American Mineralogist Crystal Structure Database

20 matching records for this search.

BaTiO3
 
Kwei G H, Lawson A C, Billinge S J L, Cheong S W
 
Journal of Physical Chemistry 97 (1993) 2368-2377
Structures of the ferroelectric phases of barium titanate
Locality: synthetic
Note: T = 15 K
_database_code_amcsd 0018583
4.00360 4.00360 4.00360 89.839 89.839 89.839 R3m
atom     x     y      z   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba       0     0      0 -.0015 -.0015 -.0015 -.0015 -.0041 -.0041 -.0041
Ti   .4872 .4872  .4872  .0028  .0028  .0028  .0028  .0006  .0006  .0006
O    .5109 .5109 .01930  .0020  .0023  .0023  .0014  .0004  .0007  .0007
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BaTiO3
 
Kwei G H, Lawson A C, Billinge S J L, Cheong S W
 
Journal of Physical Chemistry 97 (1993) 2368-2377
Structures of the ferroelectric phases of barium titanate
Locality: synthetic
Note: T = 20 K
_database_code_amcsd 0018584
4.0036 4.0036 4.0036 89.840 89.840 89.840 R3m
atom     x     y     z   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba       0     0     0 -.0011 -.0011 -.0011 -.0011 -.0043 -.0043 -.0043
Ti   .4880 .4880 .4880  .0025  .0025  .0025  .0025  .0001  .0001  .0001
O    .5116 .5116 .0195  .0018  .0017  .0017  .0019  .0001  .0004  .0004
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BaTiO3
 
Kwei G H, Lawson A C, Billinge S J L, Cheong S W
 
Journal of Physical Chemistry 97 (1993) 2368-2377
Structures of the ferroelectric phases of barium titanate
Locality: synthetic
Note: T = 40 K
_database_code_amcsd 0018585
4.0035 4.0035 4.0035 89.843 89.843 89.843 R3m
atom     x     y     z   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba       0     0     0 -.0014 -.0014 -.0014 -.0014 -.0039 -.0039 -.0039
Ti   .4847 .4847 .4847  .0019  .0019  .0019  .0019 -.0005 -.0005 -.0005
O    .5088 .5088 .0183  .0028  .0039  .0039  .0008  .0002  .0016  .0016
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BaTiO3
 
Kwei G H, Lawson A C, Billinge S J L, Cheong S W
 
Journal of Physical Chemistry 97 (1993) 2368-2377
Structures of the ferroelectric phases of barium titanate
Locality: synthetic
Note: T = 70 K
_database_code_amcsd 0018586
4.0042 4.0042 4.0042 89.837 89.837 89.837 R3m
atom     x     y     z   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba       0     0     0 -.0012 -.0012 -.0012 -.0012 -.0043 -.0043 -.0043
Ti   .4845 .4845 .4845  .0014 .00014 .00014 .00014 -.0004 -.0004 -.0004
O    .5086 .5086 .0175  .0029  .0036  .0036  .0016   .001  .0014  .0014
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BaTiO3
 
Kwei G H, Lawson A C, Billinge S J L, Cheong S W
 
Journal of Physical Chemistry 97 (1993) 2368-2377
Structures of the ferroelectric phases of barium titanate
Locality: synthetic
Note: T = 100 K
_database_code_amcsd 0018587
4.0042 4.0042 4.0042 89.836 89.836 89.836 R3m
atom     x     y     z   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba       0     0     0 -.0010 -.0010 -.0010 -.0010 -.0042 -.0042 -.0042
Ti   .4893 .4893 .4893  .0047  .0047  .0047  .0047  .0008  .0008  .0008
O    .5113 .5113 .0200  .0025  .0028  .0028  .0024  .0008  .0008  .0008
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BaTiO3
 
Kwei G H, Lawson A C, Billinge S J L, Cheong S W
 
Journal of Physical Chemistry 97 (1993) 2368-2377
Structures of the ferroelectric phases of barium titanate
Locality: synthetic
Note: T = 130 K
_database_code_amcsd 0018588
4.00385 4.00385 4.00385 89.843 89.843 89.843 R3m
atom     x     y     z   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba       0     0     0 -.0005 -.0005 -.0005 -.0005 -.0047 -.0047 -.0047
Ti   .4853 .4853 .4853  .0019  .0019  .0019  .0019 -.0009 -.0009 -.0009
O    .5088 .5088 .0185  .0027  .0038  .0038  .0006  .0004  .0013  .0013
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BaTiO3
 
Kwei G H, Lawson A C, Billinge S J L, Cheong S W
 
Journal of Physical Chemistry 97 (1993) 2368-2377
Structures of the ferroelectric phases of barium titanate
Locality: synthetic
Note: T = 150 K
_database_code_amcsd 0018589
4.0057 4.0057 4.0057 89.846 89.846 89.846 R3m
atom     x     y     z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba       0     0     0 .0012  .0012  .0012  .0012 -.0057 -.0057 -.0057
Ti   .4864 .4864 .4864 .0034  .0035  .0035  .0035 -.0020 -.0020 -.0020
O    .5093 .5093 .0181 .0028  .0041  .0041  .0006  .0004  .0010  .0010
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BaTiO3
 
Kwei G H, Lawson A C, Billinge S J L, Cheong S W
 
Journal of Physical Chemistry 97 (1993) 2368-2377
Structures of the ferroelectric phases of barium titanate
Locality: synthetic
Note: T = 170 K
_database_code_amcsd 0018590
4.0041 4.0041 4.0041 89.852 89.852 89.852 R3m
atom     x     y     z   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba       0     0     0 -.0002 -.0001 -.0001 -.0001 -.0049 -.0049 -.0049
Ti   .4860 .4860 .4860  .0030  .0030  .0030  .0030 -.0005 -.0005 -.0005
O    .5084 .5084 .0185  .0030  .0041  .0041  .0006  .0004  .0010  .0010
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BaTiO3
 
Kwei G H, Lawson A C, Billinge S J L, Cheong S W
 
Journal of Physical Chemistry 97 (1993) 2368-2377
Structures of the ferroelectric phases of barium titanate
Locality: synthetic
Note: T = 180 K
_database_code_amcsd 0018591
4.0043 4.0043 4.0043 89.855 89.855 89.855 R3m
atom     x     y     z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba       0     0     0 .0000  .0000  .0000  .0000 -.0050 -.0050 -.0050
Ti   .4870 .4870 .4870 .0036  .0036  .0036  .0036  .0004  .0004  .0004
O    .5092 .5092 .0189 .0030  .0040  .0040  .0012  .0004  .0010  .0010
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Barioperovskite
 
Kwei G H, Lawson A C, Billinge S J L, Cheong S W
 
Journal of Physical Chemistry 97 (1993) 2368-2377
Structures of the ferroelectric phases of barium titanate
Locality: synthetic
Note: T = 190 K
_database_code_amcsd 0018592
3.9828 5.6745 5.6946 90 90 90 Amm2
atom  x     y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba    0     0      0 .0009  .0042  .0084  .0098      0      0      0
Ti   .5     0  .5170 .0026  .0019  .0030  .0028      0      0      0
O1    0     0  .4890 .0048  .0060  .0041  .0043      0      0      0
O2   .5 .2561 .24843 .0025  .0019  .0009  .0046      0      0  .0032
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Barioperovskite
 
Kwei G H, Lawson A C, Billinge S J L, Cheong S W
 
Journal of Physical Chemistry 97 (1993) 2368-2377
Structures of the ferroelectric phases of barium titanate
Locality: synthetic
Note: T = 210 K
_database_code_amcsd 0018593
3.9806 5.6710 5.6904 90 90 90 Amm2
atom  x     y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba    0     0      0 .0012  .0032  .0104  .0101      0      0      0
Ti   .5     0  .5143 .0051  .0031  .0049  .0073      0      0      0
O1    0     0  .4890 .0055  .0065  .0032  .0068      0      0      0
O2   .5 .2561 .24833 .0031  .0022  .0006  .0064      0      0  .0023
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Barioperovskite
 
Kwei G H, Lawson A C, Billinge S J L, Cheong S W
 
Journal of Physical Chemistry 97 (1993) 2368-2377
Structures of the ferroelectric phases of barium titanate
Locality: synthetic
Note: T = 230 K
_database_code_amcsd 0018594
3.9841 5.6741 5.6916 90 90 90 Amm2
atom  x     y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba    0     0      0 .0000  .0042  .0057  .0099      0      0      0
Ti   .5     0  .5079 .0074  .0005  .0089  .0128      0      0      0
O1    0     0  .4921 .0048  .0075  .0031  .0039      0      0      0
O2   .5 .2544 .24811 .0032  .0012  .0042  .0042      0      0  .0010
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Barioperovskite
 
Kwei G H, Lawson A C, Billinge S J L, Cheong S W
 
Journal of Physical Chemistry 97 (1993) 2368-2377
Structures of the ferroelectric phases of barium titanate
Locality: synthetic
Note: T = 250 K
_database_code_amcsd 0018595
3.9855 5.6738 5.6903 90 90 90 Amm2
atom  x     y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba    0     0      0 .0009  .0045  .0082 .00010      0      0      0
Ti   .5     0  .5124 .0066  .0034  .0088  .0075      0      0      0
O1    0     0  .4874 .0059  .0068  .0043  .0066      0      0      0
O2   .5 .2567 .24854 .0042  .0022  .0031  .0074      0      0  .0038
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Barioperovskite
 
Kwei G H, Lawson A C, Billinge S J L, Cheong S W
 
Journal of Physical Chemistry 97 (1993) 2368-2377
Structures of the ferroelectric phases of barium titanate
Locality: synthetic
Note: T = 270 K
_database_code_amcsd 0018596
3.9874 5.6751 5.6901 90 90 90 Amm2
atom  x     y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba    0     0      0 .0018  .0049  .0106  .0100      0      0      0
Ti   .5     0  .5169 .0034  .0026  .0042  .0035      0      0      0
O1    0     0  .4010 .0054  .0047  .0060  .0055      0      0      0
O2   .5 .2560 .24860 .0038  .0027  .0025  .0063      0      0  .0031
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La O3 V
 
Bordet P, Chaillout C, Marezio M, Huang Q, Santoro A, Cheong S,
Takagi H, Oglesby C, Batlogg B
 
Journal of Solid State Chemistry 106 (1993) 253-270
Structural aspects of the crystallographic-magnetic transition in
LaVO3 around 140 K
_cod_database_code 1008644
_database_code_amcsd 0016533
5.55548 7.84868 5.55349 90 90 90 Pnma
atom     x     y     z
La1  .0295   .25 .9951
V1      .5     0     0
O1   .4880   .25 .0707
O2   .2831 .0387 .7168
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La O3 V
 
Bordet P, Chaillout C, Marezio M, Huang Q, Santoro A, Cheong S,
Takagi H, Oglesby C, Batlogg B
 
Journal of Solid State Chemistry 106 (1993) 253-270
Structural aspects of the crystallographic-magnetic transition in
LaVO3 around 140 K
_cod_database_code 1008645
_database_code_amcsd 0016534
5.55810 7.83421 5.54862 90 90 90 Pnma
atom     x     y     z
La1  .0318   .25 .9954
V1      .5     0     0
O1   .4876   .25 .0724
O2   .2848 .0392 .7168
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La O3 V
 
Bordet P, Chaillout C, Marezio M, Huang Q, Santoro A, Cheong S,
Takagi H, Oglesby C, Batlogg B
 
Journal of Solid State Chemistry 106 (1993) 253-270
Structural aspects of the crystallographic-magnetic transition in
LaVO3 around 140 K
_cod_database_code 1008646
_database_code_amcsd 0016535
5.59360 7.75951 5.56490 90 90 90.1250 P2_1/a
atom     x     y     z
La1  .0334   .25 .9924
V1      .5     0     0
V2       0    .5    .5
O1   .4885   .25 .0716
O2   .2789 .0377 .7134
O3   .7119 .5391 .2792
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La O3 V
 
Bordet P, Chaillout C, Marezio M, Huang Q, Santoro A, Cheong S,
Takagi H, Oglesby C, Batlogg B
 
Journal of Solid State Chemistry 106 (1993) 253-270
Structural aspects of the crystallographic-magnetic transition in
LaVO3 around 140 K
_cod_database_code 1008647
_database_code_amcsd 0016536
5.5917 7.7516 5.5623 90 90 90.129 P2_1/a
atom     x     y     z
La1  .0341   .25 .9917
V1      .5     0     0
V2       0    .5    .5
O1   .4900   .25 .0710
O2   .2776 .0381 .7144
O3   .7104 .5389 .2833
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Cu La2 O4
 
Chaillout C, Bordet P, Chenavas J, Cheong S, Fisk Z, Marezio M,
Morosin B, Schirber J
 
Materials Research Society Symposia Proceedings 169 (1990) 47-52
Structural aspects of the phase separation in La2CuO4.032
_cod_database_code 1008572
_database_code_amcsd 0016463
5.350 13.148 5.398 90 90 90 Cmca
atom    x      y      z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
La1     0 .36111  .0069       .0055  .0030  .0022      0      0  .0002
Cu1     0      0      0       .0042  .0050  .0001      0      0      0
O1      0 .18307 -.0356 .943  .0077  .0040  .0123      0      0 -.0014
O2    .25 .99303    .75 .993  .0055  .0094  .0023      0  .0007      0
O3   .030   .182   .100 .024
O4    .25   .243    .25 .016
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Cu La2 O4.024
 
Chaillout C, Bordet P, Chenavas J, Cheong S, Fisk Z, Marezio M,
Morosin B, Schirber J
 
Materials Research Society Symposia Proceedings 169 (1990) 47-52
Structural aspects of the phase separation in La2CuO4.032
_cod_database_code 1008573
_database_code_amcsd 0016464
5.350 13.148 5.398 90 90 90 Fmmm
atom    x      y    z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
La1     0 .36109    0       .0076  .0029  .0019      0      0      0
Cu1     0      0    0        .005  .0050   .001      0      0      0
O1      0  .1813    0  .80   .012   .001   .059      0      0      0
O2    .25      0  .75 .996   .008  .0191 .00001      0 -.0007      0
O3   -.01   .191 .046  .05
O4    .25    .25  .75 .016
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Total number of retrieved datasets: 20
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