 .3633 .149 |
|
O18 .0307 .2707 .301 |
|
O19 .1486 .4164 .340 |
|
O20 .0707 .4723 .097 |
|
O21 .4651 .4197 .329 |
|
O22 .3981 .490 .085 |
|
O23 .3373 .0736 .870 |
|
O24 .2504 .0120 .634 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
O9 P2 Sr V2 |
| |
Boudin S, Grandin A, Labbe P, Provost J, Raveau B |
|   |
Journal of Solid State Chemistry 127 (1996) 325-330 |
|
The V(III) monophosphate series A V2 O (P O4)2 with A = Cd, Ca, Sr: |
|
structure and magnetism |
|
_cod_database_code 1001748 |
|
_database_code_amcsd 0013913 |
|
14.220 6.5138 7.5166 90 90 90 Pnma |
|
atom x y z |
|
Sr1 .21944 .25 .1229 |
|
V1 .3821 .75 .1532 |
|
V2 0 .5 0 |
|
P1 .1892 .75 .1119 |
|
P2 .4389 .25 .1450 |
|
O1 .3744 .437 .1372 |
|
O2 .2648 .75 -.032 |
|
O3 .4864 .75 -.005 |
|
O4 .2496 .75 .281 |
|
O5 .4452 .75 .376 |
|
O6 -.0111 .25 .171 |
|
O7 .1266 .5607 .1026 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cs Mo8 O33 P4 |
| |
Hoareau T, Leclaire A, Borel M, Provost J, Raveau B |
|   |
Journal of Solid State Chemistry 128 (1997) 233-240 |
|
A mixed valent molybdenum monophosphate with an original cage structure |
|
Cs Mo6 O10 (Mo2 O7) (P O4)4 |
|
_cod_database_code 1001806 |
|
_database_code_amcsd 0013917 |
|
9.953 9.953 26.41299 90 90 90 I-42d |
|
atom x y z occ |
|
Mo1 .1809 .1847 .00729 |
|
Mo2 .4785 .504 .10915 .5 |
|
Mo3 .1412 .6237 .11410 .5 |
|
Cs1 0 .5 .09897 .5 |
|
P1 .4905 .2192 .0420 |
|
O1 .002 .1824 -.0126 |
|
O2 .169 .226 .0684 |
|
O3 .198 .374 -.0213 |
|
O4 .385 .180 .0029 |
|
O5 .215 .131 -.0754 |
|
O6 .4700 .3660 .0574 |
|
O7 .305 .545 .1101 |
|
O8 .532 .633 .1606 |
|
O9 0 .5 .09897 .5 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
K2 O15 P4 V2 |
| |
Borel M, Leclaire A, Chardon J, Provost J, Rebbah H, Raveau B |
|   |
Journal of Solid State Chemistry 132 (1997) 41-46 |
|
A V(IV) tetraphosphate with a tunnel structure K2 (V O)2 P4 O13 |
|
_cod_database_code 1001813 |
|
_database_code_amcsd 0013933 |
|
22.181 11.564 9.548 90 90 90 Pbca |
|
atom x y z |
|
V1 .0304 .1198 .2578 |
|
V2 .22498 -.0687 -.0163 |
|
P1 .0299 .3814 .1254 |
|
P2 .1131 .5596 .2191 |
|
P3 .3086 .1510 -.0201 |
|
P4 .1675 .0270 .2708 |
|
K1 -.0619 .1544 -.0661 |
|
K2 .1351 .1998 -.0365 |
|
O1 .0361 .0856 .0959 |
|
O2 .0204 -.0394 .3326 |
|
O3 .1190 .1151 .2973 |
|
O4 .0416 .2917 .2393 |
|
O5 -.0608 .1418 .2559 |
|
O6 .0239 .1714 .4821 |
|
O7 .2759 .8834 .0824 |
|
O8 .2712 -.0729 .8050 |
|
O9 .1626 -.0253 .1262 |
|
O10 .1839 .7760 -.0516 |
|
O11 .2459 .1038 -.0141 |
|
O12 .1446 -.0163 .8443 |
|
O13 .0915 .4573 .1211 |
|
O14 .3410 .1299 .1257 |
|
O15 .3470 .0796 .8751 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Li3 Mo3 O17 P3 |
| |
Ledain S, Leclaire A, Borel M, Provost J, Raveau B |
|   |
Journal of Solid State Chemistry 133 (1997) 391-399 |
|
A mixed valent molybdenum monophosphate with a bidimensional connection |
|
of Mo O6 octahedra : Li3 Mo3 O5 (P O4)3 |
|
_cod_database_code 1001815 |
|
_database_code_amcsd 0013940 |
|
11.946 12.716 8.274 90.26 96.87 89.67 P-1 |
|
atom x y z |
|
Mo1 .01512 .11443 .2432 |
|
Mo2 .98654 .61433 .2598 |
|
Mo3 .47862 .61937 .1838 |
|
Mo4 .60568 .87233 .1510 |
|
Mo5 .39953 .37028 .34479 |
|
Mo6 .52314 .11880 .3206 |
|
P1 .7322 .4038 .5956 |
|
P2 -.0546 .3621 .1420 |
|
P3 .0546 .8614 .3582 |
|
P4 .2716 .1558 .4417 |
|
P5 .2725 .3515 -.0582 |
|
P6 .7357 .0940 .1005 |
|
O1 .0742 .0924 .074 |
|
O2 -.0649 .1536 .4557 |
|
O3 .8568 .1346 .1374 |
|
O4 .1586 .1050 .3959 |
|
O5 .0250 .2747 .2306 |
|
O6 -.0144 -.0365 .3029 |
|
O7 -.0737 .5935 .4302 |
|
O8 .0660 .6535 .0438 |
|
O9 .0173 .4632 .1981 |
|
O10 .1447 .6314 .3650 |
|
O11 -.0255 .7748 .2707 |
|
O12 .8452 .6050 .1058 |
|
O13 .4232 .6050 -.011 |
|
O14 .5459 .6367 .4559 |
|
O15 .3295 .6463 .2668 |
|
O16 .6456 .5912 .1635 |
|
O17 .4786 .4788 .2753 |
|
O18 .5173 .7611 .1917 |
|
O19 .5498 .8937 -.046 |
|
O20 .6986 .8450 .3775 |
|
O21 .5387 .9764 .2628 |
|
O22 .7375 .9742 .1279 |
|
O23 .7271 .7675 .0873 |
|
O24 .3049 .3778 .116 |
|
O25 .2686 .2707 .3784 |
|
O26 .4751 .2615 .2708 |
|
O27 .2739 .4752 .3916 |
|
O28 .5806 .1251 .516 |
|
O29 .3589 .0893 .3565 |
|
O30 .6692 .1488 .2291 |
|
O31 .6862 .3640 .4304 |
|
O32 .8320 .3620 .200 |
|
O33 .1680 .8599 .298 |
|
O34 .6899 .1249 -.0699 |
|
Li1 .142 .377 .343 |
|
Li2 .860 .872 .155 |
|
Li3 .795 .254 .355 |
|
Li4 .692 .434 .229 |
|
Li5 .303 -.065 .278 |
|
Li6 .206 .754 .145 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Li Mo3 O16 P3 |
| |
Hoareau T, Borel M, Leclaire A, Provost J, Raveau B |
|   |
Materials Research Bulletin 30 (1995) 523-529 |
|
Structure and antiferromagnetic properties of a mixed valent molybdeno |
|
monophosphate of lithium |
|
_cod_database_code 1001635 |
|
_database_code_amcsd 0014371 |
|
6.374 7.709 12.529 80.03 77.62 81.80 P-1 |
|
atom x y z |
|
Mo1 .20441 .21091 .53075 |
|
Mo2 .40945 .74102 .16096 |
|
Mo3 .03722 .19637 .15127 |
|
Li1 .586 .327 .328 |
|
P1 .55902 .15595 .11041 |
|
P2 .31114 .84135 .42733 |
|
P3 .05684 .48506 .31352 |
|
O1 .1981 .0453 .6355 |
|
O2 -.0987 .2284 .5128 |
|
O3 .5244 .2478 .5 |
|
O4 .2952 .0431 .4150 |
|
O5 .1342 .4158 .6163 |
|
O6 .2327 .3988 .3781 |
|
O7 .0623 .2886 .0190 |
|
O8 -.0490 .3437 .2734 |
|
O9 .7154 .1913 .1819 |
|
O10 .1191 -.0255 .1513 |
|
O11 .3347 .2344 .1655 |
|
O12 .6072 .5774 .1661 |
|
O13 .3728 .7471 .0057 |
|
O14 .1532 .6077 .2097 |
|
O15 .3816 .7895 .3130 |
|
O16 .5671 .9580 .1095 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ca0.91 Cu2 O7 Pb0.5 Sr2 Tl0.59 |
| |
Martin C, Provost J, Bourgault D, Domenges B, Michel C, Hervieu M, Raveau B |
|   |
Physica C 157 (1989) 460-468 |
|
Structural peculiarities of the "1212" superconductor Tl.5Pb.5Sr2CaCu2O5 |
|
_cod_database_code 1001411 |
|
_database_code_amcsd 0015013 |
|
3.795 3.795 12.094 90 90 90 P4/mmm |
|
atom x y z occ |
|
Tl1 .5 .5 .5 .48 |
|
Pb1 .5 .5 .5 .5 |
|
Ca1 .5 .5 .5 .02 |
|
Sr1 0 0 .2808 |
|
Ca2 0 0 0 .89 |
|
Tl2 0 0 0 .11 |
|
Cu1 .5 .5 .135 |
|
O1 0 .5 .135 |
|
O2 .5 .5 .305 |
|
O3 .08 .08 .5 .25 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ca0.5 Cu2 O6.3 Pb0.46 Sr2.46 Y0.5 |
| |
Rouillon T, Provost J, Hervieu M, Groult D, Michel C, Raveau B |
|   |
Physica C 159 (1989) 201-209 |
|
Superconductivity up to 100 K in lead cuprates: A new superconductor |
|
Pb.5 Sr2.5 Y.5 Ca.5 Cu2 O7-delta |
|
_cod_database_code 1001412 |
|
_database_code_amcsd 0015015 |
|
3.817 3.817 11.907 90 90 90 P4/mmm |
|
atom x y z occ |
|
Pb1 .5 .5 .5 .46 |
|
Sr1 .5 .5 .5 .46 |
|
Sr2 0 0 .2890 |
|
Y1 0 0 0 .5 |
|
Ca1 0 0 0 .5 |
|
Cu1 .5 .5 .1362 |
|
O1 0 .5 .127 |
|
O2 .5 .5 .318 .65 |
|
O3 0 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
|
|   |
|
Cu La O5 Sr Tl |
| |
Huve M, Michel C, Martin C, Hervieu M, Maignan A, Provost J, Raveau B |
|   |
Physica C 179 (1991) 214-226 |
|
The "1201"-phase of the "Tl-Sr-La-Cu-O" system. Homogeneity range, |
|
structure and superconductivity |
|
_cod_database_code 1001487 |
|
_database_code_amcsd 0015026 |
|
3.7796 3.7796 8.8466 90 90 90 P4/mmm |
|
atom x y z occ |
|
Tl1 0 0 .5 |
|
Sr1 .5 .5 .2058 .5 |
|
La1 .5 .5 .2058 .5 |
|
Cu1 0 0 0 |
|
O1 0 0 .263 |
|
O2 .5 .5 .5 |
|
O3 .5 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
|
|   |
|
Cu La0.6 O5 Sr1.4 Tl |
| |
Huve M, Michel C, Martin C, Hervieu M, Maignan A, Provost J, Raveau B |
|   |
Physica C 179 (1991) 214-226 |
|
The "1201"-phase of the "Tl-Sr-La-Cu-O" system. Homogeneity range, |
|
structure and superconductivity |
|
_cod_database_code 1001488 |
|
_database_code_amcsd 0015027 |
|
3.7535 3.7535 8.9038 90 90 90 P4/mmm |
|
atom x y z occ |
|
Tl1 0 0 .5 |
|
Sr1 .5 .5 .2061 .7 |
|
La1 .5 .5 .2061 .3 |
|
Cu1 0 0 0 |
|
O1 0 0 .259 |
|
O2 .5 .5 .5 |
|
O3 .5 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
|
|   |
|
Cu La0.7 O5 Sr Tl1.3 |
| |
Huve M, Michel C, Martin C, Hervieu M, Maignan A, Provost J, Raveau B |
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Physica C 179 (1991) 214-226 |
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The "1201"-phase of the "Tl-Sr-La-Cu-O" system. Homogeneity range, |
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structure and superconductivity |
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_cod_database_code 1001489 |
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_database_code_amcsd 0015028 |
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3.7713 3.7713 8.8676 90 90 90 P4/mmm |
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atom x y z occ |
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Tl1 0 0 .5 |
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Sr1 .5 .5 .2044 .5 |
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La1 .5 .5 .2044 .35 |
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Tl2 .5 .5 .2044 .15 |
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Cu1 0 0 0 |
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O1 0 0 .281 |
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O2 .5 .5 .5 |
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O3 .5 0 0 |
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