American Mineralogist Crystal Structure Database

8 matching records for this search.

Ba Cu F2 O3
 
Leblanc M, Mercier N, Attfield J
 
European Journal of Solid State and Inorganic Chemistry 32 (1995) 535-538
Revision of the structure of Ba Cu (C O3) F2 by neutron diffraction
_cod_database_code 1000394
_database_code_amcsd 0012598
4.8866 8.531 9.582 90 90 90 Pbcm
atom      x     y     z
Ba1   .2733   .25     0
Cu1   .7521 .4139   .25
F1    .7599 .4144 .4489
C1    .2117 .5843   .25
O1    .2851 .4410   .25
O2   -.0480 .6171   .25
O3    .6183 .1957   .25
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La2 O5 Pd2
 
Attfield J, Ferey G
 
Journal of Solid State Chemistry 80 (1989) 286-298
Structural correlations within the lanthanum palladium oxide family
_cod_database_code 1000482
_database_code_amcsd 0013657
6.703 6.703 5.630 90 90 90 P4_2/m
atom     x     y    z
La1  .2648 .1080    0
Pd1  .3099 .5951    0
O1    .198  .402 .255
O2       0     0  .25
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La2 O4 Pd
 
Attfield J, Ferey G
 
Journal of Solid State Chemistry 80 (1989) 286-298
Structural correlations within the lanthanum palladium oxide family
_cod_database_code 1000483
_database_code_amcsd 0013658
4.055 4.055 12.62 90 90 90 I4/mmm
atom x  y    z
La1  0  0 .351
Pd1  0  0    0
O1   0 .5    0
O2   0 .5  .25
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La4 O7 Pd
 
Attfield J, Ferey G
 
Journal of Solid State Chemistry 80 (1989) 286-298
Structural correlations within the lanthanum palladium oxide family
_cod_database_code 1000484
_database_code_amcsd 0013659
13.469 4.0262 9.448 90 133.42 90 C2/m
atom     x  y      z
La1  .2470 .5  .1540
La2  .5839  0  .3889
Pd1      0  0      0
O1       0 .5      0
O2   .3673  0  .3101
O3   .0875  0 -.1126
O4   .2961 .5  .4462
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La2CO5
 
Attfield J, Ferey G
 
Journal of Solid State Chemistry 82 (1989) 132-138
Structure determination of La2O2CO3-II and the unusual disordered
phase La2O2.52(CO3)0.74Li0.52 using powder diffraction
_cod_database_code 1000463
_database_code_amcsd 0013662
4.0755 4.0755 15.957 90 90 120 P6_3/mmc
atom    x   y      z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
La1   1/3 2/3 .09570       .224   .224   .336   .112      0      0
O1    1/3 2/3  .5577
O2      0   0  .1786
C    .040 .08    .25 1/3
O3   .235 .47    .25 1/3
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La2CO4.85
 
Attfield J, Ferey G
 
Journal of Solid State Chemistry 82 (1989) 132-138
Structure determination of La2O2CO3-II and the unusual disordered
phase La2O2.52(CO3)0.74Li0.52 using powder diffraction
_cod_database_code 1000464
_database_code_amcsd 0013663
4.0852 4.0852 16.2211 90 90 120 P6_3/mmc
atom   x    y      z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
La   1/3  2/3 .09422        .438   .438   .674   .219      0      0
O1   1/3  2/3  .5566
O2     0    0  .1804
C   .058 .116    .25 .282
O3  .228 .456    .25 .282
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La2Li0.52CO4.74
 
Attfield J, Ferey G
 
Journal of Solid State Chemistry 82 (1989) 132-138
Structure determination of La2O2CO3-II and the unusual disordered
phase La2O2.52(CO3)0.74Li0.52 using powder diffraction
_cod_database_code 1000465
_database_code_amcsd 0013664
4.0580 4.0580 16.22189 90 90 120 P6_3/mmc
atom      x      y     z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
La      1/3    2/3 .0943         .45    .45    .82   .225      0      0
O1      1/3    2/3 .5569         .33    .33    1.2   .165      0      0
O2   -.0341 -.0681 .1755 .266
O3     .228   .456   .25 .247
O4     .262   .131  .133 .067
C     .0470   .094   .25 .247
Li      2/3    1/3   .25  .52
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Bonaccordite
Download hom/bonaccordite.pdf
Perkins D A, Attfield J P
 
Journal of the Chemical Society, Chemical Communications 1991 (1991) 229-231
Resonant powder X-ray determination of the cation distribution in FeNi2BO5
Locality: synthetic
_database_code_amcsd 0014105
9.21048 12.23794 3.00620 90 90 90 Pbam
atom      x     y  z  occ Biso
FeM1      0     0  0 .088  .13
NiM1      0     0  0 .912  .13
FeM2     .5     0 .5 .385  .13
NiM2     .5     0 .5 .615  .13
FeM3 -.0001 .2814  0 .144  .13
NiM3 -.0001 .2814  0 .856  .13
FeM4  .7378 .3848 .5 .619  .13
NiM4  .7378 .3848 .5 .381  .13
B      .274 .3602 .5        .3
O1    .8516 .0438 .5       .13
O2    .3910 .0763  0       .13
O3    .6276 .1394 .5       .13
O4    .1038 .1444  0       .13
O5    .8497 .2395 .5       .13
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Total number of retrieved datasets: 8
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