|
O52 P8 W12 |
| |
Domenges B, Goreaud M, Labbe P, Raveau B |
 |
Acta Crystallographica B38 (1982) 1724-1728 |
|
P8 W12 O52: A Mixed-Valence Tungsten Oxide Built up from W O6 |
|
Octahedra and P2 O7 Groups |
|
_cod_database_code 1001158 |
|
_database_code_amcsd 0009766 |
|
11.9866 15.5500 5.3197 90 90 90 Pnam |
|
atom x y z |
|
P1 .1997 .4382 .25 |
|
P2 .0176 .6532 .75 |
|
W1 .86810 .10185 .75 |
|
W2 .08270 .13543 .25 |
|
W3 .29710 .16244 .75 |
|
O1 .3775 .5180 .75 |
|
O2 .2169 .5334 .25 |
|
O3 .0695 .4230 .25 |
|
O4 .2456 .3984 .4849 |
|
O5 .4735 .3831 .5024 |
|
O6 .0842 .6387 .5107 |
|
O7 .3068 .6647 .4976 |
|
O8 .3355 .2735 .75 |
|
O9 .0444 .2611 .25 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
P4W24O80 |
| |
Roussel P, Mather G, Domenges B, Groult D, Labbe P |
|
Acta Crystallographica B54 (1998) 365-375 |
|
Structural investigation of P4W24O80: A new monophosphate tungsten bronze |
|
_cod_database_code 1001821 |
|
_database_code_amcsd 0009905 |
|
5.312 6.5557 42.196 90 90 90 P2_12_12_1 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
W1 .2431 .4272 .69885 .0084 .0081 .005773 .0055 -.0043 -.00256 |
|
W2 .251 .0996 .62523 .0092 .0075 .007036 .0045 -.0056 -.00156 |
|
W3 .2526 .7578 .55324 .0110 .0099 .008389 -.002 .0042 -.00233 |
|
W4 .2622 .4137 .48215 .0051 .0115 .008840 .0011 -.00503 -.00196 |
|
W5 .7626 .4299 .58941 .0099 .0088 .007397 -.0026 .00597 -.00101 |
|
W6 .7592 .7693 .66258 .0093 .0066 .006494 -.0027 .0019 -.00130 |
|
P1 .762 .1144 .7243 |
|
O1 .73 .058 .7590 |
|
O2 .547 .263 .7170 |
|
O3 .025 .211 .7193 |
|
O4 -.022 .566 .6888 |
|
O5 .477 .609 .6837 |
|
O6 .26 .258 .6649 |
|
O7 .537 .946 .6466 |
|
O8 .038 .902 .6487 |
|
O9 .469 .269 .6064 |
|
O10 -.036 .244 .6166 |
|
O11 .269 -.066 .5920 |
|
O12 .547 .626 .5735 |
|
O13 .043 .564 .5744 |
|
O14 .475 .935 .5321 |
|
O15 -.037 .898 .5412 |
|
O16 .233 .591 .5181 |
|
O17 .542 .281 .4988 |
|
O18 .772 .256 .5556 |
|
O19 .778 .582 .6302 |
|
O20 .726 -.086 .7044 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Co O3.111 Sr0.9999 Tl0.41 |
| |
Boullay P, Domenges B, Hervieu M, Groult D, Raveau B |
| |
Chemistry of Materials 8 (1996) 1482-1489 |
|
Evidence for the first misfit layer oxide Tl0.41 (Sr0.9 O)1.12 Co O2 |
|
_cod_database_code 1001719 |
|
_database_code_amcsd 0012211 |
|
4.95 25.18999 11.66 90 97.76 90 Cm |
|
atom x y z occ |
|
Sr1 .025 0 .89 .9 |
|
Sr2 .025 .2 .89 .9 |
|
Sr3 .025 .4 .89 .9 |
|
Sr4 .025 .5 .11 .9 |
|
Sr5 .025 .7 .11 .9 |
|
Sr6 .025 .9 .11 .9 |
|
Co1 0 0 .5 |
|
Co2 0 .111 .5 |
|
Co3 0 .222 .5 |
|
Co4 0 .333 .5 |
|
Co5 0 .444 .5 |
|
Tl1 .4 0 .71 .615 |
|
Tl2 .4 .222 .71 .615 |
|
Tl3 .45 .5 .28 .615 |
|
Tl4 .45 .7225 .28 .615 |
|
O1 .02 0 .11 |
|
O2 .02 .2 .11 |
|
O3 .02 .4 .11 |
|
O4 .02 .5 .89 |
|
O5 .02 .7 .89 |
|
O6 .02 .9 .89 |
|
O7 .3 0 .4 |
|
O8 .3 .111 .4 |
|
O9 .3 .222 .4 |
|
O10 .3 .333 .4 |
|
O11 .3 .444 .4 |
|
O12 .2 .0555 .6 |
|
O13 .2 .1665 .6 |
|
O14 .2 .2775 .6 |
|
O15 .2 .3885 .6 |
|
O16 .2 .5 .6 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Ce0.5 Cu2 Nd1.5 O9 Pb0.5 Sr2.5 |
| |
Gambardella M, Domenges B, Rouillon T, Hervieu M, Raveau B |
| |
European Journal of Solid State and Inorganic Chemistry 39 (1992) 333-345 |
|
Introduction of fluorite layers in the 1212-type structure: the oxide |
|
(Pb.5Sr.5)Sr2Nd2-xCexCu2O9-d |
|
_cod_database_code 1001531 |
|
_database_code_amcsd 0012629 |
|
3.8783 3.8783 29.495 90 90 90 I4/mmm |
|
atom x y z occ |
|
Pb1 0 0 0 .5 |
|
Sr1 0 0 0 .5 |
|
Sr2 .5 .5 .0864 |
|
Cu1 0 0 .1476 |
|
Nd1 .5 .5 .2063 .75 |
|
Ce1 .5 .5 .2063 .25 |
|
O1 .5 .5 0 |
|
O2 0 0 .07 |
|
O3 .5 0 .25 |
|
O4 .5 0 .149 |
|
|
| Download AMC data (View Text File)
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|
| |
|
K1.4 O50 P4 W14 |
| |
Domenges B, Goreaud M, Labbe P, Raveau B |
| |
Journal of Solid State Chemistry 50 (1983) 173-179 |
|
K1.4 P4 W14 O50: An Odd-m Member (m=7) of the Monophosphate |
|
Tungsten Bronze Series Kx P4 O8 (W O3)2m |
|
_cod_database_code 1001252 |
|
_database_code_amcsd 0013514 |
|
6.660 5.3483 27.06 90 97.20 90 A2/m |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K1 .363 0 .2498 .35 |
|
P1 .1970 .5 .2928 |
|
W1 0 0 0 .0039 .0030 .0050 0 -.0012 0 |
|
W2 .70062 .5 .05464 .0038 .0029 .0043 0 -.00128 0 |
|
W3 .40226 0 .11184 .0036 .0027 .0037 0 -.00119 0 |
|
W4 .09390 .5 .16777 .0041 .0027 .0032 0 -.00137 0 |
|
O1 .5 .5 0 |
|
O2 .846 .249 .0278 |
|
O3 .197 0 .0602 |
|
O4 .546 .253 .0885 |
|
O5 .906 .5 .1137 |
|
O6 .25 .253 .1488 |
|
O7 .592 0 .1767 |
|
O8 .920 .238 .1977 |
|
O9 .237 .5 .2383 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ba Fe0.233 Mn0.767 O2.87 |
| |
Caignaert V, Hervieu M, Domenges B, Nguyen N, Pannetier J, Raveau B |
| |
Journal of Solid State Chemistry 73 (1988) 107-117 |
|
BaMn1-xFexO3-d, and Oxygen-Deficient 6H' Oxide Electron |
|
Microscopy, Powder Neutron Diffraction, and Mossbauer Study |
|
_cod_database_code 1001348 |
|
_database_code_amcsd 0013610 |
|
5.687 5.687 14.167 90 90 120 P-6m2 |
|
atom x y z occ |
|
Ba1 0 0 0 |
|
Ba2 1/3 2/3 .5 |
|
Ba3 1/3 2/3 .178 |
|
Ba4 2/3 1/3 .342 |
|
Mn1 0 0 .243 .87 |
|
Fe1 0 0 .243 .13 |
|
Mn2 0 0 .417 .98 |
|
Fe2 0 0 .417 .02 |
|
Mn3 2/3 1/3 .113 .46 |
|
Fe3 2/3 1/3 .113 .54 |
|
O1 .848 .696 .5 |
|
O2 .523 .046 0 .74 |
|
O3 .836 .672 .166 |
|
O4 .152 .304 .329 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ce Cu3 O10 Pb2 Pr Sr2 |
| |
Rouillon T, Hervieu M, Domenges B, Raveau B |
| |
Journal of Solid State Chemistry 103 (1993) 63-74 |
|
Structural study of the oxide Pb2Sr2PrCeCu3O10, intergrowth of |
|
0201- and 0222-type structures |
|
_cod_database_code 1001527 |
|
_database_code_amcsd 0013764 |
|
5.4522 5.4807 37.012 90 90 90 Fmmm |
|
atom x y z occ |
|
Cu1 0 0 0 |
|
Pb1 .5 0 .0474 |
|
Sr1 0 0 .1186 |
|
Cu2 .5 0 .1666 |
|
Pr1 0 0 .2148 .5 |
|
Ce1 0 0 .2148 .5 |
|
O1 .045 .077 .0462 .25 |
|
O2 .5 0 .1054 |
|
O3 .25 .25 .1709 |
|
O4 .25 .25 .25 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ce Cu3.01 O10.056 Pb2.02 Pr Sr2.02 |
| |
Rouillon T, Hervieu M, Domenges B, Raveau B |
| |
Journal of Solid State Chemistry 103 (1993) 63-74 |
|
Structural study of the oxide Pb2Sr2PrCeCu3O10, intergrowth of |
|
0201- and 0222-type structures |
|
_cod_database_code 1001528 |
|
_database_code_amcsd 0013765 |
|
5.4512 5.4799 37.0107 90 90 90 Fmmm |
|
atom x y z occ |
|
Cu1 0 0 0 1.01 |
|
Pb1 .5 0 .0475 1.01 |
|
Sr1 0 0 .1184 1.01 |
|
Cu2 .5 0 .1665 |
|
Pr1 0 0 .2146 .50 |
|
Ce1 0 0 .2146 .50 |
|
O1 .25 .25 0 .02 |
|
O2 .0608 .0693 .0491 .252 |
|
O3 .5 0 .1050 |
|
O4 .25 .25 .1717 |
|
O5 .25 .25 .25 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Nd2Ba4Cu2O9 |
| |
Domenges B, Abbattista F, Michel C, Vallino M, Barbey L, Nguyen N, Raveau B |
| |
Journal of Solid State Chemistry 106 (1993) 271-281 |
|
A one-dimensional cuprate closely related to the "0212"-structure: Nd2Ba4Cu2O9 |
|
_cod_database_code 1001569 |
|
_database_code_amcsd 0013784 |
|
12.0717 12.0717 3.8737 90 90 90 P-4n2 |
|
atom x y z |
|
Ba1 .1132 .1761 .75 |
|
Nd1 .3879 .1121 .25 |
|
Cu1 .1005 .3995 .25 |
|
O1 .404 .904 .25 |
|
O2 0 0 .5 |
|
O3 .245 .255 .25 |
|
O4 -.026 .300 .25 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ba4 Ca0.7 Cu5 O14 Y1.3 |
| |
Domenges B, Boullay P, Hervieu M, Raveau B |
| |
Journal of Solid State Chemistry 108 (1994) 219-229 |
|
The substitution of CO3 groups for copper in Y1-xCaxBa2Cu3O7: HREM study |
|
_cod_database_code 1001615 |
|
_database_code_amcsd 0013793 |
|
7.7704 3.8876 22.98119 90 90 90 Bm2m |
|
atom x y z occ |
|
Y1 .25 .5 .75 .65 |
|
Ca1 .25 .5 .75 .35 |
|
Ba1 .2414 .5 .9066 |
|
C1 .5 0 0 |
|
Cu1 0 0 0 |
|
Cu2 .5 0 .8190 |
|
Cu3 0 0 .8190 |
|
O1 0 0 .915 |
|
O2 .44 0 .944 .5 |
|
O3 .25 0 .815 |
|
O4 0 .5 .811 |
|
O5 .5 .5 .811 |
|
O6 0 .5 0 |
|
O7 .67 0 0 .5 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ba2.5 Co2 Cu3 Eu2.5 O12 |
| |
Barbey L, Domenges B, Nguyen N, Raveau B |
| |
Journal of Solid State Chemistry 111 (1994) 238-246 |
|
Eu2.5Ba2.5Co2Cu3O12, an intergrowth of the "112" and "123" structures |
|
_cod_database_code 1001601 |
|
_database_code_amcsd 0013812 |
|
3.8935 3.8935 19.08499 90 90 90 P4/mmm |
|
atom x y z occ |
|
Eu1 .5 .5 .1996 |
|
Ba1 .5 .5 0 |
|
Eu2 .5 .5 .3892 .25 |
|
Ba2 .5 .5 .3892 .75 |
|
Cu1 0 0 .5 .333 |
|
Co1 0 0 .5 .667 |
|
Cu2 0 0 .2934 |
|
Cu3 0 0 .1077 .333 |
|
Co2 0 0 .1077 .667 |
|
O1 0 0 0 |
|
O2 .5 0 .122 |
|
O3 .5 0 .277 |
|
O4 0 0 .407 |
|
O5 .5 0 .5 .5 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Mn4 O13 Sr5 |
| |
Caignaert V, Domenges B, Raveau B |
| |
Journal of Solid State Chemistry 120 (1995) 279-289 |
|
Synthesis and structure of a new oxycarbonate, Sr5 Mn4 C O3 O10, |
|
closely related to the perovskite structure |
|
_cod_database_code 1001714 |
|
_database_code_amcsd 0013879 |
|
8.7949 8.7949 3.7848 90 90 90 P4/m |
|
atom x y z occ |
|
Sr1 0 0 0 |
|
Sr2 .1783 .3886 0 |
|
Mn1 .3009 .0983 .5 |
|
O1 .3156 .1284 0 |
|
O2 .5 0 .5 |
|
O3 .1078 .2032 .5 |
|
C1 .5 .5 .5 |
|
O4 .430 .390 .5 .75 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Fe2 Hg0.3 O9 Pr0.57 Sr4 |
| |
Boullay P, Domenges B, Groult D, Raveau B |
| |
Journal of Solid State Chemistry 124 (1996) 1-7 |
|
A mercury-based ferrite with a 0201-1201 structure: (Hg, Pr) Sr4 Fe2 O9 |
|
_cod_database_code 1001740 |
|
_database_code_amcsd 0013892 |
|
3.8174 3.8138 30.33899 90 90 90 Immm |
|
atom x y z occ |
|
Hg1 0 0 0 .30 |
|
Pr1 0 0 0 .57 |
|
Sr1 .5 .5 .0839 |
|
Sr2 .5 .5 .2054 |
|
Fe1 0 0 .1476 |
|
O1 .19 0 .5 .5 |
|
O2 0 0 .071 |
|
O3 .5 0 .1412 |
|
O4 0 .5 .1412 |
|
O5 0 0 .214 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Bi2Sr2CaCu2O8 |
| |
Hervieu M, Michel C, Domenges B, Laligant Y, Lebail A, Ferey G, Raveau B |
| |
Modern Physics Letters B2 (1988) 491-500 |
|
Electron microscopy study of the superconductor "Bi2Sr2CaCu2O8" |
|
_cod_database_code 1000285 |
|
_database_code_amcsd 0014652 |
|
5.4054 5.4016 30.7152 90 90 90 Amaa |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Bi1 .052 .2745 .0524 .5 .054 .008 .033 0 0 0 |
|
Sr1 0 .75 .3597 .095 .01 .068 0 0 0 |
|
Cu1 .5 .75 .3033 0 0 .096 0 0 0 |
|
Ca1 .5 .25 .25 .099 .03 .158 0 0 0 |
|
O1 .75 0 .201 |
|
O2 .25 .5 .201 |
|
O3 0 .25 .385 |
|
O4 .5 .27 .0524 |
|
|
| Download AMC data (View Text File)
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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)
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View JMOL 3-D Structure
|
| |
|
Cu11 O28 Sr8 Y4 |
| |
Domenges B, Hervieu M, Raveau B |
| |
Physica C 207 (1993) 65-78 |
|
Ordered substitution of "CO3" groups for CuO4 square groups in the |
|
"123" structure. The oxycarbonate Y4Sr8Cu11CO3O25, n=4 member |
|
of the series YnSr2nCu3n-1CO3O7n-3 |
|
_cod_database_code 1001582 |
|
_database_code_amcsd 0015043 |
|
15.311 3.851 22.371 90 90 90 Bm2m |
|
atom x y z occ |
|
Y1 .125 .5 .74 |
|
Sr1 .125 .5 -.0935 |
|
Sr2 .3572 .5 -.0935 |
|
Cu1 0 0 .819 |
|
Cu2 .25 0 .819 |
|
Cu3 .5 0 .8265 |
|
Cu4 0 0 0 |
|
Cu5 .25 0 0 |
|
C1 .5 0 0 |
|
O1 .125 0 .8075 |
|
O2 .375 0 .827 |
|
O3 0 .5 .8115 |
|
O4 .25 .5 .8115 |
|
O5 .5 .5 .828 |
|
O6 0 0 -.0825 |
|
O7 .25 0 -.0825 |
|
O8 .5858 0 0 .5 |
|
O9 .5435 0 -.05 .5 |
|
O10 0 .5 0 |
|
O11 .25 .5 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ba1.5 Cu3 La1.5 O7.02 |
| |
Domenges B, Hervieu M, Michel C, Maignan A, Raveau B |
| |
Physica Status Solidi, Sectio A: Applied Research 107 (1988) 73-84 |
|
La3 Ba3 Cu6 O14+x: A Single Phase Or A Mixture? |
|
_cod_database_code 1001376 |
|
_database_code_amcsd 0015112 |
|
3.9098 3.9098 11.7058 90 90 90 P4/mmm |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
La1 .5 .5 .5 .15 .15 1.11 0 0 0 |
|
La2 .5 .5 .1816 .25 .76 .76 2.36 0 0 0 |
|
Ba1 .5 .5 .1816 .75 .76 .76 2.36 0 0 0 |
|
Cu1 0 0 0 2.85 2.85 .26 0 0 0 |
|
Cu2 0 0 .3452 .38 .38 .28 0 0 0 |
|
O1 0 0 .1577 .94 3.45 3.45 .0 0 0 0 |
|
O2 0 .5 .3638 .64 .65 1.26 0 0 0 |
|
O3 0 .5 0 .57 11.56 3.71 1.30 0 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ba2 Cu3 O6 Y |
| |
Roth G, Renker B, Heger G, Hervieu M, Domenges B, Raveau B |
| |
Zeitschrift fur Physik, B 69 (1987) 53-59 |
|
On the structure of non-superconducting YBa2Cu3O(6+ $-epsilon) |
|
_cod_database_code 1001421 |
|
_database_code_amcsd 0015852 |
|
3.865 3.865 11.852 90 90 90 P4/mmm |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Y1 .5 .5 .5 .0053 .0053 .0086 0 0 0 |
|
Ba1 .5 .5 .1951 .0085 .0085 .0100 0 0 0 |
|
Cu1 0 0 0 .0139 .0139 .0113 0 0 0 |
|
Cu2 0 0 .3609 .0043 .0043 .0122 0 0 0 |
|
O1 .5 0 .3793 .0040 .0078 .0140 0 0 0 |
|
O2 0 0 .1521 .0166 .0166 .0136 0 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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