American Mineralogist Crystal Structure Database

164 matching records for this search.

La0.988 Mo8.024 O14
 
Leligny H, Labbe P, Ledesert M, Hervieu M, Raveau B, McCarroll W
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=49&spage=444
Acta Crystallographica B49 (1993) 444-454
The modulated structure of LaMo8O14
_cod_database_code 1001543
_database_code_amcsd 0009872
11.129 10.000 9.218 90 90 90 C2cb
atom      x      y     z   occ
La1   .0198      0     0 .8425
La2  -.0216      0     0 .1450
Mo1   .8769  .0778 .3795
Mo2   .1218  .0828 .3768
Mo3       0  .8402 .3796
Mo4   .2307  .8371 .3759 .7876
Mo5   .7741  .8392 .3835 .2244
O1    .2623      0    .5
O2   -.0032  .8410 .7638
O3    .8730 -.0786 .2432
O4    .1158 -.0761 .2353
O5    .7443  .1718 .2567
O6    .1149  .2609 .4893
O7    .8736  .2507 .4906
O8    .7452      0    .5
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Ba0.85Ca2.15In6O12
 
Baldinozzi G, Goutenoire F, Hervieu M, Suard E, Grebille D
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=52&spage=780
Acta Crystallographica B52 (1996) 780-789
Incommensurate modulated disorder in Ba0.85Ca2.15In6O12
_cod_database_code 1000428
_database_code_amcsd 0009895
9.8880 9.8880 3.2170 90 90 120 P6_3/m
atom     x      y    z  occ
Ba1      0      0 .160 .215
Ca1    1/3    2/3  .25
In1  .3472 -.0044  .25
O1   .1935  .3048  .25
O2   .5316  .3985  .25
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Ba0.85Ca2.15In6O12
 
Baldinozzi G, Goutenoire F, Hervieu M, Suard E, Grebille D
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=52&spage=780
Acta Crystallographica B52 (1996) 780-789
Incommensurate modulated disorder in Ba0.85Ca2.15In6O12
_cod_database_code 1000429
_database_code_amcsd 0009896
9.8880 9.8880 3.2170 90 90 120 P3
atom     x      y     z occ
Ba1      0      0  .705 .35
Ba2      0      0  .222 .17
Ba3      0      0 -.064 .31
Ca1      0      0 -.064 .10
Ca2    1/3    2/3  .267
Ca3    2/3    1/3  .745
In1  .3492 -.0005   .25
In2  .6545  .0068  .747
O1   .1910  .3040   .25
O2   .8052  .6976  .759
O3   .5293  .3970  .248
O4   .4669  .6003  .754
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O4 Sr Tl2
 
Michel C, Hervieu M, Caignaert V, Raveau B
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=48&spage=1747
Acta Crystallographica C48 (1992) 1747-1749
Structure Refinement of the semi-Metallic Oxide SrTl2O4: a Neutron
Diffraction Study
_cod_database_code 1001537
_database_code_amcsd 0010276
10.0451 11.6905 3.40860 90 90 90 Pnam
atom     x     y   z
Tl1  .4225 .6090 .25
Tl2  .4212 .1093 .25
Sr1  .7534 .6504 .25
O1   .2110 .1772 .25
O2   .1256 .4777 .25
O3   .5188 .7790 .25
O4   .4136 .4254 .25
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Nb O9 Rb Ti3
 
Hervieu M, Desgardin G, Raveau B
 
Annales de Chimie 1979 (1979) 339-346
Titanoniobates et Titanotantalates avec une structure a tunnels: les
oxydes A Ti3 M O9 et (A2 Ti6 O13)n * A Ti3 M O9
_cod_database_code 1001201
_database_code_amcsd 0012019
6.407 3.797 14.918 90 90 90 *Pnmm
0 .25 .25
atom     x   y     z occ
Rb1  .2129 .75   .25
Ti1  .3115 .25 .0442 .75
Ti2  .7543 .25 .1273 .75
Nb1  .3115 .25 .0442 .25
Nb2  .7543 .25 .1273 .25
O1   .6608 .25 .5218
O2   .2231 .25 .5996
O3   .4308 .25   .15
O4   .0295 .25 .0836
O5    .834 .25   .25
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Ca0.5 Fe1.5 Li0.5 O4 Sn0.5
 
Archaimbault F, Choisnet J, Hervieu M, Raveau B
 
Annales de Chimie (Paris) (Vol=Year) 12 (1987) 23-32
De Nouveaux Ferrites de Calcium Substitues, Isotypes De Ca Fe2 O4:
Les Oxydes Ca1-x Lix (Fe2-x Sn x) O4 (0 < x <=0.60)
_cod_database_code 1001437
_database_code_amcsd 0012023
9.285 10.869 3.020 90 90 90 Pnam
atom     x     y   z occ
Ca1   .774  .667 .25  .5
Li1   .774  .667 .25  .5
Fe1  .4363 .6085 .25 .75
Sn1  .4363 .6085 .25 .25
Fe2  .4105 .1051 .25 .75
Sn2  .4105 .1051 .25 .25
O1    .214  .167 .25
O2    .129  .458 .25
O3    .514  .785 .25
O4    .419  .425 .25
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H3 O7 Ta W
 
Hervieu M, Michel C, Raveau B
 
Bulletin de la Societe Chimique de France 1971 (1971) 3939-3943
Proprietes d'echanges d'ions de quelques oxydes ternaires de type
pyrochlore: les pyrochlores H1+x(H2O)Ta1+xW1-xO6 et NH4TaWO6
_cod_database_code 1001163
_database_code_amcsd 0012101
10.39 10.39 10.39 90 90 90 *Fd3m
.125 .125 .125
atom    x    y    z occ
Ta1    .5   .5   .5  .5
W1     .5   .5   .5  .5
O1    .44 .125 .125
O2   .125 .125 .125
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H3.4 O7 Ta1.4 W0.6
 
Hervieu M, Michel C, Raveau B
 
Bulletin de la Societe Chimique de France 1971 (1971) 3939-3943
Proprietes d'echanges d'ions de quelques oxydes ternaires de type
pyrochlore: les pyrochlores H1+x(H2O)Ta1+xW1-xO6 et NH4TaWO6
_cod_database_code 1001164
_database_code_amcsd 0012102
10.485 10.485 10.485 90 90 90 *Fd3m
.125 .125 .125
atom    x    y    z occ
Ta1    .5   .5   .5  .7
W1     .5   .5   .5  .3
O1   .445 .125 .125
O2   .125 .125 .125
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H3.8 O7 Ta1.8 W0.2
 
Hervieu M, Michel C, Raveau B
 
Bulletin de la Societe Chimique de France 1971 (1971) 3939-3943
Proprietes d'echanges d'ions de quelques oxydes ternaires de type
pyrochlore: les pyrochlores H1+x(H2O)Ta1+xW1-xO6 et NH4TaWO6
_cod_database_code 1001165
_database_code_amcsd 0012103
10.55 10.55 10.55 90 90 90 *Fd3m
.125 .125 .125
atom    x    y    z occ
Ta1    .5   .5   .5  .9
W1     .5   .5   .5  .1
O1   .435 .125 .125
O2   .125 .125 .125
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H4 O7 Ta2
 
Hervieu M, Michel C, Raveau B
 
Bulletin de la Societe Chimique de France 1971 (1971) 3939-3943
Proprietes d'echanges d'ions de quelques oxydes ternaires de type
pyrochlore: les pyrochlores H1+x(H2O)Ta1+xW1-xO6 et NH4TaWO6
_cod_database_code 1001166
_database_code_amcsd 0012104
10.58 10.58 10.58 90 90 90 *Fd3m
.125 .125 .125
atom    x    y    z
Ta1    .5   .5   .5
O1   .435 .125 .125
O2   .125 .125 .125
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H4 N O6 Ta W
 
Hervieu M, Michel C, Raveau B
 
Bulletin de la Societe Chimique de France 1971 (1971) 3939-3943
Proprietes d'echanges d'ions de quelques oxydes ternaires de type
pyrochlore: les pyrochlores H1+x(H2O)Ta1+xW1-xO6 et NH4TaWO6
_cod_database_code 1001167
_database_code_amcsd 0012105
10.358 10.358 10.358 90 90 90 *Fd3m
.125 .125 .125
atom    x    y    z occ
Ta1    .5   .5   .5  .5
W1     .5   .5   .5  .5
N1   .125 .125 .125
O1    .43 .125 .125
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Nb1.34 O6.67 Pb2 Ti0.66
 
Bachelier J, Hervieu M, Quemeneur E
 
Bulletin de la Societe Chimique de France 1973 (1973) 2593-2595
Contribution a l'etude du compose Pb2-x M2 O7-y (M = Nb, Ti) de
type pyrochlore
_cod_database_code 1001052
_database_code_amcsd 0012106
10.52 10.52 10.52 90 90 90 *Fd3m
.125 .125 .125
atom    x    y    z occ
Pb1     0    0    0
Nb1    .5   .5   .5 .67
Ti1    .5   .5   .5 .33
O1   .439 .125 .125
O2   .125 .125 .125 .67
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Nb1.33 O6.66 Pb2 Ti0.66
 
Bachelier J, Hervieu M, Quemeneur E
 
Bulletin de la Societe Chimique de France 1973 (1973) 2593-2595
Contribution a l'etude du compose Pb2-x M2 O7-y (M = Nb, Ti)
_cod_database_code 1001168
_database_code_amcsd 0012107
10.52 10.52 10.52 90 90 90 *Fd3m
.125 .125 .125
atom    x    y    z   occ
Pb1     0    0    0
Nb1    .5   .5   .5  .667
Ti1    .5   .5   .5  .333
O1   .439 .125 .125
O2   .125 .125 .125 .6667
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Ba3 Cu2 Hg O10 Sr Tl2
 
Goutenoire F, Hervieu M, Martin C, Maignan A, Michel C, Letouze F, Raveau B
 
Chemistry of Materials 6 (1994) 1654-1658
Cationic substitutions in the "2201-1201" intergrowth Hg Tl2 Ba4 Cu2 O10
_cod_database_code 1000369
_database_code_amcsd 0012201
3.8289 3.8289 41.75699 90 90 90 I4/mmm
atom  x  y     z occ
Hg1   0  0     0
Tl1   0  0 .2237
Cu1   0  0 .1135
Ba1  .5 .5 .0664 .75
Sr1  .5 .5 .0664 .25
Ba2  .5 .5 .1596 .75
Sr2  .5 .5 .1596 .25
O1    0  0  .050
O2   .5  0  .114
O3    0  0  .174
O4   .5 .5  .228
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Tl3(CrO4)Sr8Cu4O16
 
Martin C, Letouze F, Maignan A, Seshadri R, Michel C, Hervieu M, Raveau B
 
Chemistry of Materials 8 (1996) 865-873
The superconducting copper oxychromate Tl3(CrO4)Sr8Cu4O16: long-
range ordering between thallium and chromium
_cod_database_code 1001725
_database_code_amcsd 0012210
3.778 15.244 17.67699 90 90 90 Amm2
atom  x    y     z
Tl1   0 .218     0
Tl2   0    0     0
Cr1   0    0    .5
Cu1   0    0 .7471
Cu2   0    0 .2529
Cu3   0  .25   .25
Sr1  .5 .121 .1523
Sr2  .5 .366 .1474
Sr3  .5 .134 .3526
Sr4  .5 .378 .3477
O1   .5    0  .267
O2   .5    0  .733
O3   .5  .25   .25
O4    0 .125 .2562
O5    0 .125 .7438
O6    0    0  .102
O7    0    0  .430
O8    0    0  .570
O9    0    0  .898
O10   0  .25  .108
O11   0  .25  .892
O12  .5 .125     0
O13  .5 .109    .5
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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
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Cr0.15 Cu2 N0.5 O10 Sr4 Tl0.85
 
Barnabe A, Letouze F, Pelloquin D, Maignan A, Hervieu M, Raveau B
 
Chemistry of Materials 9 (1997) 2205-2211
A new superconducting oxycarbonitrate: (Tl5/6Cr1/6)Sr4Cu2(CO3)1/2(NO3)1/2O7
_cod_database_code 1001789
_database_code_amcsd 0012212
3.8320 3.8320 16.41119 90 90 90 P4/mmm
atom    x  y     z   occ
Tl1  .102  0     0 .2125
Cr1  .102  0     0 .0375
Sr1    .5 .5 .1592
Sr2    .5 .5 .3723
Cu1     0  0 .2630
C1      0  0    .5    .5
N1      0  0    .5    .5
O1     .5 .5     0
O2      0  0 .1226
O3   .141  0 .4306   .25
O4   .332  0    .5   .25
O5     .5  0 .2719
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Ba2 Cu3 La O6.7
 
Hervieu M, Nguyen N, Michel C, Deslandes F, Raveau B
 
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 305 (1987) 1063-1068
A preliminary X-ray diffraction study of the tetragonal superconducting
oxide La Ba2 Cu3 O7-d
_cod_database_code 1001677
_database_code_amcsd 0012300
3.895 3.895 11.727 90 90 90 P4/mmm
atom  x  y     z  occ
La1  .5 .5    .5
Ba1  .5 .5 .1846
Cu1   0  0     0
Cu2   0  0 .3521
O1    0  0 .1720 .325
O2    0 .5 .3849
O3   .5  0     0
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Ba2 Ca2 Cu3 O8.84 Tl0.93
 
Martin C, Michel C, Maignan A, Hervieu M, Raveau B
 
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 307 (1988) 27-32
Tl Ba2-x Ca2+x Cu3 O10-y : un supraconducteur a 120 K, nouveau
terme d'une grande famille d'intercroissances de couches multiples
types chlorure de sodium et de couches multiples de type perovskite
deficitaires en oxygene
_cod_database_code 1001373
_database_code_amcsd 0012301
3.844 3.844 15.88 90 90 90 P4/mmm
atom  x  y     z occ
Tl1   0  0    .5 .93
Ba1  .5 .5 .3259
Ca1  .5 .5  .092
Cu1   0  0     0
Cu2   0  0 .1934
O1    0 .5     0
O2    0  0   .10 .32
O3    0 .5  .204 .80
O4    0  0  .328
O5   .5 .5    .5
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Y2BaPdO5
 
Laligant Y, Ferey G, Hervieu M, Raveau B
 
European Journal of Solid State and Inorganic Chemistry 25 (1988) 111-117
Crystal structure of palladate Y2BaPdO5 with square planar
coordinated Pd^2+^
_cod_database_code 1000242
_database_code_amcsd 0012517
6.523 6.523 5.831 90 90 90 P4/mbm
atom     x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba1      0     0     0  .0061  .0061  .0079      0      0      0
Pd1     .5     0     0  .0057  .0057  .0048  .0008      0      0
Y1   .1737 .3263    .5  .0046  .0046  .0058  .0009      0      0
O1   .3588 .1412 .2562  .0133  .0133  .0127  .0039  .0097  .0097
O2       0     0    .5  .0080  .0080  .0169      0      0      0
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Ba2PdO3
 
Laligant Y, Le Bail A, Ferey G, Hervieu M, Raveau B, Wilkinson A, Cheetham A
 
European Journal of Solid State and Inorganic Chemistry 25 (1988) 237-246
Synthesis and ab-initio structure determination from X-ray powder data
of Ba2PdO3 with sevenfold coordinated Ba.
Structural correlations with K2NiF4 and Ba2NiF6
_cod_database_code 1000071
_database_code_amcsd 0012519
13.335 4.080 3.8362 90 90 90 Immm
atom     x  y z
Ba   .3539  0 0
Pd       0  0 0
O1       0 .5 0
O2   .1519  0 0
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Cu2 O5.667 Pr Sr2
 
Lucas S, Caignaert V, Hervieu M, Michel C, Raveau B
 
European Journal of Solid State and Inorganic Chemistry 29 (1992) 399-409
The layered cuprates Sr2-xLn1+xCu2O6-d: a structure built up
from the two limit structures Sr2LnCu2O6 and Sr6Ln3Cu6O17
(Ln=Pr,Y)
_cod_database_code 1001506
_database_code_amcsd 0012554
3.7626 11.5157 20.1199 90 90 90 Immm
atom    x     y     z occ
Pr1     0     0     0
Sr1     0 .3005     0 .27
Pr2     0 .3005     0 .73
Sr2     0     0 .1968 .73
Pr3     0     0 .1968 .27
Sr3     0 .3229 .1772
Cu1     0     0 .5881
Cu2     0 .3517 .6007
O1      0 .1614 .4152
O2      0 .1361 .0976
O3      0     0 .6849
O4      0 .3482 .7012
O5      0 .3668    .5
O6   .295     0    .5  .5
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Ba Cu O6 Sr Tl2
 
Martin C, Maignan A, Huve M, Michel C, Hervieu M, Raveau B
 
European Journal of Solid State and Inorganic Chemistry 30 (1993) 7-18
The influence of alkaline-earth ions on the properties of the "2201"
superconductive cuprates: the solid solution Tl2Ba2-xSrxCuO6+d
_cod_database_code 1001521
_database_code_amcsd 0012561
3.7988 3.7988 22.7109 90 90 90 I4/mmm
atom    x  y     z occ
Tl1  .042  0 .2019 .25
Ba1    .5 .5 .0830  .5
Sr1    .5 .5 .0830  .5
Cu1     0  0     0
O1      0 .5     0
O2      0  0  .107
O3    .62  0  .207 .25
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Cu O6 Sr2 Tl2
 
Martin C, Maignan A, Huve M, Michel C, Hervieu M, Raveau B
 
European Journal of Solid State and Inorganic Chemistry 30 (1993) 7-18
The influence of alkaline-earth ions on the properties of the "2201"
superconductive cuprates: the solid solution Tl2Ba2-xSrxCuO6+d
_cod_database_code 1001522
_database_code_amcsd 0012562
3.7464 3.7464 22.3013 90 90 90 I4/mmm
atom    x  y     z occ
Tl1  .044  0 .2009 .25
Sr1    .5 .5 .0806
Cu1     0  0     0
O1      0 .5     0
O2      0  0  .107
O3    .58  0  .206 .25
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Cd0.33 Cu2.11 O7 Pb0.56 Sr2.09 Y0.91
 
Ledesert M, Labbe P, Groult D, Daniel P, Hervieu M, Raveau B
 
European Journal of Solid State and Inorganic Chemistry 30 (1993) 357-367
The crystal structure of the cadmium derivative 1212 lead cuprate (Pb,
Cd)Sr2YCu2O7
_cod_database_code 1001518
_database_code_amcsd 0012568
3.8108 3.8108 11.927 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)
Pb1    0    0     0   .56  .0405  .0405  .0073      0      0      0
Cd1    0    0     0   .26  .0405  .0405  .0073      0      0      0
Y1    .5   .5    .5   .91  .0061  .0061  .0115      0      0      0
Sr1   .5   .5    .5   .09  .0061  .0061  .0115      0      0      0
Sr2   .5   .5 .2091        .0125  .0125  .0139      0      0      0
Cu1    0    0 .3614        .0046  .0046  .0128      0      0      0
O1     0   .5 .3782         .012   .003   .024      0      0      0
O2     0    0  .168         .017   .017   .025      0      0      0
O3   .36   .5     0   .25    .08    .03    .03      0      0      0
Cd2    0 .190     0 .0175
Cu2    0 .190     0 .0275
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BiPbBaLaCuO6
 
Michel C, Pelloquin D, Hervieu M, Raveau B, Bouree F
 
European Journal of Solid State and Inorganic Chemistry 30 (1993) 991-996
Neutron diffraction study of the modulation free 2201-type structure: BiPbBaLaCuO6
_cod_database_code 1001570
_database_code_amcsd 0012585
5.4071 5.4895 24.549 90 90 90 Pnan
atom      x     y     z occ
Bi1  -.0052 .2666 .0605  .5
Pb1  -.0052 .2666 .0605  .5
Ba1   .0089   .75 .1756  .5
La1   .0089   .75 .1756  .5
Cu1      .5   .75   .25
O1      .75     0   .25
O2    .4966 .7814 .1464
O3    .9025 .6450 .0696  .5
O4    .0975 .6450 .0696  .5
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Cu1.85 Fe0.3 O10 Sr4 Tl0.85
 
Letouze F, Martin C, Hervieu M, Nguyen N, Maignan A, Michel C, Raveau B
 
European Journal of Solid State and Inorganic Chemistry 34 (1997) 983-990
Stabilisation of a thallium oxycarbonate by trivalent iron:
Tl0.85Sr4Cu1.85Fe0.30(CO3)O7
_cod_database_code 1001793
_database_code_amcsd 0012611
3.8246 3.8246 16.5069 90 90 90 P4/mmm
atom    x  y     z   occ
Tl1  .069  0     0 .2125
Fe1  .069  0     0 .0175
Cu1  .069  0     0   .02
Sr1    .5 .5 .1587
Sr2    .5 .5 .3737
Cu2     0  0 .2634  .885
Fe2     0  0 .2634  .115
C1      0  0    .5
O1    .53 .5     0   .25
O2      0  0  .123
O3   .146  0  .418   .25
O4    .34  0    .5   .25
O5     .5  0  .271
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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
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Cu Nd O2.5
 
Chen B, Walker D, Suard E, Scott B, Mercey B, Hervieu M, Raveau B
 
Inorganic Chemistry 34 (1995) 2077-2083
High pressure synthesis of Nd Cu O3-d perovskites (0
_cod_database_code 1001663
_database_code_amcsd 0012711
5.596 10.29 3.806 90 90 90 Pbam
atom     x     y  z
Nd1  .3224 .3564 .5
Cu1  .2985 .0981  0
O1    .281  .098 .5
O2    .543  .223  0
O3       0     0  0
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Cu Nd O2.6
 
Chen B, Walker D, Suard E, Scott B, Mercey B, Hervieu M, Raveau B
 
Inorganic Chemistry 34 (1995) 2077-2083
High pressure synthesis of Nd Cu O3-d perovskites (0
_cod_database_code 1001664
_database_code_amcsd 0012712
8.560 8.534 3.777 90 90 90.45 P2/m
atom     x     y  z
Nd1     .5    .5 .5
Nd2  .1369 .7293 .5
Nd3  .2732 .1459 .5
Cu1      0     0  0
Cu2   .166  .420  0
Cu3   .429  .830  0
O1    .075  .159  0
O2    .366  .281  0
O3    .281  .611  0
O4    .239  .943  0
O5    .154  .424 .5
O6    .396  .824 .5
O7       0     0 .5
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Cu Nd O2.93
 
Chen B, Walker D, Suard E, Scott B, Mercey B, Hervieu M, Raveau B
 
Inorganic Chemistry 34 (1995) 2077-2083
High pressure synthesis of Nd Cu O3-d perovskites (0
_cod_database_code 1001665
_database_code_amcsd 0012713
5.334 6.308 7.196 90 90 90 Pbnm
atom     x     y    z  occ
Nd1  .0250 .0961  .25
Cu1     .5     0    0
O1    .620  .975  .25 .977
O2    .276  .342 .054 .977
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Cu Fe O6 Pb2 Sr2
 
Rouillon T, Caldes M, Genouel R, Michel C, Hervieu M, Raveau B
 
Journal of Materials Chemistry 5 (1995) 1163-1170
An ordered oxygen deficient K2 Ni F4 structure: Pb2 Sr2 Cu Fe O6
_cod_database_code 1001710
_database_code_amcsd 0013075
5.4604 5.5227 12.2112 90 90 90 Cmmm
atom    x    y     z occ
Cu1     0    0     0
Pb1     0   .5 .1446
Sr1     0    0 .3569
Fe1    .5    0    .5
O1   .096 .079  .147 .25
O2      0   .5  .332
O3    .25  .25    .5
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Cu Fe O6 Pb2 Sr2
 
Rouillon T, Caldes M, Genouel R, Michel C, Hervieu M, Raveau B
 
Journal of Materials Chemistry 5 (1995) 1163-1170
An ordered oxygen deficient K2 Ni F4 structure: Pb2 Sr2 Cu Fe O6
_cod_database_code 1001711
_database_code_amcsd 0013076
5.4606 5.5228 12.2112 90 90 90 P2an
atom    x     y     z
Cu1     0     0     0
Pb1     0  .506 .1445
Sr1     0 -.002 .3567
Fe1    .5     0    .5
O1   .108 -.090  .145
O2      0    .5  .332
O3    .25   .25    .5
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Cu Fe O6 Pb2 Sr2
 
Rouillon T, Caldes M, Genouel R, Michel C, Hervieu M, Raveau B
 
Journal of Materials Chemistry 5 (1995) 1163-1170
An ordered oxygen deficient K2 Ni F4 structure: Pb2 Sr2 Cu Fe O6
_cod_database_code 1001712
_database_code_amcsd 0013077
5.4604 5.5227 12.2110 90 90 90 P2_1am
atom    x    y     z
Cu1   .25  .25     0
Pb1   .25 .751 .1446
Sr1   .25 .256 .3570
Fe1   .25  .75    .5
O1   .164 .176  .148
O2    .25  .75  .333
O3      0    0    .5
O4     .5   .5    .5
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Ba Bi Cu La O6 Pb
 
Pham A, Michel C, Hervieu M, Maignan A, Raveau B
 
Journal of Physics and Chemistry of Solids 54 (1993) 65-71
Substitution of lead for bismuth in the 2201-type oxide
Bi2BaLaCuO6+d
_cod_database_code 1001550
_database_code_amcsd 0013237
5.4028 5.4745 24.515 90 90 90 Fmmm
atom    x    y     z occ
Bi1  .033    0 .1897 .25
Pb1  .033    0 .1897 .25
Ba1     0    0 .4247  .5
La1     0    0 .4247  .5
Cu1     0    0     0
O1    .25  .25     0
O2      0    0 .0968
O3   .094 .110 .3067 .25
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Ba Cu2 Nd O7 Sr Tl
 
Huve M, Martin C, Michel C, Maignan A, Hervieu M, Raveau B
 
Journal of Physics and Chemistry of Solids 54 (1993) 145-152
Influence of the size of alkaline earth cations on the structural
distortion and transport properties of the semiconducting 1212 - type
cuprates TlBa2-xSrxLnCu2O7
_cod_database_code 1001523
_database_code_amcsd 0013238
3.8798 3.8798 12.2573 90 90 90 P4/mmm
atom    x  y     z occ
Tl1  .081  0     0 .25
Ba1    .5 .5 .2084  .5
Sr1    .5 .5 .2084  .5
Nd1    .5 .5    .5
Cu1     0  0 .3609
O1      0 .5  .376
O2      0  0  .174
O3     .5 .5     0
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Cu2 Nd O7 Sr2 Tl
 
Huve M, Martin C, Michel C, Maignan A, Hervieu M, Raveau B
 
Journal of Physics and Chemistry of Solids 54 (1993) 145-152
Influence of the size of alkaline earth cations on the structural
distortion and transport properties of the semiconducting 1212 - type
cuprates TlBa2-xSrxLnCu2O7
_cod_database_code 1001524
_database_code_amcsd 0013239
3.8503 3.8503 12.0724 90 90 90 P4/mmm
atom    x  y     z occ
Tl1  .069  0     0 .25
Sr1    .5 .5 .2092
Nd1    .5 .5    .5
Cu1     0  0 .3581
O1      0 .5  .366
O2      0  0  .176
O3     .5 .5     0
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Ba Cu2 O7 Sr Tl Y
 
Huve M, Martin C, Michel C, Maignan A, Hervieu M, Raveau B
 
Journal of Physics and Chemistry of Solids 54 (1993) 145-152
Influence of the size of alkaline earth cations on the structural
distortion and transport properties of the semiconducting 1212 - type
cuprates TlBa2-xSrxLnCu2O7
_cod_database_code 1001525
_database_code_amcsd 0013240
3.8421 3.8421 12.2064 90 90 90 P4/mmm
atom    x  y     z occ
Tl1  .085  0     0 .25
Ba1    .5 .5 .2098  .5
Sr1    .5 .5 .2098  .5
Y1     .5 .5    .5
Cu1     0  0 .3638
O1      0 .5  .391
O2      0  0  .179
O3     .5 .5     0
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Cu2 O7 Sr2 Tl Y
 
Huve M, Martin C, Michel C, Maignan A, Hervieu M, Raveau B
 
Journal of Physics and Chemistry of Solids 54 (1993) 145-152
Influence of the size of alkaline earth cations on the structural
distortion and transport properties of the semiconducting 1212 - type
cuprates TlBa2-xSrxLnCu2O7
_cod_database_code 1001526
_database_code_amcsd 0013241
3.8157 3.8157 11.9963 90 90 90 P4/mmm
atom    x  y     z occ
Tl1  .060  0     0 .25
Sr1    .5 .5 .2101
Y1     .5 .5    .5
Cu1     0  0 .3638
O1      0 .5  .378
O2      0  0  .173
O3     .5 .5     0
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Ca0.3333 Nb0.6667 O3 Sr
 
Hervieu M, Raveau B
 
Journal of Solid State Chemistry 28 (1979) 209-222
Les Perovskites (Ca1-x Srx) (Ca.3333 Nb.6667) O3
_cod_database_code 1001072
_database_code_amcsd 0013365
8.19 8.19 8.209 90 90 90 P-4
atom    x     y     z   occ
Sr1   .25   .25  .255
Sr2   .25   .25  .739
Ca1     0     0     0 .6667
Ca2    .5    .5     0 .6667
Ca3     0    .5  .479 .6667
Nb1     0     0     0 .3333
Nb2    .5    .5     0 .3333
Nb3     0    .5  .479 .3333
Nb4     0     0    .5
Nb5    .5    .5    .5
Nb6     0    .5 -.022
O1      0     0 .2696
O2     .5    .5 .2694
O3      0    .5 .2304
O4      0    .5 .7696
O5   .248  .584    .5
O6    .23 -.084    .5
O7   .248 -.084     0
O8    .23  .584     0
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Cs Nb O7 Ti2
 
Hervieu M, Raveau B
 
Journal of Solid State Chemistry 32 (1980) 161-165
A Layer Structure: The Titanoniobate Cs Ti2 Nb O7
_cod_database_code 1001131
_database_code_amcsd 0013382
9.326 18.412 3.798 90 90 90 Pnam
atom     x     y   z occ
Cs1  .2921 .2117 .75
Ti1  .9538 .0629 .25  .8
Ti2    .26 .0209 .25  .9
Ti3  .6198 .1159 .25  .3
Nb1  .9538 .0629 .25  .2
Nb2    .26 .0209 .25  .1
Nb3  .6198 .1159 .25  .7
O1   .5361 .2118 .25
O2   .8172 .1411 .25
O3    .148 .0982 .25
O4   .4305 .0599 .25
O5   .2287 .4983 .25
O6   .5478 .5413 .25
O7   .8401    .6 .25
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K3 Nb O14 Ti5
 
Hervieu M, Rebbah A, Desgardin G, Raveau B
 
Journal of Solid State Chemistry 35 (1980) 200-206
Layer Structure: The Oxides A3 Ti5 M O14
_cod_database_code 1001106
_database_code_amcsd 0013410
18.371 3.794 9.199 90 101.21 90 C2/m
atom     x y    z  occ
K1   -.012 0 .070   .5
K2   .0800 0 .602
Ti1  .6268 0 .330 .575
Nb1  .6268 0 .330 .425
Ti2  .6795 0 .016 .925
Nb2  .6795 0 .016 .075
Ti3  .7294 0 .712
O1    .540 0 .373
O2    .598 0 .086
O3    .653 0 .813
O4    .678 0 .534
O5    .726 0 .265
O6    .793 0 .972
O7    .848 0 .669
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K3 O14 Ta Ti5
 
Hervieu M, Rebbah A, Desgardin G, Raveau B
 
Journal of Solid State Chemistry 35 (1980) 200-206
Layer Structure: The Oxides A3 Ti5 M O14
_cod_database_code 1001107
_database_code_amcsd 0013411
18.363 3.791 9.174 90 101.28 90 C2/m
atom     x y    z occ
K1   -.010 0 .054  .5
K2   .0806 0 .623
Ti1  .6253 0 .321  .6
Ta1  .6253 0 .321  .4
Ti2  .6784 0 .020 .95
Ta2  .6784 0  .20 .05
Ti3  .7310 0 .716 .95
Ta3  .7310 0 .716 .05
O1    .528 0 .387
O2    .600 0 .104
O3    .651 0 .801
O4    .683 0 .524
O5    .741 0  .25
O6    .794 0 .981
O7    .848 0 .661
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Nb O14 Rb3 Ti5
 
Hervieu M, Rebbah A, Desgardin G, Raveau B
 
Journal of Solid State Chemistry 35 (1980) 200-206
Layer Structuer: The Oxides A3 Ti5 M O14
_cod_database_code 1001108
_database_code_amcsd 0013412
19.073 3.814 9.223 90 100.93 90 C2/m
atom     x y    z occ
Rb1  -.012 0 .049  .5
Rb2  .0730 0 .627
Ti1  .6317 0 .333 .55
Nb1  .6317 0 .333 .45
Ti2  .6856 0 .014 .95
Nb2  .6856 0 .014 .05
Ti3  .7328 0 .708
O1   .5354 0 .361
O2    .610 0 .106
O3    .660 0 .815
O4    .683 0 .538
O5    .741 0 .268
O6    .788 0 .946
O7    .850 0 .657
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Cu La0.74 O4 Sr1.2
 
Nguyen N, Choisnet J, Hervieu M, Raveau B
 
Journal of Solid State Chemistry 39 (1981) 120-127
Oxygen Defect K2NiF4-Type Oxides: The Compounds La2-xSrxCuO4-x/2+d
_cod_database_code 1001204
_database_code_amcsd 0013418
18.804 18.804 12.941 90 90 90 I4/mmm
atom    x    y    z occ
Sr1     0    0 .347
Sr2  .194    0 .359 .75
La1  .194    0 .359 .25
Sr3  .403    0 .356 .75
La2  .403    0 .356 .25
Sr4    .2   .2 .357
Sr5   .41  .41 .358
La3  .389 .192 .357  .9
Cu1     0    0    0
Cu2    .2    0    0
Cu3    .4    0    0
Cu4    .2   .2    0
Cu5  .405 .405    0
Cu6  .403 .205    0
O1      0    0 .168
O2   .216    0 .168
O3   .382    0 .168
O4   .182 .182 .172
O5     .4   .4 .168
O6     .4 .202 .163
O7     .1    0    0
O8     .3    0    0
O9      0   .5    0
O10  .214   .1    0
O11   .43   .1    0
O12    .3   .2    0
O13   .39  .31    0
O14    .2   .5    0
O15    .4   .5    0
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LiFeSnO4
 
Choisnet J, Hervieu M, Raveau B, Tarte P
 
Journal of Solid State Chemistry 40 (1981) 344-351
Two Polymorphous Lithium Stannoferrites LiFeSnO4: A Ramsdellite-
Type and a Hexagonal Close-Packed Structure
_cod_database_code 1001219
_database_code_amcsd 0013458
3.066 5.066 9.874 90 90 90 Pmcn
atom   x    y     z occ
Li1  .25  .86   .44 .25
Li2  .25  .97   .57 .25
Fe1  .25 .981 .1418  .5
Sn1  .25 .981 .1418  .5
O1   .25 .687  .284
O2   .25 .212 -.040
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Fe Li O4 Sn
 
Choisnet J, Hervieu M, Raveau B, Tarte P
 
Journal of Solid State Chemistry 40 (1981) 344-351
Two Polymorphous Lithium Stannoferrites Li Fe Sn O4: A Ramsdellite-
Type and a Hexagonal Close-Packed Structure
_cod_database_code 1001220
_database_code_amcsd 0013459
6.012 6.012 9.776 90 90 120 P6_3mc
atom    x     y     z  occ
Sn1   1/3   2/3  .497
Li1   1/6  -1/6  .214 .146
Fe1   1/6  -1/6  .214  .52
Sn2   1/6  -1/6  .214 .333
Li2   1/3   2/3 -.082  .56
Fe2   1/3   2/3 -.082  .44
Li3     0     0   .51
O1      0     0  .325
O2    1/3   2/3  .107
O3   .481 -.481  .342
O4   .160 -.160  .612
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Al Cr2 Li2 O8 Sb
 
Tarte P, Cahay R, Preudhomme J, Hervieu M, Choisnet J, Raveau B
 
Journal of Solid State Chemistry 44 (1982) 282-289
Hexagonal-spinel transitions in antimonates Li2Cr(3-x)M(III)xSbO8
_cod_database_code 1001227
_database_code_amcsd 0013487
5.796 5.796 9.466 90 90 120 P6_3mc
atom     x      y     z   occ
Li1    1/3    2/3 -.116
Li2      0      0  .512
Cr1  .1724 -.1724 .2151 .6667
Al1  .1724 -.1724 .2151 .3333
Sb1    1/3    2/3 .4910
O1       0      0  .302
O2     1/3    2/3  .090
O3    .482  -.482  .346
O4    .165  -.165  .596
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Al2 Cr Li2 O8 Sb
 
Tarte P, Cahay R, Preudhomme J, Hervieu M, Choisnet J, Raveau B
 
Journal of Solid State Chemistry 44 (1982) 282-289
Hexagonal-spinel transitions in antimonates Li2Cr(3-x)M(III)xSbO8
_cod_database_code 1001228
_database_code_amcsd 0013488
5.703 5.703 9.392 90 90 120 P6_3mc
atom     x      y     z   occ
Li1    1/3    2/3 -.076
Li2      0      0  .555
Cr1  .1660 -.1660 .2503 .3333
Al1  .1660 -.1660 .2503 .6667
Sb1    1/3    2/3 .5202
O1       0      0  .338
O2     1/3    2/3  .165
O3    .490  -.490  .389
O4    .171  -.171  .652
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Cr2 Fe Li2 O8 Sb
 
Tarte P, Cahay R, Preudhomme J, Hervieu M, Choisnet J, Raveau B
 
Journal of Solid State Chemistry 44 (1982) 282-289
Hexagonal-spinel transitions in antimonates Li2Cr(3-x)M(III)xSbO8
_cod_database_code 1001229
_database_code_amcsd 0013489
5.867 5.867 9.542 90 90 120 P6_3mc
atom     x      y     z   occ
Li1    1/3    2/3 -.097
Li2      0      0  .523
Cr1  .1710 -.1710 .2118 .6667
Fe1  .1710 -.1710 .2118 .3333
Sb1    1/3    2/3 .4914
O1       0      0  .310
O2     1/3    2/3  .101
O3    .475  -.475  .365
O4    .171  -.171  .598
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Fe3 Li2 O8 Sb
 
Tarte P, Cahay R, Preudhomme J, Hervieu M, Choisnet J, Raveau B
 
Journal of Solid State Chemistry 44 (1982) 282-289
Hexagonal-spinel transitions in antimonates Li2Cr(3-x)M(III)xSbO8
_cod_database_code 1001230
_database_code_amcsd 0013490
5.923 5.923 9.641 90 90 120 P6_3mc
atom     x      y     z occ
Li1    1/3    2/3 -.072 .55
Fe1    1/3    2/3 -.072 .45
Li2      0      0  .510 .67
Fe2      0      0  .510 .33
Li3  .1697 -.1697  .204 .26
Fe3  .1697 -.1697  .204 .63
Sb1  .1697 -.1697  .204 .11
Sb2    1/3    2/3 .4802 .67
Fe4    1/3    2/3 .4802 .33
O1       0      0  .304
O2     1/3    2/3  .114
O3    .481  -.481  .344
O4    .180  -.180  .581
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Cr2 Fe Li2 O8 Sb
 
Tarte P, Cahay R, Preudhomme J, Hervieu M, Choisnet J, Raveau B
 
Journal of Solid State Chemistry 44 (1982) 282-289
Hexagonal-spinel transitions in antimonates Li2Cr(3-x)M(III)xSbO8
_cod_database_code 1001231
_database_code_amcsd 0013491
8.398 8.398 8.398 90 90 90 Fd3m
atom    x    y    z   occ
Li1     0    0    0 .3333
Cr1     0    0    0 .3333
Fe1     0    0    0 .1667
Sb1     0    0    0 .1667
Li2  .625 .625 .625 .3333
Cr2  .625 .625 .625 .3333
Fe2  .625 .625 .625 .1667
Sb2  .625 .625 .625 .1667
O1   .384 .384 .384
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Fe3 Li2 O8 Sb
 
Tarte P, Cahay R, Preudhomme J, Hervieu M, Choisnet J, Raveau B
 
Journal of Solid State Chemistry 44 (1982) 282-289
Hexagonal-spinel transitions in antimonates Li2Cr(3-x)M(III)xSbO8
_cod_database_code 1001232
_database_code_amcsd 0013492
8.425 8.425 8.425 90 90 90 Fd3m
atom    x    y    z   occ
Li1     0    0    0 .3333
Fe1     0    0    0    .5
Sb1     0    0    0 .1667
Li2  .625 .625 .625 .3333
Fe2  .625 .625 .625    .5
Sb2  .625 .625 .625 .1667
O1   .382 .382 .382
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LiFeSnO4
 
Lacorre P, Hervieu M, Pannetier J, Choisnet J, Raveau B
 
Journal of Solid State Chemistry 50 (1983) 196-203
Neutron diffraction study of Li1+x (Li2x/3 Fe1-x Sn1+x/3) O4, a
nonstoichiometric ramsdellite and its transition to a double hexagonal
close packed structure for x = 0
_cod_database_code 1000432
_database_code_amcsd 0013515
3.066 5.066 9.874 90 90 90 Pmcn
atom   x     y      z occ
Li1  .25  .935   .466 .38
Li2  .25  .972   .605 .12
Fe1  .25 .9861  .1419  .5
Sn1  .25 .9861  .1419  .5
O1   .25 .7076  .2828
O2   .25 .2039 -.0394
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Li.7Fe.375Sn.54O2
 
Lacorre P, Hervieu M, Pannetier J, Choisnet J, Raveau B
 
Journal of Solid State Chemistry 50 (1983) 196-203
Neutron diffraction study of Li1+x (Li2x/3 Fe1-x Sn1+x/3) O4, a
nonstoichiometric ramsdellite and its transition to a double hexagonal
close packed structure for x = 0
_cod_database_code 1000433
_database_code_amcsd 0013516
3.074 5.116 9.881 90 90 90 Pmcn
atom   x     y      z  occ
Li1  .25  .907   .423 .625
Li2  .25 .9663  .1362 .083
Fe1  .25 .9663  .1362 .375
Sn1  .25 .9663  .1362 .542
O1   .25 .6602  .2704
O2   .25 .2154 -.0347
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LiFeSnO4
 
Lacorre P, Hervieu M, Pannetier J, Choisnet J, Raveau B
 
Journal of Solid State Chemistry 50 (1983) 196-203
Neutron diffraction study of Li1+x (Li2x/3 Fe1-x Sn1+x/3) O4, a
nonstoichiometric ramsdellite and its transition to a double hexagonal
close packed structure for x = 0
_cod_database_code 1000434
_database_code_amcsd 0013517
6.012 6.012 9.776 90 90 120 P6_3mc
atom     x      y     z   occ
Li1    1/3    2/3 -.095   .56
Fe1    1/3    2/3 -.095   .44
Li2      0      0  .502
Sn1    1/3    2/3 .4862
Li3  .1675 -.1675  .214 .1467
Fe2  .1675 -.1675  .214   .52
Sn2  .1675 -.1675  .214 .3333
O1       0      0 .3145
O2     1/3    2/3 .1076
O3   .4808 -.4808 .3464
O4   .1737 -.1737 .6036
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Fe4 Li4.66 O16 Sb2 Sn1.32
 
Lacorre P, Hervieu M, Choisnet J, Raveau B
 
Journal of Solid State Chemistry 51 (1984) 44-52
Oxydes M3 O4 a empilement hexagonal double type D.H.LiFeSnO4
(M = Li,Fe,Sb,Sn): Transitions reversibles ramsdellite - D.H.LiFeSnO4
_cod_database_code 1000196
_database_code_amcsd 0013519
5.950 5.950 9.701 90 90 120 P6_3mc
atom     x      y     z   occ
Sb1    1/3    2/3 .4999 .5723
Sn1    1/3    2/3 .4999 .3777
Fe1    1/3    2/3 .4999   .05
Fe2  .1692 -.1692 .2216   .53
Sb2  .1692 -.1692 .2216 .1446
Sn2  .1692 -.1692 .2216 .0954
Li1  .1692 -.1692 .2216   .23
Li2    1/3    2/3 -.075   .64
Fe3    1/3    2/3 -.075   .36
Li3      0      0  .510
O1       0      0 .3146
O2     1/3    2/3 .1216
O3   .4784 -.4784 .3609
O4   .1607 -.1607 .6077
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Fe2 Li2.33 O8 Sb Sn0.66
 
Lacorre P, Hervieu M, Choisnet J, Raveau B
 
Journal of Solid State Chemistry 51 (1984) 44-52
Oxydes M3 O4 a empilement hexagonal double type D.H.LiFeSnO4
(M = Li,Fe,Sb,Sn): Transitions reversibles ramsdellite - D.H.LiFeSnO4
_cod_database_code 1000197
_database_code_amcsd 0013520
3.031 5.045 9.798 90 90 90 Pmcn
atom   x    y     z   occ
Li1  .25 .925  .425   .25
Li2  .25  .91   .55   .25
Li3  .25 .974 .1396 .0833
Fe1  .25 .974 .1396    .5
Sb1  .25 .974 .1396   .25
Sn1  .25 .974 .1396 .1667
O1   .25 .725  .270
O2   .25 .219 -.043
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Ba0.15 O3 W
 
Michel C, Hervieu M, Tilley R, Raveau B
 
Journal of Solid State Chemistry 52 (1984) 281-291
Ba.15 W O3: A Bronze with an Original Pentagonal Tunnel Structure
_cod_database_code 1001273
_database_code_amcsd 0013525
8.859 10.039 3.808 90 90 90 Pbmm
atom     x     y  z occ
Ba1   .920   .25 .5 .45
W1   .5695   .25  0
W2   .2054 .4393  0
O1    .567   .25 .5
O2    .198  .408 .5
O3    .171   .25  0
O4       0     0  0
O5    .432  .106  0
O6    .722  .123  0
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KCuTa3O9
 
Groult D, Hervieu M, Raveau B
 
Journal of Solid State Chemistry 53 (1984) 184-192
A Pentagonal Tunnel Structure with Copper in Square Planar
Coordination: The Oxides KCuNb3O9 and KCuTa3O9
_cod_database_code 1001197
_database_code_amcsd 0013527
8.862 10.187 7.638 90 90 90 Pnc2
atom     x     y     z
K1    .081  .259  .255
Cu1     .5     0  .252
Cu2     .5     0  .752
Ta1  .4292  .252 -.003
Ta2  .8021 .4360 -.018
Ta3  .7991 .0613 -.012
O1       0     0     0
O2       0     0    .5
O3    .260  .118 -.031
O4    .259  .403  .061
O5    .575  .384  .058
O6    .576  .392  .461
O7    .875  .253  .006
O8    .406  .186  .258
O9    .171  .589  .249
O10   .271  .540  .757
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Ca3 Mn3 O8.02
 
Nguyen N, Calage Y, Varret F, Ferey G, Caignaert V, Hervieu M, Raveau B
 
Journal of Solid State Chemistry 53 (1984) 398-405
The oxygen defect Perovskite Ca3 Mn1.35 Fe1.65 O8.02: a highly
frustrated antiferromagnet
_cod_database_code 1000194
_database_code_amcsd 0013529
5.332 11.13 5.455 90 90 90 Pm2a
atom    x    y    z occ
Ca1   .25   .5  .75
Ca2   .24 .183   .7  .5
Ca3   .24 .834   .7  .5
Mn1   .27 .332 .259  .5
Mn2   .25 .665 .255
Mn3  .232    0 .237  .5
O1      0 .329    0
O2      0 .665    0
O3      0  .33   .5
O4      0  .66   .5
O5    .25   .5  .25  .7
O6    .25  .17  .25
O7    .25 .829  .25
O8      0  .01    0
O9      0  .01   .5  .3
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O5 P Ta
 
Chahboun H, Groult D, Hervieu M, Raveau B
 
Journal of Solid State Chemistry 65 (1986) 331-342
beta Nb P O5 and beta Ta P O5: Bronzoids, second members of the
monophosphate tungsten bronze series (P O2)4 (W O3)2M
_cod_database_code 1001681
_database_code_amcsd 0013588
13.07 5.281 13.24 90 120.4 90 P2_1/c
atom     x    y     z
Ta1  .4323 .248 .3007
Ta2  .9389 .249 .1327
P1    .150  .25  .053
P2    .652  .25  .084
O1       0    0   .25
O2      .5   .5   .25
O3    .878    0  .016
O4    .878   .5  .018
O5    .378   .5  .377
O6    .377    0  .377
O7    .787  .25  .133
O8    .279  .25  .154
O9    .597  .25  .452
O10   .078  .25  .117
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Ba Cu5 La4 O13.16
 
Michel C, Er Rakho L, Hervieu M, Pannetier J, Raveau B
 
Journal of Solid State Chemistry 68 (1987) 143-152
Ba La4 Cu5 O13+d, an oxygen-deficient perovskite built pu from corner-
sharing Cu O6 octahedra and Cu O5 pyramids
_cod_database_code 1001688
_database_code_amcsd 0013600
8.6475 8.6475 3.8594 90 90 90 P4/m
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 .5      .0088  .0088   .007      0      0      0
La1  .1262 .2789 .5
Cu1      0     0  0
Cu2  .4154 .1718  0
O1       0     0 .5      .0260  .0260  .0007      0      0      0
O2       0    .5  0 .06
O3   .2697 .3905  0
O4   .2267 .0650  0
O5   .4157 .1559 .5
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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
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Ba2 Cu2.5 O7 Pd0.5 Y
 
Ferey G, Le B, Laligant Y, Hervieu M, Raveau B, Sulpice A, Tournier R
 
Journal of Solid State Chemistry 73 (1988) 610-614
Ordered Pd^2+^ - Cu^2+^ Substitution on 1.2.3 Superconductor: The Oxide
Y Ba2 Cu(3-x) Pdx Oy (x=0.5) with Pd2+ in Square Planar Coordination
_cod_database_code 1008372
_database_code_amcsd 0016282
3.841 3.883 11.671 90 90 90 Pmmm
atom  x  y     z occ
Y1   .5 .5    .5
Ba1  .5 .5 .1841
Cu1   0  0 .3582
Cu2   0  0     0  .5
Pd1   0  0     0  .5
O1    0  0  .158
O2    0 .5  .367
O3   .5  0  .388
O4   .5  0     0
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Ba2 Ca1.9 Cu3 O10.94 Tl1.82
 
Hervieu M, Michel C, Maignan A, Martin C, Raveau B
 
Journal of Solid State Chemistry 74 (1988) 428-432
The 125 K Superconductor Tl2-x Ba2 Ca2 Cu3 O10+d: A Tentative
Structural Model
_cod_database_code 1001366
_database_code_amcsd 0013617
3.85 3.85 35.6 90 90 90 I4/mmm
atom x  y     z  occ
Tl1  0  0 .2185 .879
Ba1  0  0 .6428
Ca1  0  0 .5432  .97
Tl2  0  0 .5432  .03
Cu1  0  0     0
Cu2  0  0 .0995
O1   0 .5     0
O2   0  0  .049  .47
O3   0 .5  .095
O4   0  0  .155
O5   0  0  .718
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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
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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
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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
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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
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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
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Cu6 Nd3 O17 Sr6
 
Caignaert V, Retoux R, Hervieu M, Michel C, Raveau B
 
Journal of Solid State Chemistry 91 (1991) 41-46
Sr6 Nd3 Cu6 O17: an intergrowth of the "123"-phase and rock salt-type
structure
_cod_database_code 1001697
_database_code_amcsd 0013703
3.7547 11.4882 20.0976 90 90 90 Immm
atom     x     y     z occ
Nd1      0     0     0
Nd2      0 .2989     0 .56
Sr1      0 .2989     0 .44
Nd3      0     0 .1962 .44
Sr2      0     0 .1962 .56
Sr3      0 .3231 .1772
Cu1      0     0 .5881
Cu2      0 .3521 .6010
O1       0 .1610 .4154
O2       0 .1352 .0979
O3       0     0 .6849
O4       0 .3495 .7013
O5       0 .3678    .5
O6   .3077     0    .5  .5
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Ba Ce0.9 Cu0.9 Fe1.1 Nd O7
 
Michel C, Hervieu M, Raveau B
 
Journal of Solid State Chemistry 92 (1991) 339-351
BaNdCe0.9Fe1+xCu1-xO7-d: an intergrowth of the BaYFeCuO5 type
and CeO2 fluorite type structures
_cod_database_code 1001482
_database_code_amcsd 0013716
3.9025 3.9025 20.8955 90 90 90 I4/mmm
atom x  y     z occ
Ba1  0  0    .5
Nd1  0  0 .3124  .5
Ce1  0  0 .3124 .45
Fe1  0  0 .0976 .55
Cu1  0  0 .0976 .45
O1   0  0     0
O2   0 .5 .1124
O3   0 .5   .25
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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
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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
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Ba0.93 Cu3.01 O7 Pb0.99 Sr1.07 Y
 
Rouillon T, Caignaert V, Hervieu M, Michel C, Groult D, Raveau B
 
Journal of Solid State Chemistry 97 (1992) 56-64
PbBaSrYCu3O7: a "0223" structure, intergrowth of single rock salt
layers and triple oxygen-deficient perovskite layers; X-ray, neutron
diffraction, and electron microscopy study
_cod_database_code 1001594
_database_code_amcsd 0013730
3.8432 3.8432 27.422 90 90 90 I4mm
atom    x  y      z occ
Cu1     0  0      0
Ba1    .5 .5  .0689 .66
Sr1    .5 .5  .0689 .34
Cu2     0  0  .1535
Pb1    .5 .5  .2143 .99
Cu3    .5 .5  .2143 .01
Ba2     0  0  .3109 .27
Sr2     0  0  .3109 .73
Cu4    .5 .5  .3797
Y1      0  0  .4398
O1      0 .5 -.0052
O2      0  0  .0932
O3   .143  0  .2153 .25
O4     .5 .5  .2924
O5      0 .5  .3922
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Ba Cu3 O7.01 Pb Sr Y
 
Rouillon T, Caignaert V, Hervieu M, Michel C, Groult D, Raveau B
 
Journal of Solid State Chemistry 97 (1992) 56-64
PbBaSrYCu3O7: a "0223" structure, intergrowth of single rock salt
layers and triple oxygen-deficient perovskite layers; X-ray, neutron
diffraction, and electron microscopy study
_cod_database_code 1001595
_database_code_amcsd 0013731
3.8436 3.8436 27.42599 90 90 90 I4mm
atom     x  y      z occ
Cu1      0  0      0
Ba1     .5 .5  .0704  .7
Sr1     .5 .5  .0704  .3
Cu2      0  0  .1533
Pb1     .5 .5  .2152
Ba2      0  0  .3119  .3
Sr2      0  0  .3119  .7
Cu3     .5 .5  .3789
Y1       0  0  .4395
O1       0 .5 -.0079
O2       0  0  .0874
O3   .1366  0  .2190 .25
O4      .5 .5  .2929
O5       0 .5  .3869
O6      .5 .5  .4395 .01
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Fe2 O9 Pb0.78 Sr4
 
Lucas S, Groult D, Nguyen N, Michel C, Hervieu M, Raveau B
 
Journal of Solid State Chemistry 102 (1993) 20-30
Pb1-xSr4Fe2O9-d: a layered iron oxide intergrowth of 1201- and
0201-type structures
_cod_database_code 1001559
_database_code_amcsd 0013759
3.8349 3.8349 30.664 90 90 90 I4/mmm
atom    x  y     z   occ
Pb1  .060  0     0 .1962
Sr1    .5 .5 .0851
Sr2    .5 .5 .2054
Fe1     0  0 .1499
O1      0  0    .5
O2   .192  0 .0694   .25
O3     .5  0 .1441
O4      0  0 .2124
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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
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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
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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
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Ba0.5 Bi1.5 O2.75
 
Michel, Pelloquin D, Hervieu M, Raveau B
 
Journal of Solid State Chemistry 109 (1994) 122-126
The anionic superconductor Bi3BaO5.5: A bcc structure closely
related to the perovskite. Relationships with anti alpha-AgI
_cod_database_code 1001619
_database_code_amcsd 0013798
4.3822 4.3822 4.3822 90 90 90 Im3m
atom  x y z   occ
Bi1   0 0 0   .75
Ba1   0 0 0   .25
O1   .5 0 0 .4583
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Ba2.5 Bi1.5 Cu2 La O8.24
 
Michel C, Pelloquin D, Hervieu M, Raveau B
 
Journal of Solid State Chemistry 112 (1994) 362-366
Neutron diffraction study of the nonmodulated 2212-type cuprate
Bi1.5Ba2.5LaCu2O8.25
_cod_database_code 1001612
_database_code_amcsd 0013831
3.9322 3.9322 31.23999 90 90 90 I4/mmm
atom    x  y     z  occ
Bi1    .5 .5 .2025  .75
Ba1    .5 .5 .2145  .25
Ba2     0  0 .1180
La1     0  0     0
Cu1    .5 .5 .0565
O1     .5  0 .0509
O2   .173  0 .2036 .231
O3     .5 .5 .1344
O4     .5  0  .278 .099
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Ba2 Cu2 Hg1.88 O10 Pr2
 
Huve M, Martin C, Maignan A, Michel C, Van Tendeloo G, Hervieu M, Raveau B
 
Journal of Solid State Chemistry 114 (1995) 230-235
A new cuprate with mercury bilayers: the "2222" oxide
Hg2-xMxBa2Pr2Cu2O10-d (M=Cu,Pr)
_cod_database_code 1001639
_database_code_amcsd 0013835
3.9072 3.9072 17.21919 90 90 90 *P4/nmm
.25 -.25 0
atom   x   y     z occ
Hg1  .75 .75 .4377 .94
Cu1  .75 .75 .1743
Ba1  .25 .25 .2916
Pr1  .25 .25 .0762
O1   .25 .75     0
O2   .75 .25  .175
O3   .75 .75  .312
O4   .25 .25  .448
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Ba2 Cu2 Eu3 Mn2 O12
 
Hervieu M, Michel C, Genouel R, Maignan A, Raveau B
 
Journal of Solid State Chemistry 115 (1995) 1-6
The layered manganocuprate Eu3 Ba2 Mn2 Cu2 O12 : an intergrowth between
the "123" and "0201" structures
_cod_database_code 1001645
_database_code_amcsd 0013840
3.8826 3.8826 35.26599 90 90 90 I4/mmm
atom  x y     z
Eu1   0 0    .5
Eu2   0 0 .7127
Ba1   0 0 .6049
Cu1   0 0 .0470
Mn1   0 0 .1664
O1   .5 0 .0409
O2    0 0 .1144
O3   .5 0 .1732
O4    0 0  .220
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Cu6 Fe2 La4.4 O20 Sr3.6
 
Genouel R, Michel C, Nguyen N, Hervieu M, Raveau B
 
Journal of Solid State Chemistry 115 (1995) 469-475
Ordered substitution of iron for copper in the tetragonal perovskite
La6.4 Sr1.6 Cu8 O20
_cod_database_code 1001647
_database_code_amcsd 0013851
10.7807 10.7807 3.8987 90 90 90 P4/mbm
atom     x     y  z occ
La1  .2567 .4723 .5 .55
Sr1  .2567 .4723 .5 .45
Fe1      0     0  0
Cu2     .5     0  0
Cu3  .2244 .7244  0
O1       0     0 .5
O2      .5     0 .5
O3    .211  .711 .5
O4    .383  .883  0
O5    .153  .094  0
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Cu2 Hg0.3 O9 Pr2 Sr2 Tl0.7
 
Hervieu M, Van Tendeloo G, Michel C, Martin C, Maignan A, Raveau B
 
Journal of Solid State Chemistry 115 (1995) 525-531
Synthesis and characterization of mercury-based "1222" cuprates
(Hg1-xMx) (Sr,Ba)2 Pr2 Cu2 O9-d
_cod_database_code 1001650
_database_code_amcsd 0013858
3.8642 3.8642 29.56799 90 90 90 I4/mmm
atom x  y     z occ
Hg1  0  0     0  .3
Tl1  0  0     0  .7
Sr1  0  0 .5847
Pr1  0  0 .7055
Cu1  0  0 .1480
O1   0  0  .068
O2   0 .5 .1482
O3   0 .5   .25
O4   0  0    .5
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HgBiSr7Cu2SbO15
 
Pelloquin D, Hervieu M, Michel C, Caldes M, Raveau B
 
Journal of Solid State Chemistry 116 (1995) 53-60
Double cationic ordering in the "1201" substituted type cuprate
HgBiSr7Cu2SbO15
_cod_database_code 1001654
_database_code_amcsd 0013860
7.6799 11.5549 8.8795 90 90 90 Pmam
atom   x    y     z occ
Sr1  .25 .163     0
Bi1  .25   .5     0  .5
Hg1  .25   .5     0  .5
Bi2  .75 .170     0  .5
Hg2  .75 .170     0  .5
Sr2    0    0 .2903
Sr3    0 .343 .2903
Sb1  .25 .182    .5
Cu1  .25   .5    .5
Cu2  .75 .167    .5
O1     0    0     0
O2     0 .334     0
O3   .75 .164  .232
O4   .25 .105  .294
O5   .25   .5  .232
O6   .25    0    .5
O7     0 .167    .5
O8     0   .5    .5
O9   .25 .340    .5
O10  .75 .333    .5
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Ce0.5 Cu1.1 Hg0.4 La0.6 O5 Sr1.4
 
Maignan A, Martin C, Michel C, Hervieu M, Raveau B
 
Journal of Solid State Chemistry 116 (1995) 347-354
A new "1201" mercury-based cuprate with Hg Ce mixed layers: the oxide
Hg0.4 Ce0.5 Cu0.1 Sr2-x Lax Cu O4+d
_cod_database_code 1001652
_database_code_amcsd 0013864
3.7352 7.5749 17.9657 90 90 90 Ammm
atom  x    y     z occ
Hg1   0    0     0  .8
Cu1   0    0     0  .2
Ce1   0   .5     0
La1  .5  .25 .1477  .3
Sr1  .5  .25 .1477  .7
Cu2   0    0   .25
O1    0    0 .1124
O2    0    0 .6124
O3   .5    0   .25
O4    0  .25   .25
O5   .5 .340     0
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Bi1.77 Ca0.2 Fe2 O10 Sr3.8
 
Hervieu M, Pelloquin D, Michel C, Caldes M, Raveau B
 
Journal of Solid State Chemistry 118 (1995) 227-240
The ferrites Bi(n+1) Sr2(n+2) Ba(n-1) Fe(n+1) O6(n+4): a series of
intergrowths of the 2201 and 0201 structures
_cod_database_code 1001693
_database_code_amcsd 0013872
5.414 5.414 18.52399 90 90 90 Cm2a
atom    x    y     z  occ
Bi1   .25    0 .4185 .885
Sr1   .25 .535 .2652 .900
Ca1   .25 .535 .2652 .100
Sr2   .25   .5 .0697
Fe1   .25    0 .1606
O1    .25    0  .060
O2      0  .25 .1615
O3    .25    0  .297
O4   .381 .631  .392   .5
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Ba Bi3 Fe3 O16 Sr6
 
Hervieu M, Pelloquin D, Michel C, Caldes M, Raveau B
 
Journal of Solid State Chemistry 118 (1995) 227-240
The ferrites Bi(n+1) Sr2(n+2) Ba(n-1) Fe(n+1) O6(n+4): a series of
intergrowths of the 2201 and 0201 structures
_cod_database_code 1001694
_database_code_amcsd 0013873
3.837 3.837 61.15999 90 90 90 I4/mmm
atom x  y     z occ
Bi1  0  0 .5746 .75
Ba1  0  0 .5746 .25
Bi2  0  0 .1219 .75
Ba2  0  0 .1219 .25
Sr1  0  0 .0305
Sr2  0  0 .6666
Sr3  0  0 .7271
Fe1  0  0    .5
Fe2  0  0 .1975
O1   0 .5     0
O2   0  0 .5374
O3   0  0 .0746
O4   0  0 .6219
O5   0  0 .1588
O6   0 .5 .1975
O7   0  0 .2311
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Ca0.2 Cr0.15 Cu2.85 O8 Pb1.75 Sr2 Y
 
Seshadri R, Maignan A, Hervieu M, Martin C, Raveau B, Rao C
 
Journal of Solid State Chemistry 127 (1996) 64-71
Substitution of chromium for univalent copper in superconducting
Pb2Sr2(Ca,Y)Cu3O8+d
_cod_database_code 1001749
_database_code_amcsd 0013903
5.3860 5.4195 15.720 90 90 90 Cmmm
atom   x   y     z  occ
Pb1    0  .5 .3870 .875
Ca1    0  .5 .3870   .1
Sr1    0   0 .2208
Y1     0   0     0
Cu1    0   0    .5  .85
Cr1    0   0    .5  .15
Cu2    0  .5 .1084
O1     0  .5 .2625
O2     0   0  .385
O3   .25 .25 .1007
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Ca3.8 Cl3.84 Cu3 Gd2.2 O8.16
 
Pelloquin D, Sundaresan A, Hervieu M, Michel C, Raveau B
 
Journal of Solid State Chemistry 127 (1996) 315-324
New copper oxychlorides Ca4 Ln2 Cu3 O8 Cl4, first members of the
intergrowth series (Ca2 Cu O2 Cl2)m (Ln2 Ca2 Cu2 O6 Cl2)n (Ln = Gd,Sm)
_cod_database_code 1001747
_database_code_amcsd 0013912
3.8865 3.8865 41.827 90 90 90 I4/mmm
atom x  y     z occ
Ca1  0  0 .4611 .90
Gd1  0  0 .4611 .10
Ca2  0  0 .1428
Gd2  0  0 .2219
Cu1  0  0     0
Cu2  0  0 .3221
O1   0 .5     0
O2   0 .5  .319
O3   0 .5   .25
Cl1  0  0 .0644
Cl2  0  0 .3824 .92
O4   0  0 .3824 .08
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Ba3 Cu3 O19 Sr5 Tl5
 
Letouze F, Martin C, Hervieu M, Michel C, Maignan A, Raveau B
 
Journal of Solid State Chemistry 128 (1997) 150-155
A new structure related to the layered cuprates: the "1201" shear-like
phase Tl5Ba3Sr5Cu3O19, third member of the series (TlA2CuO5)m . (Tl2A2O4)
_cod_database_code 1001803
_database_code_amcsd 0013914
3.7536 30.631 9.219 90 90 90 A2mm
atom  x     y     z  occ
Tl1   0     0    .5
Tl2   0 .1128    .5
Tl3   0 .2397    .5
Ba1  .5 .0615 .2011 .275
Sr1  .5 .0615 .2011 .725
Ba2  .5 .1844 .2152 .475
Sr2  .5 .1844 .2152 .525
Cu1   0     0     0
Cu2   0 .1212     0
O1   .5     0     0
O2   .5 .1212     0
O3    0     0  .263
O4    0 .1212  .263
O5    0 .0606     0
O6   .5  .056    .5
O7   .5  .176    .5
O8    0   .25   .25
O9    0  .186     0
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Ba6Mn24O48
 
Boullay P, Hervieu M, Raveau B
 
Journal of Solid State Chemistry 132 (1997) 239-248
A new manganite with an original composite tunnel structure: Ba6Mn24O48
_cod_database_code 1001810
_database_code_amcsd 0013934
18.17299 18.17299 2.836 90 90 90 I4/m
atom    x     y  z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba1     0     0 .5 .71    .01    .01    .25      0      0      0
Ba2  .316  .170 .5 .61    .03    .03    .29   -.07      0      0
Mn1  .215 -.005  0
Mn2  .370 -.006 .5
Mn3  .373  .347  0
O1   .313  .040  0
O2   .115  .934  0
O3   .588  .062  0
O4   .193  .183  0
O5   .440  .244  0
O6   .561  .319  0
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Bi1.5 Ca1.47 Mn2 O9 Pb0.5 Sr1.53
 
Hervieu M, Michel C, Pelloquin D, Maignan A, Raveau B
 
Journal of Solid State Chemistry 132 (1997) 420-431
A bismuth manganite with the "2212" structure: Bi2-xPbxSr1.5Ca1.5Mn2O9-d
_cod_database_code 1001814
_database_code_amcsd 0013939
5.3594 5.3443 30.976 90 90 90 Abmm
atom    x   y     z occ
Bi1  .761   0 .0493 .75
Pb1  .761   0 .0493 .25
Sr1   .75  .5 .1296 .35
Ca1   .75  .5 .1296 .65
Sr2   .75  .5   .25 .83
Ca2   .75  .5   .25 .17
Mn1  .761   0 .1873
O1   .871  .5 .0493
O2    .75   0  .119
O3     .5 .25 .1803
O4      0 .25 .1803
O5    .75   0   .25
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B0.8 Mn3.2 O10 Sr4
 
Pelloquin D, Hervieu M, Michel C, Nguyen N, Raveau B
 
Journal of Solid State Chemistry 134 (1997) 395-408
A new manganese oxyborate, Sr4 Mn3 (B1-x Mnx) O10, closely related to
the perovskite structure type
_cod_database_code 1001822
_database_code_amcsd 0013946
3.7865 15.8540 7.6540 90 90 90 Amm2
atom  x     y      z occ
Mn1   0     0  .0078
Mn2   0   .25      0
B1    0     0     .5  .8
Mn3   0     0     .5  .2
Sr1  .5 .3665  .2538
Sr2  .5 .1263  .2284
O1   .5     0      0
O2    0 .1211      0
O3   .5 .2669      0
O4    0   .25    .25
O5    0     0  .3159
O6    0 .4243 -.0882
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Nb27.2 O72 Tl8
 
Dupont L, Hervieu M, Pelloquin D, Nowogrocki G, Touboul M
 
Journal of Solid State Chemistry 135 (1998) 282-292
Synthesis and crystal structure determination of Tl8 Nb27.2 O72 using
TEM and single-crystal x-ray diffraction
_cod_database_code 1004150
_database_code_amcsd 0013947
7.534 12.992 15.555 90 90 90 Im2m
atom     x      y     z  occ
Nb1      0     .5 .1221
Nb2      0  .4920 .3720
Nb3  .2538  .2408 .1288
Nb4  .2395  .7375 .1219
Nb5      0   .654    .5 .475
Nb6      0  .3285     0 .625
Nb7      0  .3254    .5   .5
O1       0   .768  .104
O2       0   .448  .246
O3    .187   .596  .141
O4       0   .503     0
O5       0   .771  .395
O6      .5   .010     0
O7    .202   .205     0
O8       0   .205  .148
O9       0   .204  .354
O10   .180   .381  .106
O11   .180   .381  .607
O12   .184   .595  .640
O13   .297   .705     0
O14   .215   .764  .252
Tl1   .074  -.007  .010  .06
Tl2   .029  -.040  .010  .08
Tl3   .028  .0302  .009  .11
Tl4   .067  -.013  .514  .06
Tl5   .024 -.0412  .508  .14
Tl6   .037   .026  .515  .05
Tl7   .034  -.036  .227  .05
Tl8   .020  -.018  .266  .09
Tl9  -.037  .0110 .2516  .36
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Ge4 K10 Nb22 O68
 
Choisnet J, Hervieu M, Groult D, Raveau B
 
Materials Research Bulletin 12 (1977) 621-627
Nouvelles phases multiples obtenues par intercroissance des reseaux
"M6X4O26" et "M8O21": les oxydes K10(M8O21)2*M6X4O26 (M=Nb,Ta)(X=Ge,Si)
_cod_database_code 1001276
_database_code_amcsd 0014256
9.112 9.112 20.01 90 90 120 P-62m
atom    x    y    z  occ
K1   .344    0    0 .833
K2   .598    0 .297 .833
K3   .547    0   .5 .833
Nb1  .744    0 .090
Nb2  .251    0 .215
Nb3  .234    0 .403
Nb4   1/3  2/3 .149
Ge1   1/3  2/3 .410
O1    .79    0    0
O2   .179    0 .106
O3   .822 .509 .092
O4   .182 .502 .209
O5   .795    0 .193
O6   .202    0 .310
O7   .206 .483 .367
O8   .252    0   .5
O9   .799    0 .412
O10   1/3  2/3   .5
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Ba0.45 Na1.7 O13 Ti5.85
 
Hervieu M, Germain P, Desgardin G, Raveau B
 
Materials Research Bulletin 14 (1979) 267-272
Non-stoichiometric titanates (A2-2x)(Ba3x)(Ti6-x)O13 with a
tunnel structure
_cod_database_code 1001285
_database_code_amcsd 0014270
15.183 3.783 9.143 90 98.7 90 C2/m
atom    x    y    z  occ
Na1  .453 .058 .242 .015
Ba1  .453 .058 .242 .008
Na2  .558    0 .483  .82
Ba2  .558    0 .483  .21
Ti1  .119    0 .097 .975
Ti2   .17    0 .439 .975
Ti3  .228    0 .771 .975
O1      0    0    0
O2   .238    0 .251
O3   .076    0 .266
O4   .292    0 .571
O5    .13    0 .604
O6   .361    0 .898
O7    .17    0 .919
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Total number of retrieved datasets: 164
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Number of datasets in this page:100


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