American Mineralogist Crystal Structure Database

29 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
Download AMC data (View Text File)
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View JMOL 3-D Structure
 
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
 
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
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Download diffraction data (View Text File)
View JMOL 3-D Structure
 
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)
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View JMOL 3-D Structure
 
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)
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View JMOL 3-D Structure
 
Ilmenite
Download hom/ilmenite.pdf
Wechsler B A, Prewitt C T
Download am/vol69/AM69_176.pdf
American Mineralogist 69 (1984) 176-185
Crystal structure of ilmenite (FeTiO3) at high temperature and high pressure
24 deg C
_database_code_amcsd 0000925
5.0884 5.0884 14.0855 90 90 120 R-3
atom      x      y      z  Biso
Fe        0      0 .35537 0.582
Ti        0      0 .14640 0.458
O    .31743 .02332 .24506 0.580
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Ilmenite
Download hom/ilmenite.pdf
Wechsler B A, Prewitt C T
Download am/vol69/AM69_176.pdf
American Mineralogist 69 (1984) 176-185
Crystal structure of ilmenite (FeTiO3) at high temperature and high pressure
400 deg C
_database_code_amcsd 0000926
5.108 5.108 14.1287 90 90 120 R-3
atom      x      y      z Biso
Fe        0      0 .35605 1.17
Ti        0      0 .14676 0.87
O    .31796 .02432 .24479 1.06
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Ilmenite
Download hom/ilmenite.pdf
Wechsler B A, Prewitt C T
Download am/vol69/AM69_176.pdf
American Mineralogist 69 (1984) 176-185
Crystal structure of ilmenite (FeTiO3) at high temperature and high pressure
600 deg C
_database_code_amcsd 0000927
5.1182 5.1182 14.1566 90 90 120 R-3
atom      x      y      z Biso
Fe        0      0 .35650 1.51
Ti        0      0 .14696 1.10
O    .31864 .02438 .24479 1.31
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Ilmenite
Download hom/ilmenite.pdf
Wechsler B A, Prewitt C T
Download am/vol69/AM69_176.pdf
American Mineralogist 69 (1984) 176-185
Crystal structure of ilmenite (FeTiO3) at high temperature and high pressure
800 deg C
_database_code_amcsd 0000928
5.128 5.128 14.187 90 90 120 R-3
atom      x      y      z Biso
Fe        0      0 .35689 1.86
Ti        0      0 .14722 1.32
O    .31919 .02499 .24496 1.65
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Ilmenite
Download hom/ilmenite.pdf
Wechsler B A, Prewitt C T
Download am/vol69/AM69_176.pdf
American Mineralogist 69 (1984) 176-185
Crystal structure of ilmenite (FeTiO3) at high temperature and high pressure
1050 deg C
_database_code_amcsd 0000929
5.1412 5.1412 14.225 90 90 120 R-3
atom      x      y      z Biso
Fe        0      0 .35732 2.37
Ti        0      0 .14748 1.61
O    .31867 .02491 .24475 1.99
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Ilmenite
Download hom/ilmenite.pdf
Wechsler B A, Prewitt C T
Download am/vol69/AM69_176.pdf
American Mineralogist 69 (1984) 176-185
Crystal structure of ilmenite (FeTiO3) at high temperature and high pressure
room temperature after heating
_database_code_amcsd 0000930
5.0889 5.0889 14.0933 90 90 120 R-3
atom      x      y      z Biso
Fe        0      0 .35542 0.57
Ti        0      0 .14645 0.47
O    .31745 .02345 .24485 0.58
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Ilmenite
Download hom/ilmenite.pdf
Wechsler B A, Prewitt C T
Download am/vol69/AM69_176.pdf
American Mineralogist 69 (1984) 176-185
Crystal structure of ilmenite (FeTiO3) at high temperature and high pressure
1 atm
_database_code_amcsd 0000931
5.0875 5.0875 14.0827 90 90 120 R-3
atom      x      y      z  Biso
Fe        0      0 .35540 0.625
Ti        0      0 .14638 0.505
O    .31719 .02340 .24502 0.620
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Ilmenite
Download hom/ilmenite.pdf
Wechsler B A, Prewitt C T
Download am/vol69/AM69_176.pdf
American Mineralogist 69 (1984) 176-185
Crystal structure of ilmenite (FeTiO3) at high temperature and high pressure
25.4 kbar
_database_code_amcsd 0000932
5.0691 5.0691 13.9849 90 90 120 R-3
atom      x      y      z Biso
Fe        0      0 .35562 0.68
Ti        0      0 .14637 0.53
O    .31596 .02301 .24537 0.61
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Ilmenite
Download hom/ilmenite.pdf
Wechsler B A, Prewitt C T
Download am/vol69/AM69_176.pdf
American Mineralogist 69 (1984) 176-185
Crystal structure of ilmenite (FeTiO3) at high temperature and high pressure
34.6 kbar
_database_code_amcsd 0000933
5.0635 5.0635 13.9518 90 90 120 R-3
atom      x      y      z Biso
Fe        0      0 .35530 0.63
Ti        0      0 .14650 0.50
O    .31657 .02284 .24520 0.63
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Ilmenite
Download hom/ilmenite.pdf
Wechsler B A, Prewitt C T
Download am/vol69/AM69_176.pdf
American Mineralogist 69 (1984) 176-185
Crystal structure of ilmenite (FeTiO3) at high temperature and high pressure
46.1 kbar
_database_code_amcsd 0000934
5.0561 5.0561 13.9115 90 90 120 R-3
atom      x      y      z Biso
Fe        0      0 .35580 0.63
Ti        0      0 .14644 0.52
O    .31649 .02165 .24545 0.65
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Magnetite
Download hom/magnetite.pdf
Wechsler B A, Lindsley D H, Prewitt C T
Download am/vol69/AM69_754.pdf
American Mineralogist 69 (1984) 754-770
Crystal structure and cation distribution in titanomagnetites (Fe3-xTixO4)
MT100-1350
_database_code_amcsd 0000945
8.3958 8.3958 8.3958 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z Biso
FeA   .125  .125  .125 0.37
FeB     .5    .5    .5 0.47
O    .2547 .2547 .2547 0.64
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View JMOL 3-D Structure
 
Titanomagnetite
 
Wechsler B A, Lindsley D H, Prewitt C T
Download am/vol69/AM69_754.pdf
American Mineralogist 69 (1984) 754-770
Crystal structure and cation distribution in titanomagnetites (Fe3-xTixO4)
USP25-1350
_database_code_amcsd 0000946
8.4237 8.4237 8.4237 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  occ Biso
FeA    .125   .125   .125      0.46
FeB      .5     .5     .5 .875 0.51
TiB      .5     .5     .5 .125 0.51
O    .25519 .25519 .25519      0.62
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Titanomagnetite
 
Wechsler B A, Lindsley D H, Prewitt C T
Download am/vol69/AM69_754.pdf
American Mineralogist 69 (1984) 754-770
Crystal structure and cation distribution in titanomagnetites (Fe3-xTixO4)
USP25-1350, 800A
_database_code_amcsd 0000947
8.4236 8.4236 8.4236 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  occ Biso
FeA    .125   .125   .125      0.46
FeB      .5     .5     .5 .875 0.41
TiB      .5     .5     .5 .125 0.41
O    .25520 .25520 .25520      0.65
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View JMOL 3-D Structure
 
Titanomagnetite
 
Wechsler B A, Lindsley D H, Prewitt C T
Download am/vol69/AM69_754.pdf
American Mineralogist 69 (1984) 754-770
Crystal structure and cation distribution in titanomagnetites (Fe3-xTixO4)
USP50-1350
_database_code_amcsd 0000948
8.4625 8.4625 8.4625 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z occ Biso
FeA    .125   .125   .125     0.58
FeB      .5     .5     .5 .75 0.43
TiB      .5     .5     .5 .25 0.43
O    .25702 .25702 .25702     0.73
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Titanomagnetite
 
Wechsler B A, Lindsley D H, Prewitt C T
Download am/vol69/AM69_754.pdf
American Mineralogist 69 (1984) 754-770
Crystal structure and cation distribution in titanomagnetites (Fe3-xTixO4)
USP50-1350 (77 K)
_database_code_amcsd 0000949
8.440 8.440 8.440 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z occ Biso
FeA    .125   .125   .125     0.43
FeB      .5     .5     .5 .75 0.13
TiB      .5     .5     .5 .25 0.13
O    .25654 .25654 .25654     0.57
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Titanomagnetite
 
Wechsler B A, Lindsley D H, Prewitt C T
Download am/vol69/AM69_754.pdf
American Mineralogist 69 (1984) 754-770
Crystal structure and cation distribution in titanomagnetites (Fe3-xTixO4)
USP50-1350, 800A
_database_code_amcsd 0000950
8.4628 8.4628 8.4628 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z occ Biso
FeA    .125   .125   .125     0.64
FeB      .5     .5     .5 .75 0.55
TiB      .5     .5     .5 .25 0.55
O    .25704 .25704 .25704     0.85
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Titanomagnetite
 
Wechsler B A, Lindsley D H, Prewitt C T
Download am/vol69/AM69_754.pdf
American Mineralogist 69 (1984) 754-770
Crystal structure and cation distribution in titanomagnetites (Fe3-xTixO4)
USP75-1350
_database_code_amcsd 0000951
8.5073 8.5073 8.5073 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  occ Biso
FeA    .125   .125   .125      0.67
FeB      .5     .5     .5 .625 0.57
TiB      .5     .5     .5 .375 0.57
O    .25919 .25919 .25919      0.94
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Titanomagnetite
 
Wechsler B A, Lindsley D H, Prewitt C T
Download am/vol69/AM69_754.pdf
American Mineralogist 69 (1984) 754-770
Crystal structure and cation distribution in titanomagnetites (Fe3-xTixO4)
USP75-1350, 800A
_database_code_amcsd 0000952
8.507 8.507 8.507 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  occ Biso
FeA    .125   .125   .125      0.75
FeB      .5     .5     .5 .625 0.60
TiB      .5     .5     .5 .375 0.60
O    .25912 .25912 .25912      1.06
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Titanomagnetite
 
Wechsler B A, Lindsley D H, Prewitt C T
Download am/vol69/AM69_754.pdf
American Mineralogist 69 (1984) 754-770
Crystal structure and cation distribution in titanomagnetites (Fe3-xTixO4)
USP100-1200
_database_code_amcsd 0000953
8.5348 8.5348 8.5348 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z occ Biso
FeA    .125   .125   .125     0.84
FeB      .5     .5     .5  .5 0.64
TiB      .5     .5     .5  .5 0.64
O    .26038 .26038 .26038     1.34
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View JMOL 3-D Structure
 
Qandilite
Download hom/qandilite.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 0009832
8.4376 8.4376 8.4376 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
MgM1   .125   .125   .125 .998  .0035  .0035  .0035      0      0      0
TiM1   .125   .125   .125 .002  .0035  .0035  .0035      0      0      0
MgM2     .5     .5     .5 .501  .0026  .0026  .0026 -.0003 -.0003 -.0003
TiM2     .5     .5     .5 .499  .0026  .0026  .0026 -.0003 -.0003 -.0003
O    .26049 .26049 .26049       .0072  .0072  .0072 -.0018 -.0018 -.0018
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View JMOL 3-D Structure
 
Qandilite
Download hom/qandilite.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 = 773 K
_database_code_amcsd 0009833
5.9748 5.9748 8.414 90 90 90 P4_122
atom      x     y     z  occ  Uiso
Mg    .2527 .2527  .375      .0051
TiM1      0 .2444     0 .085 .0032
MgM1      0 .2444     0 .915 .0032
TiM2     .5 .2402     0 .915 .0032
MgM2     .5 .2402     0 .085 .0032
O1   -.0261 .7377 .2522      .0050
O2    .5182 .2605 .2330      .0062
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Geikielite
Download hom/geikielite.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
_database_code_amcsd 0009834
5.05478 5.05478 13.8992 90 90 120 R-3
atom      x      y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg        0      0 .35570  .0050  .0050  .0055  .0025      0      0
Ti        0      0 .14510  .0035  .0035  .0042  .0018      0      0
O    .31591 .02146 .24635  .0040  .0041  .0059  .0016  .0010  .0013
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View JMOL 3-D Structure
 
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
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View JMOL 3-D Structure
 
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
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Total number of retrieved datasets: 29
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