American Mineralogist Crystal Structure Database

6 matching records for this search.

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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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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Fe2 Hg0.3 O9 Pr0.57 Sr4
 
Boullay P, Domenges B, Groult D, Raveau B
 
Journal of Solid State Chemistry 124 (1996) 1-7
A mercury-based ferrite with a 0201-1201 structure: (Hg, Pr) Sr4 Fe2 O9
_cod_database_code 1001740
_database_code_amcsd 0013892
3.8174 3.8138 30.33899 90 90 90 Immm
atom   x  y     z occ
Hg1    0  0     0 .30
Pr1    0  0     0 .57
Sr1   .5 .5 .0839
Sr2   .5 .5 .2054
Fe1    0  0 .1476
O1   .19  0    .5  .5
O2     0  0  .071
O3    .5  0 .1412
O4     0 .5 .1412
O5     0  0  .214
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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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Ba Fe2 Hg0.467 O8.75 Sr2 Tl1.402
 
Nguyen N, Groult D, Boullay P, Michel C, Raveau B
 
Journal of Solid State Chemistry 132 (1997) 308-314
New mixed valent ferrites (Tl1.5 Hg0.5) Sr3-x Bax Fe2 O9-d (0
the Tl-2212-type structure
_cod_database_code 1001812
_database_code_amcsd 0013937
3.8445 3.8445 30.09799 90 90 90 I4/mmm
atom   x  y     z  occ
Tl1    0  0 .2862 .701
Hg1    0  0 .2862 .234
Ba1    0  0 .1300  .30
Sr1    0  0 .1300  .70
Ba2    0  0     0  .40
Sr2    0  0     0  .60
Fe1    0  0 .4360
O1     0  0    .5
O2     0  0  .354
O3   .11  0  .221 .219
O4     0 .5 .4277
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BaMnO39
 
Boullay P, Hervieu M, Labbe P, Raveau B
 
Materials Research Bulletin 32 (1997) 35-42
Single crystal and HREM study of the "Bi-Sr" stabilized BaMnO39 R polytype
_cod_database_code 1001718
_database_code_amcsd 0014378
5.663 5.663 20.95499 90 90 120 R-3m
atom     x     y      z
Ba1      0     0      0
Ba2      0     0 .21859
Mn1      0     0     .5
Mn2      0     0 .38145
O1   .1489 .8511  .5584
O2      .5     0      0
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Total number of retrieved datasets: 6
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