American Mineralogist Crystal Structure Database

5 matching records for this search.

Macedonite
Download hom/macedonite.pdf
Glazer A M, Mabud S A
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=34&spage=1065
Acta Crystallographica B34 (1978) 1065-1070
Powder profile refinement of lead zirconate titanate at several temperatures.
II. Pure PbTiO3
Locality: synthetic
Sample: T = -183 C
_database_code_amcsd 0009629
3.895 3.895 4.171 90 90 90 P4mm
atom  x  y    z Biso  B(1,1)  B(2,2)   B(3,3) B(1,2) B(1,3) B(2,3)
Pb    0  0    0 .378 .001154 .001154  .003736      0      0      0
Ti   .5 .5  .54 .284 .003131 .003131 -.001150      0      0      0
O1   .5 .5 .118 .670 .006262 .006262  .023423      0      0      0
O2   .5  0 .621 .498 .015820 .008404  .016382      0      0      0
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Macedonite
Download hom/macedonite.pdf
Glazer A M, Mabud S A
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=34&spage=1065
Acta Crystallographica B34 (1978) 1065-1070
Powder profile refinement of lead zirconate titanate at several temperatures.
II. Pure PbTiO3
Locality: synthetic
Sample; T = -115 C
_database_code_amcsd 0009630
3.899 3.899 4.167 90 90 90 P4mm
atom  x  y     z Biso  B(1,1)  B(2,2)  B(3,3) B(1,2) B(1,3) B(2,3)
Pb    0  0     0 .757 .012334 .012334 .011662      0      0      0
Ti   .5 .5  .541 .364 .001480 .001480 .010078      0      0      0
O1   .5 .5 .1148 .713 .013649 .013649 .016269      0      0      0
O2   .5  0 .6208 .862 .011018 .004933 .018861      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)
 
Macedonite
Download hom/macedonite.pdf
Glazer A M, Mabud S A
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=34&spage=1065
Acta Crystallographica B34 (1978) 1065-1070
Powder profile refinement of lead zirconate titanate at several temperatures.
II. Pure PbTiO3
Locality: synthetic
Sample: T = 25 C
_database_code_amcsd 0009631
3.905 3.905 4.156 90 90 90 P4mm
atom  x  y    z Biso   B(1,1)   B(2,2)  B(3,3) B(1,2) B(1,3) B(2,3)
Pb    0  0    0 .706  .009017  .008853 .012448      0      0      0
Ti   .5 .5 .539 .060 -.002131 -.002131 .010277      0      0      0
O1   .5 .5 .114 .351  .012952  .012952 .005934      0      0      0
O2   .5  0 .617 .477  .010165 -.005410 .013316      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)
 
Macedonite
Download hom/macedonite.pdf
Glazer A M, Mabud S A
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=34&spage=1065
Acta Crystallographica B34 (1978) 1065-1070
Powder profile refinement of lead zirconate titanate at several temperatures.
II. Pure PbTiO3
Locality: synthetic
Sample: T = 550 C
_database_code_amcsd 0009632
3.97 3.97 3.97 90 90 90 P4/mmm
atom  x  y  z  Biso  B(1,1)  B(2,2)  B(3,3) B(1,2) B(1,3) B(2,3)
Pb    0  0  0 2.711 .042986 .042986 .042986      0      0      0
Ti   .5 .5 .5  .694 .011341 .011341 .011341      0      0      0
O1   .5 .5  0 1.549 .013974 .013974 .047459      0      0      0
O2   .5  0 .5 1.549 .013974 .047459 .013974      0      0      0
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Macedonite
Download hom/macedonite.pdf
Cole S, Espenschied H
 
Journal of Physical Chemistry 41 (1937) 445-451
Lead titanate: crystal structure, temperature of formation, and
specific gravity data
_cod_database_code 1011028
_database_code_amcsd 0017934
4.000 4.211 3.875 90 90 90 Pmmm
atom  x  y  z
Pb1   0  0  0
Ti1  .5 .5 .5
O1   .5 .5  0
O2   .5  0 .5
O3    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)
 
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Total number of retrieved datasets: 5
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