American Mineralogist Crystal Structure Database

60 matching records for this search.

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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ca0.2 Mn O3 Pr0.7 Sr0.1
 
Caignaert V, Suard E, Maignan A, Simon C, Raveau B
 
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 321 (1995) 515-520
Variation of the Jahn Teller distortion of Mn at the ferromagnetic
transition in the CMR perovskite Pr0.7 Ca0.2 Sr0.1 Mn O3
_cod_database_code 1001704
_database_code_amcsd 0012314
5.4364 5.4462 7.6755 90 90 90 Pbnm
atom     x     y     z occ
Pr1  .0056 .0306   .25  .7
Ca1  .0056 .0306   .25  .2
Sr1  .0056 .0306   .25  .1
Mn1     .5     0     0
O1   .0681 .4889   .25
O2   .7172 .2838 .0351
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ca0.2 Mn O3 Pr0.7 Sr0.1
 
Caignaert V, Suard E, Maignan A, Simon C, Raveau B
 
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 321 (1995) 515-520
Variation of the Jahn Teller distortion of Mn at the ferromagnetic
transition in the CMR perovskite Pr0.7 Ca0.2 Sr0.1 Mn O3
_cod_database_code 1001705
_database_code_amcsd 0012315
5.4363 5.4462 7.6768 90 90 90 Pbnm
atom     x     y     z occ
Pr1  .0056 .0306   .25  .7
Ca1  .0056 .0306   .25  .2
Sr1  .0056 .0306   .25  .1
Mn1     .5     0     0
O1   .0677 .4890   .25
O2   .7171 .2841 .0351
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ca0.2 Mn O3 Pr0.7 Sr0.1
 
Caignaert V, Suard E, Maignan A, Simon C, Raveau B
 
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 321 (1995) 515-520
Variation of the Jahn Teller distortion of Mn at the ferromagnetic
transition in the CMR perovskite Pr0.7 Ca0.2 Sr0.1 Mn O3
_cod_database_code 1001706
_database_code_amcsd 0012316
5.4369 5.4467 7.6799 90 90 90 Pbnm
atom     x     y     z occ
Pr1  .0057 .0304   .25  .7
Ca1  .0057 .0304   .25  .2
Sr1  .0057 .0304   .25  .1
Mn1     .5     0     0
O1   .0677 .4888   .25
O2   .7170 .2843 .0351
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ca0.2 Mn O3 Pr0.7 Sr0.1
 
Caignaert V, Suard E, Maignan A, Simon C, Raveau B
 
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 321 (1995) 515-520
Variation of the Jahn Teller distortion of Mn at the ferromagnetic
transition in the CMR perovskite Pr0.7 Ca0.2 Sr0.1 Mn O3
_cod_database_code 1001707
_database_code_amcsd 0012317
5.4390 5.4521 7.6839 90 90 90 Pbnm
atom     x     y     z occ
Pr1  .0053 .0309   .25  .7
Ca1  .0053 .0309   .25  .2
Sr1  .0053 .0309   .25  .1
Mn1     .5     0     0
O1   .0678 .4882   .25
O2   .7171 .2856 .0362
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ca0.2 Mn O3 Pr0.7 Sr0.1
 
Caignaert V, Suard E, Maignan A, Simon C, Raveau B
 
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 321 (1995) 515-520
Variation of the Jahn Teller distortion of Mn at the ferromagnetic
transition in the CMR perovskite Pr0.7 Ca0.2 Sr0.1 Mn O3
_cod_database_code 1001708
_database_code_amcsd 0012318
5.4356 5.4549 7.6936 90 90 90 Pbnm
atom     x     y     z occ
Pr1  .0060 .0290   .25  .7
Ca1  .0060 .0290   .25  .2
Sr1  .0060 .0290   .25  .1
Mn1     .5     0     0
O1   .0668 .4885   .25
O2   .7171 .2846 .0359
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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 (permalink)
 
Bi8 La10 O27
 
Michel C, Caignaert V, Raveau B
 
Journal of Solid State Chemistry 90 (1991) 296-301
An oxygen deficient fluorite with a tunnel structure: Bi8La10O27
_cod_database_code 1001470
_database_code_amcsd 0013696
12.079 16.348 4.0988 90 90 90 Immm
atom     x     y  z  occ
Bi1  .3158     0  0
Bi2      0 .3394  0
La1  .3492 .3203  0
La2      0     0  0
O1       0  .063 .5
O2       0  .241 .5
O3    .228  .073  0
O4    .161  .260  0
O5    .154  .439  0 .375
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Bi8 La10 O27
 
Michel C, Caignaert V, Raveau B
 
Journal of Solid State Chemistry 90 (1991) 296-301
An oxygen deficient fluorite with a tunnel structure: Bi8La10O27
_cod_database_code 1001471
_database_code_amcsd 0013697
12.079 16.348 4.0988 90 90 90 Immm
atom     x     y  z  occ
Bi1  .3110     0  0
Bi2      0 .3316  0
La1  .3430 .3225  0
La2      0     0  0
O1       0 .0916 .5
O2       0 .2776 .5
O3   .1878 .0864  0
O4   .1541 .2647  0
O5   .1672 .4446  0 .375
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Cu Nd O3.56 Sr
 
Labbe P, Ledesert M, Caignaert V, Raveau B
 
Journal of Solid State Chemistry 91 (1991) 362-369
Structural peculiarities of two layered cuprates, NdSrCuO3.5 and
Nd1.8Sr1.2Cu2O6-delta
_cod_database_code 1001479
_database_code_amcsd 0013710
3.7431 3.7431 12.839 90 90 90 I4/mmm
atom x  y      z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Nd1  0  0 .35812  .5  .0163  .0163  .0129      0      0      0
Sr1  0  0 .35812  .5  .0163  .0163  .0129      0      0      0
Cu1  0  0      0      .0112  .0112  .0086      0      0      0
O1   0 .5      0 .86    .06   .007   .032      0      0      0
O2   0  0   .172 .92   .037   .037   .035      0      0      0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Cu2 Nd1.79 O6 Sr1.21
 
Labbe P, Ledesert M, Caignaert V, Raveau B
 
Journal of Solid State Chemistry 91 (1991) 362-369
Structural peculiarities of two layered cuprates, NdSrCuO3.5 and
Nd1.8Sr1.2Cu2O6-delta
_cod_database_code 1001480
_database_code_amcsd 0013711
3.8365 3.8365 19.652 90 90 90 I4/mmm
atom x  y      z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Nd1  0  0      0 .75  .0068  .0068  .0040      0      0      0
Sr1  0  0      0 .25  .0068  .0068  .0040      0      0      0
Nd2  0  0 .18025 .52  .0144  .0144  .0091      0      0      0
Sr2  0  0 .18025 .48  .0144  .0144  .0091      0      0      0
Cu1  0  0  .5916      .0060  .0060   .011      0      0      0
O1   0 .5  .0817
O2   0  0   .701
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Fe2 O9 Pb1.01 Sr4
 
Caignaert V, Daniel P, Nguyen N, Ducouret A, Groult D, Raveau B
 
Journal of Solid State Chemistry 112 (1994) 126-131
Structure refinement of the 0201-1201 intergrowth-type ferrite PbSr4Fe2O9:
powder neutron diffraction and Mossbauer spectroscopy studies
_cod_database_code 1001606
_database_code_amcsd 0013824
3.84845 3.84845 30.68379 90 90 90 I4/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   .62
Pb2  .140  0     0 .0975
Sr1    .5 .5 .0855
Sr2    .5 .5 .2050
Fe1     0  0 .1512
O1   .141  0    .5   .25
O2      0  0 .0642        .0348  .0348  .0501      0      0      0
O3     .5  0 .1419
O4      0  0 .2145
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ba Co1.6 Cu0.4 O5 Y
 
Barbey L, Nguyen N, Caignaert V, Studer F, Raveau B
 
Journal of Solid State Chemistry 112 (1994) 148-156
Spin state and variation of the spin orientation of Co(III) in the 112-
type phase YBa(Co2-xCux)O5
_cod_database_code 1001607
_database_code_amcsd 0013825
3.8724 3.8724 7.4953 90 90 90 P4/mmm
atom  x  y     z occ
Y1    0  0    .5
Ba1   0  0     0
Cu1  .5 .5 .2678  .2
Co1  .5 .5 .2678  .8
O1   .5  0 .3088
O2   .5 .5     0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ba Co1.2 Cu0.8 O5 Y
 
Barbey L, Nguyen N, Caignaert V, Studer F, Raveau B
 
Journal of Solid State Chemistry 112 (1994) 148-156
Spin state and variation of the spin orientation of Co(III) in the 112-
type phase YBa(Co2-xCux)O5
_cod_database_code 1001608
_database_code_amcsd 0013826
3.8675 3.8675 7.5238 90 90 90 P4/mmm
atom  x  y     z occ
Y1    0  0    .5
Ba1   0  0     0
Cu1  .5 .5 .2720  .4
Co1  .5 .5 .2720  .6
O1   .5  0 .3128
O2   .5 .5     0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ba Co1.1 Cu0.9 O5 Y
 
Barbey L, Nguyen N, Caignaert V, Studer F, Raveau B
 
Journal of Solid State Chemistry 112 (1994) 148-156
Spin state and variation of the spin orientation of Co(III) in the 112-
type phase YBa(Co2-xCux)O5
_cod_database_code 1001609
_database_code_amcsd 0013827
3.8666 3.8666 7.5266 90 90 90 P4/mmm
atom  x  y     z occ
Y1    0  0    .5
Ba1   0  0     0
Cu1  .5 .5 .2734 .45
Co1  .5 .5 .2734 .55
O1   .5  0 .3130
O2   .5 .5     0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ba Cu Fe O5 Y
 
Caignaert V, Mirebeau I, Bouree F, Nguyen N, Ducouret A, Greneche J, Raveau B
 
Journal of Solid State Chemistry 114 (1995) 24-35
Crystal and magnetic structure of Y Ba Cu Fe O5
_cod_database_code 1001640
_database_code_amcsd 0013833
3.8751 3.8751 7.6790 90 90 90 P4/mmm
atom  x  y     z occ
Y1    0  0    .5
Ba1   0  0     0
Cu1  .5 .5 .2854  .5
Fe1  .5 .5 .2525  .5
O1   .5 .5     0
O2   .5  0 .3156
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ba Co Cu0.5 Fe0.5 O5 Y
 
Barbey L, Nguyen N, Ducouret A, Caignaert V, Greneche J, Raveau B
 
Journal of Solid State Chemistry 115 (1995) 514-520
Magnetic behaviour of the "112" type substituted cuprate YBaCoCu1-xFexO5
_cod_database_code 1001648
_database_code_amcsd 0013856
3.8785 3.8785 7.5441 90 90 90 P4/mmm
atom  x  y     z occ
Y1    0  0    .5
Ba1   0  0     0
Co1  .5 .5 .2652  .5
Cu1  .5 .5 .2652 .25
Fe1  .5 .5 .2652 .25
O1   .5  0 .3123
O2   .5 .5     0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Mn Nd0.7 O3 Sr0.3
 
Millange F, Caignaert V, Mather G, Suard E, Raveau B
 
Journal of Solid State Chemistry 127 (1996) 131-135
Low temperature orthorhombic to monoclinic transition due to size
effect in Nd0.7Ca0.3-xSrxMnO3: evidence for a new type of charge ordering
_cod_database_code 1001734
_database_code_amcsd 0013904
5.4599 7.7110 5.4660 90 90 90 Pnma
atom     x     y      z occ
Nd1  .0249   .25 -.0048  .7
Sr1  .0249   .25 -.0048  .3
Mn1      0     0     .5
O1   .4904   .25  .0656
O2   .2803 .0332  .7216
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ca0.22 Mn Nd0.7 O3 Sr0.08
 
Millange F, Caignaert V, Mather G, Suard E, Raveau B
 
Journal of Solid State Chemistry 127 (1996) 131-135
Low temperature orthorhombic to monoclinic transition due to size
effect in Nd0.7Ca0.3-xSrxMnO3: evidence for a new type of charge ordering
_cod_database_code 1001735
_database_code_amcsd 0013905
5.4708 7.6708 5.4254 90 90 90 Pnma
atom     x     y      z occ
Nd1  .0348   .25 -.0061  .7
Sr1  .0348   .25 -.0061 .08
Ca1  .0348   .25 -.0061 .22
Mn1      0     0     .5
O1   .4864   .25  .0729
O2   .2882 .0378  .7153
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ca0.3 Mn Nd0.7 O3
 
Millange F, Caignaert V, Mather G, Suard E, Raveau B
 
Journal of Solid State Chemistry 127 (1996) 131-135
Low temperature orthorhombic to monoclinic transition due to size
effect in Nd0.7Ca0.3-xSrxMnO3: evidence for a new type of charge ordering
_cod_database_code 1001736
_database_code_amcsd 0013906
5.4820 7.6475 5.4096 90 90 90 Pnma
atom     x     y      z occ
Nd1  .0400   .25 -.0077  .7
Ca1  .0400   .25 -.0077  .3
Mn1      0     0     .5
O1   .4837   .25  .0752
O2   .2917 .0393  .7125
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Mn Nd0.7 O3 Sr0.3
 
Millange F, Caignaert V, Mather G, Suard E, Raveau B
 
Journal of Solid State Chemistry 127 (1996) 131-135
Low temperature orthorhombic to monoclinic transition due to size
effect in Nd0.7Ca0.3-xSrxMnO3: evidence for a new type of charge ordering
_cod_database_code 1001737
_database_code_amcsd 0013907
5.4494 7.6964 5.4547 90 90 90 Pnma
atom     x     y      z occ
Nd1  .0259   .25 -.0052  .7
Sr1  .0259   .25 -.0052  .3
Mn1      0     0     .5
O1   .4908   .25  .0655
O2   .2808 .0332  .7215
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ca0.22 Mn Nd0.7 O3 Sr0.08
 
Millange F, Caignaert V, Mather G, Suard E, Raveau B
 
Journal of Solid State Chemistry 127 (1996) 131-135
Low temperature orthorhombic to monoclinic transition due to size
effect in Nd0.7Ca0.3-xSrxMnO3: evidence for a new type of charge ordering
_cod_database_code 1001738
_database_code_amcsd 0013908
5.4734 7.6583 5.4139 90 90 90 Pnma
atom     x     y      z occ
Nd1  .0382   .25 -.0070  .7
Sr1  .0382   .25 -.0070 .08
Ca1  .0382   .25 -.0070 .22
Mn1      0     0     .5
O1   .4856   .25  .0729
O2   .2909 .0377  .7150
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ca0.3 Mn Nd0.7 O3
 
Millange F, Caignaert V, Mather G, Suard E, Raveau B
 
Journal of Solid State Chemistry 127 (1996) 131-135
Low temperature orthorhombic to monoclinic transition due to size
effect in Nd0.7Ca0.3-xSrxMnO3: evidence for a new type of charge ordering
_cod_database_code 1001739
_database_code_amcsd 0013909
5.4881 7.6337 5.3968 90 90.2 90 P2_1/m
atom     x     y      z occ
Nd1  .0421   .25 -.0084  .7
Ca1  .0421   .25 -.0084  .3
Nd2  .5441   .25  .5067  .7
Ca2  .5441   .25  .5067  .3
Mn1      0     0     .5
Mn2     .5     0      0
O1   .4837   .25  .0756
O2   .9839   .25  .4240
O3   .2918 .0412  .7091
O4   .7967  .038  .7820
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Mn2 O5 Sr2
 
Caignaert V, Nguyen N, Hervieu M, Raveau B
 
Materials Research Bulletin 20 (1985) 479-484
Sr2Mn2O5, an oxygen-defect perovskite with Mn(III) in square
pyramidal coordination
_cod_database_code 1001352
_database_code_amcsd 0014316
5.523 10.761 3.811 90 90 90 Pbam
atom     x     y  z
Mn1  .2583 .1236  0
O1   .2790 .0912 .5
O2   .5530 .2259  0
O3       0     0  0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ba Ni O5 Y2
 
Benloucif R, Nguyen N, Caignaert V, Raveau B
 
Materials Research Bulletin 26 (1991) 213-218
The solid solution Nd2-xYxBaNiO5, a progressive transition from a
tridimensional to an unidimensional anti-ferromagnetic state
_cod_database_code 1001501
_database_code_amcsd 0014357
3.760 5.762 11.339 90 90 90 Immm
atom  x     y     z
Y1   .5     0 .7022
Ba1   0     0     0
Ni1  .5    .5     0
O1    0 .7599 .3504
O2   .5     0    .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ba Co Cu O4.96 Y
 
Barbey L, Nguyen N, Caignaert V, Hervieu M, Raveau B
 
Materials Research Bulletin 27 (1992) 295-301
Mixed oxides of cobalt and copper with a double pyramidal layer structure
_cod_database_code 1001549
_database_code_amcsd 0014364
3.8688 3.8688 7.5726 90 90 90 P4/mmm
atom  x  y     z occ
Y1    0  0    .5
Ba1   0  0     0
Co1  .5 .5 .2649  .5
Cu1  .5 .5 .2649  .5
O1   .5  0 .3137
O2   .5 .5     0 .96
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Fe2 O8 Pb0.5 Sr3 Tl0.5
 
Nguyen N, Groult D, Caignaert V, Ducouret A, Raveau B
 
Physica B 228 (1996) 251-260
Neutron diffraction and Mossbauer spectroscopy studies of the mixed
valent Tl-1212 ferrite (Tl0.5 Pb0.5) Sr3 Fe2 O8
_cod_database_code 1001757
_database_code_amcsd 0015006
3.81474 3.81474 12.8293 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)
Tl1  .0763  0     0 .125
Pb1      0  0     0   .5
Sr1     .5 .5    .5
Sr2     .5 .5 .2004
Fe1      0  0 .3500
O1   .3860 .5     0  .25
O2       0  0 .1559        .016   .016   .024      0      0      0
O3       0  0    .5
O4       0 .5 .3356
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Fe2 O8 Pb0.5 Sr3 Tl0.5
 
Nguyen N, Groult D, Caignaert V, Ducouret A, Raveau B
 
Physica B 228 (1996) 251-260
Neutron diffraction and Mossbauer spectroscopy studies of the mixed
valent Tl-1212 ferrite (Tl0.5 Pb0.5) Sr3 Fe2 O8
_cod_database_code 1001758
_database_code_amcsd 0015007
3.81002 3.81002 12.7964 90 90 90 P4/mmm
atom     x  y     z  occ
Tl1  .0780  0     0 .125
Pb1      0  0     0   .5
Sr1     .5 .5    .5
Sr2     .5 .5 .2009
Fe1      0  0 .3500
O1   .3806 .5     0  .25
O2       0  0 .1629 .480
O3       0  0 .1507 .520
O4       0  0    .5
O5       0 .5 .3359
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
YBa2(Cu.95Fe.05)3O7
 
Roth G, Heger G, Renker B, Pannetier J, Caignaert V, Hervieu M, Raveau B
 
Physica C 153 (1988) 972-973
Crystallographic study of the tetragonal high-Tc superconductor
YBa2(Cu.95Fe.05)3O7
_cod_database_code 1001377
_database_code_amcsd 0015010
3.863 3.863 11.626 90 90 90 P4/mmm
atom  x  y     z occ
Y1   .5 .5    .5
Ba1  .5 .5 .1861
Cu1   0  0     0 .98
Cu2   0  0 .3574
O1    0 .5     0 .50
O2   .5  0 .3782
O3    0  0 .1573 .96
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ba2 Cu2.98 O6.96 Y
 
Roth G, Heger G, Renker B, Pannetier J, Caignaert V, Hervieu M, Raveau B
 
Physica C 153 (1988) 972-973
Crystallographic study of the tetragonal high-Tc superconductor
YBa2(Cu.95Fe.05)3O7
_cod_database_code 1001378
_database_code_amcsd 0015011
3.858 3.858 11.585 90 90 90 P4/mmm
atom  x  y     z  occ
Y1   .5 .5    .5
Ba1  .5 .5 .1853
Cu1   0  0     0 .978
Cu2   0  0 .3568
O1    0 .5     0  .50
O2   .5  0 .3779
O3    0  0 .1580  .98
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ba2 Cu2.93 O7 Y
 
Roth G, Heger G, Renker B, Pannetier J, Caignaert V, Hervieu M, Raveau B
 
Physica C 153 (1988) 972-973
Crystallographic study of the tetragonal high-Tc superconductor
YBa2(Cu.95Fe.05)3O7
_cod_database_code 1001379
_database_code_amcsd 0015012
3.862 3.862 11.673 90 90 90 P4/mmm
atom  x  y     z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Y1   .5 .5    .5       .0057  .0057  .0081      0      0      0
Ba1  .5 .5 .1855       .0109  .0109  .0102      0      0      0
Cu1   0  0     0 .941  .0101  .0101  .0064      0      0      0
Cu2   0  0 .3565 .996  .0054  .0054  .0109      0      0      0
O1    0 .5     0 .484   .037   .013   .014      0      0      0
O2   .5  0 .3781       .0028   .009  .0135      0      0      0
O3    0  0 .1589       .0209  .0209  .0100      0      0      0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Cu2 Nd O5.76 Sr2
 
Caignaert V, Retoux R, Michel C, Hervieu M, Raveau B
 
Physica C 167 (1990) 483-490
Neutron diffraction study of the layered cuprate Sr2-xNd1+xCu2O6-y
_cod_database_code 1001459
_database_code_amcsd 0015019
3.7701 11.4381 20.0938 90 90 90 Immm
atom    x     y     z occ
Nd1     0     0     0
Sr1     0 .3018     0 .63
Nd2     0 .3018     0 .37
Sr2     0     0 .1954 .37
Nd3     0     0 .1954 .63
Sr3     0 .3248 .1770
Cu1     0     0 .5879
Cu2     0 .3517 .6005
O1      0 .1601 .4156
O2      0 .1362 .0969
O3     .5     0 .4227 .29
O4      0     0 .6860
O5      0 .3485 .7008
O6      0 .3690    .5
O7   .284     0    .5 .35
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ba2 Ca0.8 Cu2 Nd0.2 O6.86 Tl0.96
 
Michel C, Suard E, Caignaert V, Martin C, Maignan A, Hervieu M, Raveau B
 
Physica C 178 (1991) 29-36
Neutron diffraction structure determination of the "1212"-series
TlBa2Ca1-xNdxCu2O7-d
_cod_database_code 1001484
_database_code_amcsd 0015022
3.85638 3.85638 12.6534 90 90 90 P4/mmm
atom     x  y     z  occ
Tl1  .0846  0     0 .240
Ba1     .5 .5 .2147
Ca1     .5 .5    .5   .8
Nd1     .5 .5    .5   .2
Cu1      0  0 .3717
O1       0 .5 .3779
O2       0  0 .1594
O3   .5524 .5     0 .215
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ba2 Ca0.5 Cu2 Nd0.5 O6.86 Tl0.95
 
Michel C, Suard E, Caignaert V, Martin C, Maignan A, Hervieu M, Raveau B
 
Physica C 178 (1991) 29-36
Neutron diffraction structure determination of the "1212"-series
TlBa2Ca1-xNdxCu2O7-d
_cod_database_code 1001485
_database_code_amcsd 0015023
3.87677 3.87677 12.6045 90 90 90 P4/mmm
atom     x  y     z  occ
Tl1  .0771  0     0 .237
Ba1     .5 .5 .2134
Ca1     .5 .5    .5   .5
Nd1     .5 .5    .5   .5
Cu1      0  0 .3696
O1       0 .5 .3780
O2       0  0 .1613
O3   .5712 .5     0 .215
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ba2 Cu2 Nd O6.96 Tl0.96
 
Michel C, Suard E, Caignaert V, Martin C, Maignan A, Hervieu M, Raveau B
 
Physica C 178 (1991) 29-36
Neutron diffraction structure determination of the "1212"-series
TlBa2Ca1-xNdxCu2O7-d
_cod_database_code 1001486
_database_code_amcsd 0015024
3.91021 3.91021 12.4916 90 90 90 P4/mmm
atom     x  y     z occ
Tl1  .0717  0     0 .24
Ba1     .5 .5 .2055
Nd1     .5 .5    .5
Cu1      0  0 .3633
O1       0 .5 .3785
O2       0  0 .1662
O3   .6199 .5     0 .24
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ba2 Ca0.09 Cu2.91 Fe0.09 O7.01 Y0.91
 
Suard E, Caignaert V, Maignan A, Raveau B
 
Physica C 182 (1991) 219-227
The important role of pyramidal copper layers of the 123-structure in
superconductivity. The oxides Ba2Y1-xCaxCu3-xFexO7 and
Ba2Y1-xCaxCu3-xFexO6
_cod_database_code 1001490
_database_code_amcsd 0015029
3.8602 3.8602 11.6646 90 90 90 P4/mmm
atom  x  y     z  occ
Y1   .5 .5    .5  .91
Ca1  .5 .5    .5  .09
Ba1  .5 .5 .1857
Cu1   0  0     0  .91
Fe1   0  0     0  .09
Cu2   0  0 .3566
O1    0 .5 .3771
O2    0  0 .1579
O3    0 .5     0 .505
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ba2 Ca0.12 Cu2.88 Fe0.12 O6.98 Y0.88
 
Suard E, Caignaert V, Maignan A, Raveau B
 
Physica C 182 (1991) 219-227
The important role of pyramidal copper layers of the 123-structure in
superconductivity. The oxides Ba2Y1-xCaxCu3-xFexO7 and
Ba2Y1-xCaxCu3-xFexO6
_cod_database_code 1001491
_database_code_amcsd 0015030
3.8604 3.8604 11.6725 90 90 90 P4/mmm
atom  x  y     z  occ
Y1   .5 .5    .5  .88
Ca1  .5 .5    .5  .12
Ba1  .5 .5 .1863
Cu1   0  0     0  .88
Fe1   0  0     0  .12
Cu2   0  0 .3571
O1    0 .5 .3770
O2    0  0 .1578
O3    0 .5     0 .490
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ba2 Ca0.15 Cu2.85 Fe0.15 O7.12 Y0.85
 
Suard E, Caignaert V, Maignan A, Raveau B
 
Physica C 182 (1991) 219-227
The important role of pyramidal copper layers of the 123-structure in
superconductivity. The oxides Ba2Y1-xCaxCu3-xFexO7 and
Ba2Y1-xCaxCu3-xFexO6
_cod_database_code 1001492
_database_code_amcsd 0015031
3.8608 3.8608 11.6653 90 90 90 P4/mmm
atom  x  y     z occ
Y1   .5 .5    .5 .85
Ca1  .5 .5    .5 .15
Ba1  .5 .5 .1873
Cu1   0  0     0 .85
Fe1   0  0     0 .15
Cu2   0  0 .3578
O1    0 .5 .3764
O2    0  0 .1553
O3    0 .5     0 .56
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ba2 Ca0.24 Cu2.76 Fe0.24 O7.04 Y0.76
 
Suard E, Caignaert V, Maignan A, Raveau B
 
Physica C 182 (1991) 219-227
The important role of pyramidal copper layers of the 123-structure in
superconductivity. The oxides Ba2Y1-xCaxCu3-xFexO7 and
Ba2Y1-xCaxCu3-xFexO6
_cod_database_code 1001493
_database_code_amcsd 0015032
3.8637 3.8637 11.6899 90 90 90 P4/mmm
atom  x  y     z  occ
Y1   .5 .5    .5  .76
Ca1  .5 .5    .5  .24
Ba1  .5 .5 .1892
Cu1   0  0     0  .76
Fe1   0  0     0  .24
Cu2   0  0 .3588
O1    0 .5 .3761
O2    0  0 .1551
O3    0 .5     0 .520
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ba2 Ca0.09 Cu2.91 Fe0.09 O6 Y0.91
 
Suard E, Caignaert V, Maignan A, Raveau B
 
Physica C 182 (1991) 219-227
The important role of pyramidal copper layers of the 123-structure in
superconductivity. The oxides Ba2Y1-xCaxCu3-xFexO7 and
Ba2Y1-xCaxCu3-xFexO6
_cod_database_code 1001494
_database_code_amcsd 0015033
3.8588 3.8588 11.8199 90 90 90 P4/mmm
atom  x  y     z  occ
Y1   .5 .5    .5  .91
Ca1  .5 .5    .5  .09
Ba1  .5 .5 .1952
Cu1   0  0     0
Cu2   0  0 .3611 .955
Fe1   0  0 .3611 .045
O1    0 .5 .3783
O2    0  0 .1526
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ba2 Ca0.24 Cu2.76 Fe0.24 O6 Y0.76
 
Suard E, Caignaert V, Maignan A, Raveau B
 
Physica C 182 (1991) 219-227
The important role of pyramidal copper layers of the 123-structure in
superconductivity. The oxides Ba2Y1-xCaxCu3-xFexO7 and
Ba2Y1-xCaxCu3-xFexO6
_cod_database_code 1001495
_database_code_amcsd 0015034
3.8616 3.8616 11.8163 90 90 90 P4/mmm
atom  x  y     z occ
Y1   .5 .5    .5 .76
Ca1  .5 .5    .5 .24
Ba1  .5 .5 .1957
Cu1   0  0     0
Cu2   0  0 .3610 .88
Fe1   0  0 .3610 .12
O1    0 .5 .3775
O2    0  0 .1526
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ba2 Ca0.09 Cu2.91 Fe0.09 O7.05 Y0.91
 
Suard E, Caignaert V, Maignan A, Raveau B
 
Physica C 182 (1991) 219-227
The important role of pyramidal copper layers of the 123-structure in
superconductivity. The oxides Ba2Y1-xCaxCu3-xFexO7 and
Ba2Y1-xCaxCu3-xFexO6
_cod_database_code 1001496
_database_code_amcsd 0015035
3.8227 3.8227 11.6689 90 90 90 Pmmm
atom  x  y     z  occ
Y1   .5 .5    .5  .91
Ca1  .5 .5    .5  .09
Ba1  .5 .5 .1846
Cu1   0  0     0
Cu2   0  0 .3549 .955
Fe1   0  0 .3549 .045
O1    0 .5 .3782
O2   .5  0 .3771
O3    0  0 .1587
O4   .5  0     0  .92
O5    0 .5     0  .13
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ba2 Ca0.24 Cu2.76 Fe0.24 O7.07 Y0.76
 
Suard E, Caignaert V, Maignan A, Raveau B
 
Physica C 182 (1991) 219-227
The important role of pyramidal copper layers of the 123-structure in
superconductivity. The oxides Ba2Y1-xCaxCu3-xFexO7 and
Ba2Y1-xCaxCu3-xFexO6
_cod_database_code 1001497
_database_code_amcsd 0015036
3.8263 3.8263 11.6643 90 90 90 Pmmm
atom  x  y     z occ
Y1   .5 .5    .5 .76
Ca1  .5 .5    .5 .24
Ba1  .5 .5 .1841
Cu1   0  0     0
Cu2   0  0 .3544 .88
Fe1   0  0 .3544 .12
O1    0 .5 .3766
O2   .5  0 .3760
O3    0  0 .1592
O4   .5  0     0 .93
O5    0 .5     0 .14
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ba2 Ca0.14 Co0.12 Cu2.88 O6.96 Y0.86
 
Suard E, Caignaert V, Maignan A, Bouree F, Raveau B
 
Physica C 210 (1993) 164-172
Influence of thermal treatment on Y1-xCaxBa2Cu3-xCoxO7.
A neutron diffraction study
_cod_database_code 1001586
_database_code_amcsd 0015047
3.8618 3.8618 11.6910 90 90 90 P4/mmm
atom    x  y     z  occ
Y1     .5 .5    .5  .86
Ca1    .5 .5    .5  .14
Ba1    .5 .5 .1872
Cu1     0  0     0  .88
Co1     0  0     0  .12
Cu2     0  0 .3575
O1      0 .5 .3770
O2      0  0 .1562
O3   .046 .5     0 .240
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ba2 Ca0.18 Co0.24 Cu2.76 O7 Y0.82
 
Suard E, Caignaert V, Maignan A, Bouree F, Raveau B
 
Physica C 210 (1993) 164-172
Influence of thermal treatment on Y1-xCaxBa2Cu3-xCoxO7.
A neutron diffraction study
_cod_database_code 1001587
_database_code_amcsd 0015048
3.8649 3.8649 11.7053 90 90 90 P4/mmm
atom    x  y     z  occ
Y1     .5 .5    .5  .82
Ca1    .5 .5    .5  .18
Ba1    .5 .5 .1897
Cu1     0  0     0  .76
Co1     0  0     0  .24
Cu2     0  0 .3588
O1      0 .5 .3767
O2      0  0 .1544
O3   .058 .5     0 .250
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ba2 Ca0.27 Co0.3 Cu2.7 O7 Y0.73
 
Suard E, Caignaert V, Maignan A, Bouree F, Raveau B
 
Physica C 210 (1993) 164-172
Influence of thermal treatment on Y1-xCaxBa2Cu3-xCoxO7.
A neutron diffraction study
_cod_database_code 1001588
_database_code_amcsd 0015049
3.8646 3.8646 11.7257 90 90 90 P4/mmm
atom    x  y     z  occ
Y1     .5 .5    .5  .73
Ca1    .5 .5    .5  .27
Ba1    .5 .5 .1903
Cu1     0  0     0   .7
Co1     0  0     0   .3
Cu2     0  0 .3600
O1      0 .5 .3762
O2      0  0 .1536
O3   .062 .5     0 .250
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ba2 Ca0.15 Co0.36 Cu2.64 O7.05 Y0.85
 
Suard E, Caignaert V, Maignan A, Bouree F, Raveau B
 
Physica C 210 (1993) 164-172
Influence of thermal treatment on Y1-xCaxBa2Cu3-xCoxO7.
A neutron diffraction study
_cod_database_code 1001589
_database_code_amcsd 0015050
3.8690 3.8690 11.6982 90 90 90 P4/mmm
atom    x  y     z   occ
Y1     .5 .5    .5   .85
Ca1    .5 .5    .5   .15
Ba1    .5 .5 .1912
Cu1     0  0     0   .64
Co1     0  0     0   .36
Cu2     0  0 .3598
O1      0 .5 .3763
O2      0  0 .1527
O3   .066 .5     0 .2625
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ba2 Ca0.15 Co0.12 Cu2.88 O7.01 Y0.85
 
Suard E, Caignaert V, Maignan A, Bouree F, Raveau B
 
Physica C 210 (1993) 164-172
Influence of thermal treatment on Y1-xCaxBa2Cu3-xCoxO7.
A neutron diffraction study
_cod_database_code 1001590
_database_code_amcsd 0015051
3.8424 3.8810 11.6821 90 90 90 Pmmm
atom    x    y     z  occ
Y1     .5   .5    .5  .85
Ca1    .5   .5    .5  .15
Ba1    .5   .5 .1858
Cu1     0    0     0  .89
Co1     0    0     0  .11
Cu2     0    0 .3565 .995
Co2     0    0 .3565 .005
O1      0   .5 .3785
O2     .5    0 .3754
O3      0    0 .1577
O4   .051   .5     0 .395
O5     .5 .051     0  .11
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ba2 Ca0.27 Co0.36 Cu2.64 O7.05 Y0.73
 
Suard E, Caignaert V, Maignan A, Bouree F, Raveau B
 
Physica C 210 (1993) 164-172
Influence of thermal treatment on Y1-xCaxBa2Cu3-xCoxO7.
A neutron diffraction study
_cod_database_code 1001591
_database_code_amcsd 0015052
3.8666 3.8666 11.6726 90 90 90 P4/mmm
atom    x  y     z   occ
Y1     .5 .5    .5   .73
Ca1    .5 .5    .5   .27
Ba1    .5 .5 .1886
Cu1     0  0     0   .73
Co1     0  0     0   .27
Cu2     0  0 .3585  .955
Co2     0  0 .3585  .045
O1      0 .5 .3758
O2      0  0 .1564
O3   .059 .5     0 .2625
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Mn Nd0.5 O3 Sr0.5
 
Caignaert V, Millange F, Hervieu M, Suard E, Raveau B
 
Solid State Communications 99 (1996) 173-177
The manganite Nd0.5 Sr0.5 Mn O3: a rare distortion of the perovskite
_cod_database_code 1001765
_database_code_amcsd 0015489
5.431 7.625 5.477 90 90 90 Imma
atom   x     y     z occ
Nd1    0   .25 .0016  .5
Sr1    0   .25 .0016  .5
Mn1    0     0    .5
O1     0   .25 .5534
O2   .25 .0268   .75
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ba2 Cu2.79 Fe0.15 O6.92 Y
 
Roth G, Heger G, Renker B, Pannetier J, Caignaert V, Hervieu M, Raveau B
 
Zeitschrift fur Physik B71 (1988) 43-52
Crystallographic study of tetragonal, superconducting
YBa2(Cu0.93Fe0.05)3O7
_cod_database_code 1001422
_database_code_amcsd 0015853
3.863 3.863 11.626 90 90 90 P4/mmm
atom  x  y     z occ
Y1   .5 .5    .5
Ba1  .5 .5 .1861
Cu1   0  0     0 .86
Fe1   0  0     0  .1
Cu2   0  0 .3574 .97
Fe2   0  0 .3574 .03
O1    0 .5     0 .50
O2   .5  0 .3782
O3    0  0 .1573 .96
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ba2 Cu2.79 Fe0.15 O6.96 Y
 
Roth G, Heger G, Renker B, Pannetier J, Caignaert V, Hervieu M, Raveau B
 
Zeitschrift fur Physik B71 (1988) 43-52
Crystallographic study of tetragonal, superconducting
YBa2(Cu0.93Fe0.05)3O7
_cod_database_code 1001423
_database_code_amcsd 0015854
3.858 3.858 11.585 90 90 90 P4/mmm
atom  x  y     z occ
Y1   .5 .5    .5
Ba1  .5 .5 .1853
Cu1   0  0     0 .86
Fe1   0  0     0  .1
Cu2   0  0 .3568 .97
Fe2   0  0 .3568 .03
O1    0 .5     0 .50
O2   .5  0 .3779
O3    0  0 .1580 .98
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ba2 Cu2.79 Fe0.15 O6.96 Y
 
Roth G, Heger G, Renker B, Pannetier J, Caignaert V, Hervieu M, Raveau B
 
Zeitschrift fur Physik B71 (1988) 43-52
Crystallographic study of tetragonal, superconducting
YBa2(Cu0.93Fe0.05)3O7
_cod_database_code 1001424
_database_code_amcsd 0015855
3.862 3.862 11.673 90 90 90 P4/mmm
atom  x  y     z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Y1   .5 .5    .5       .0057  .0057  .0081      0      0      0
Ba1  .5 .5 .1855       .0109  .0109  .0102      0      0      0
Cu1   0  0     0  .86  .0101  .0101  .0064      0      0      0
Fe1   0  0     0   .1  .0101  .0101  .0064      0      0      0
Cu2   0  0 .3565  .97  .0054  .0054  .0109      0      0      0
Fe2   0  0 .3565  .03  .0054  .0054  .0109      0      0      0
O1    0 .5     0 .484   .037   .013   .014      0      0      0
O2   .5  0 .3781       .0028   .009  .0135      0      0      0
O3    0  0 .1589       .0209  .0209  .0100      0      0      0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Download in:

Multiple datasets can be concatenated into a single downloadable file by selecting the datasets and then clicking

Multiple datasets can be downloaded as individual files inside a ZIP archive by selecting the datasets and then clicking

Total number of retrieved datasets: 60
View in amc, download in amc

Return to AMCSD Home Page