American Mineralogist Crystal Structure Database

7 matching records for this search.

Armalcolite
Download hom/armalcolite.pdf
Wechsler B A
Download am/vol62/AM62_913.pdf
American Mineralogist 62 (1977) 913-920
Cation distribution and high-temperature crystal chemistry of armalcolite
sample Arm-E, T = 24 deg C, before annealing
_database_code_amcsd 0000590
9.7762 10.0341 3.7504 90 90 90 Bbmm
atom      x      y z  occ B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3) B(2,3)
Fe1  .80743    .25 0 .332 .00139 .00157  .0194       0      0      0
Mg1  .80743    .25 0 .332 .00139 .00157  .0194       0      0      0
Ti1  .80743    .25 0 .335 .00139 .00157  .0194       0      0      0
Fe2  .13464 .43528 0 .084 .00128 .00174  .0170 -.00008      0      0
Mg2  .13464 .43528 0 .084 .00128 .00174  .0170 -.00008      0      0
Ti2  .13464 .43528 0 .832 .00128 .00174  .0170 -.00008      0      0
O1    .2243    .25 0       .0038  .0021  .0242       0      0      0
O2    .0464  .8846 0       .0020  .0019  .0311  -.0002      0      0
O3    .3133  .9348 0       .0024  .0030  .0157  -.0001      0      0
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View JMOL 3-D Structure (permalink)
 
Armalcolite
Download hom/armalcolite.pdf
Wechsler B A
Download am/vol62/AM62_913.pdf
American Mineralogist 62 (1977) 913-920
Cation distribution and high-temperature crystal chemistry of armalcolite
sample Arm-E, T = 24 deg C, after annealing
_database_code_amcsd 0000591
9.745 10.0625 3.7422 90 90 90 Bbmm
atom      x      y z  occ B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3) B(2,3)
Mg1  .80614    .25 0 .456 .00170 .00160 .01160       0      0      0
Ti1  .80614    .25 0 .088 .00170 .00160 .01160       0      0      0
Fe2  .13370 .43322 0 .022 .00137 .00140 .00770 -.00004      0      0
Mg2  .13370 .43322 0 .022 .00137 .00140 .00770 -.00004      0      0
Ti2  .13370 .43322 0 .956 .00137 .00140 .00770 -.00004      0      0
O1    .2141    .25 0       .0026  .0015  .0120       0      0      0
O2    .0455  .8866 0       .0017  .0012  .0202 -.00007      0      0
O3    .3141  .9397 0       .0017  .0024  .0045  .00006      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)
 
Armalcolite
Download hom/armalcolite.pdf
Wechsler B A
Download am/vol62/AM62_913.pdf
American Mineralogist 62 (1977) 913-920
Cation distribution and high-temperature crystal chemistry of armalcolite
sample Arm-E, T = 1100 deg C
_database_code_amcsd 0000592
9.899 10.1835 3.76422 90 90 90 Bbmm
atom      x      y z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Fe1  .81265    .25 0 .406  .0060  .0045  .0401      0      0      0
Mg1  .81265    .25 0 .406  .0060  .0045  .0401      0      0      0
Ti1  .81265    .25 0 .188  .0060  .0045  .0401      0      0      0
Fe2  .13470 .43551 0 .047 .00517  .0056  .0281 .00002      0      0
Mg2  .13470 .43551 0 .047 .00517  .0056  .0281 .00002      0      0
Ti2  .13470 .43551 0 .906 .00517  .0056  .0281 .00002      0      0
O1    .2324    .25 0       .0078  .0055  .0578      0      0      0
O2    .0454  .8841 0       .0062  .0043  .0888 .00005      0      0
O3    .3121  .9326 0       .0082  .0079  .0377 -.0003      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)
 
Armalcolite
Download hom/armalcolite.pdf
Wechsler B A
Download am/vol62/AM62_913.pdf
American Mineralogist 62 (1977) 913-920
Cation distribution and high-temperature crystal chemistry of armalcolite
sample Arm-E, T = 24 deg C, after heating
_database_code_amcsd 0000593
9.7697 10.0410 3.7473 90 90 90 Bbmm
atom      x      y z  occ B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3) B(2,3)
Fe1  .80703    .25 0 .367  .0024  .0019  .0172       0      0      0
Mg1  .80703    .25 0 .367  .0024  .0019  .0172       0      0      0
Ti1  .80703    .25 0 .266  .0024  .0019  .0172       0      0      0
Fe2  .13428 .43494 0 .066 .00221 .00160  .0104 -.00003      0      0
Mg2  .13428 .43494 0 .066 .00221 .00160  .0104 -.00003      0      0
Ti2  .13428 .43494 0 .867 .00221 .00160  .0104 -.00003      0      0
O1    .2237    .25 0       .0023  .0031  .0073       0      0      0
O2    .0454  .8841 0       .0032  .0021  .0150  .00005      0      0
O3    .3121  .9351 0       .0029  .0028  .0133  -.0009      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)
 
Armalcolite
Download hom/armalcolite.pdf
Wechsler B A
Download am/vol62/AM62_913.pdf
American Mineralogist 62 (1977) 913-920
Cation distribution and high-temperature crystal chemistry of armalcolite
sample Arm-C, T = 400 deg C
_database_code_amcsd 0000594
9.7655 10.0762 3.7429 90 90 90 Bbmm
atom      x      y z occ B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3) B(2,3)
Fe1  .80806    .25 0  .5 .00279 .00260  .0310       0      0      0
Mg1  .80806    .25 0  .5 .00279 .00260  .0310       0      0      0
Ti   .13394 .43374 0     .00198 .00263  .0221 -.00003      0      0
O1    .2182    .25 0      .0044  .0021  .0288       0      0      0
O2    .0458  .8862 0      .0018  .0023  .0506   .0001      0      0
O3    .3146  .9385 0      .0028  .0042  .0200   .0001      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)
 
Armalcolite
Download hom/armalcolite.pdf
Wechsler B A, Von Dreele R B
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=45&spage=542
Acta Crystallographica B45 (1989) 542-549
Structure refinements of Mg2TiO4, MgTiO3 and MgTi2O5 by time-of-flight neutron
powder diffraction
Locality: synthetic
Sample: T = 973 K
_database_code_amcsd 0009835
9.7289 10.0057 3.7416 90 90 90 Bbmm
atom      x      y z  occ  Uiso
MgM1 .19521    .25 0 .787 .0058
TiM1 .19521    .25 0 .213 .0058
MgM2 .13255 .56474 0 .106 .0035
TiM2 .13255 .56474 0 .894 .0035
O1   .77696    .25 0      .0081
O2   .04606 .11407 0      .0082
O3   .31332 .06499 0      .0068
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Armalcolite
Download hom/armalcolite.pdf
Wechsler B A, Von Dreele R B
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=45&spage=542
Acta Crystallographica B45 (1989) 542-549
Structure refinements of Mg2TiO4, MgTiO3 and MgTi2O5 by time-of-flight neutron
powder diffraction
Locality: synthetic
Sample: T = 1773
_database_code_amcsd 0009836
9.7492 9.9896 3.7460 90 90 90 Bbmm
atom      x      y z  occ  Uiso
MgM1 .19482    .25 0 .600 .0060
TiM1 .19482    .25 0 .400 .0060
MgM2 .13298 .56108 0 .200 .0032
TiM2 .13298 .56108 0 .800 .0032
O1   .77021    .25 0      .0112
O2   .04653 .11521 0      .0105
O3   .31235 .06803 0      .0087
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: 7
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