Important Update News

The RRUFF Project is being updated to improve its interface and content. The beta version of the update is accessible to the public at RRUFF.net. New data is only being added to the beta site. Please note that it is in development, and some components are not functional. Existing RRUFF.info links will resolve to the new site after RRUFF.net is officially released.

We are grateful to NASA for the funding of this effort.

American Mineralogist Crystal Structure Database

11 matching records for this search.

Rutile
Download hom/rutile.pdf
Swope R J, Smyth J R, Larson A C
Download am/vol80/AM80_448.pdf
American Mineralogist 80 (1995) 448-453
H in rutile-type compounds: I. Single-crystal neutron and X-ray diffraction
study of H in rutile
Sample: neutron; natural, T = 24 K
_database_code_amcsd 0001735
4.587 4.587 2.954 90 90 90 P4_2/mnm
atom     x     y z  occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ti       0     0 0  .96       .0006  .0006  .0005 -.0009      0      0
Nb       0     0 0 .011       .0006  .0006  .0005 -.0009      0      0
Cr       0     0 0 .012       .0006  .0006  .0005 -.0009      0      0
Al       0     0 0 .011       .0006  .0006  .0005 -.0009      0      0
Fe       0     0 0 .008       .0006  .0006  .0005 -.0009      0      0
O    .3045 .3045 0            .0028  .0028  .0030 -.0015      0      0
H      .42   .50 0 .027 .450
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Rutile
Download hom/rutile.pdf
Swope R J, Smyth J R, Larson A C
Download am/vol80/AM80_448.pdf
American Mineralogist 80 (1995) 448-453
H in rutile-type compounds: I. Single-crystal neutron and X-ray diffraction
study of H in rutile
Sample: X-ray; natural, T = 300 K
_database_code_amcsd 0001736
4.5940 4.5940 2.9586 90 90 90 P4_2/mnm
atom      x      y z occ U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3) U(2,3)
Ti        0      0 0 .91  .0072  .0072  .0045 -.00008      0      0
Al        0      0 0 .08  .0072  .0072  .0045 -.00008      0      0
Nb        0      0 0 .01  .0072  .0072  .0045 -.00008      0      0
Cr        0      0 0 .01  .0072  .0072  .0045 -.00008      0      0
O    .30495 .30495 0      .0057  .0057  .0044 -.00211      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)
 
Rutile
Download hom/rutile.pdf
Swope R J, Smyth J R, Larson A C
Download am/vol80/AM80_448.pdf
American Mineralogist 80 (1995) 448-453
H in rutile-type compounds: I. Single-crystal neutron and X-ray diffraction
study of H in rutile
Sample: X-ray; synthetic, T = 300 K
_database_code_amcsd 0001737
4.5922 4.5922 2.9574 90 90 90 P4_2/mnm
atom      x      y z  occ U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3) U(2,3)
Ti        0      0 0 .992 .00682 .00682 .00500 -.00012      0      0
O    .30496 .30496 0       .0054  .0054  .0047 -.00163      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)
 
Rutile
Download hom/rutile.pdf
Meagher E P, Lager G A
Download cm/vol17/CM17_77.pdf
The Canadian Mineralogist 17 (1979) 77-85
Polyhedral thermal expansion in the TiO2 polymorphs: Refinement
of the crystal structure of rutile and brookite at high temperature
Sample at 25 degrees C
_database_code_amcsd 0005164
4.593 4.593 2.959 90 90 90 P4_2/mnm
atom     x     y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ti       0     0 0  .42  .0065  .0065  .0046 -.0001      0      0
O    .3051 .3051 0   .6  .0077  .0077  .0098 -.0014      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)
 
Rutile
Download hom/rutile.pdf
Meagher E P, Lager G A
Download cm/vol17/CM17_77.pdf
The Canadian Mineralogist 17 (1979) 77-85
Polyhedral thermal expansion in the TiO2 polymorphs: Refinement
of the crystal structure of rutile and brookite at high temperature
Sample at 300 degrees C
_database_code_amcsd 0005165
4.603 4.603 2.966 90 90 90 P4_2/mnm
atom     x     y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ti       0     0 0  .86  .0128  .0128  .0117 -.0001      0      0
O    .3045 .3045 0  .81  .0119  .0119  .0119 -.0030      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)
 
Rutile
Download hom/rutile.pdf
Meagher E P, Lager G A
Download cm/vol17/CM17_77.pdf
The Canadian Mineralogist 17 (1979) 77-85
Polyhedral thermal expansion in the TiO2 polymorphs: Refinement
of the crystal structure of rutile and brookite at high temperature
Sample at 600 degrees C
_database_code_amcsd 0005166
4.616 4.616 2.977 90 90 90 P4_2/mnm
atom     x     y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ti       0     0 0 1.31  .0184  .0184  .0224 -.0001      0      0
O    .3045 .3045 0 1.29  .0177  .0177  .0243 -.0029      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)
 
Rutile
Download hom/rutile.pdf
Meagher E P, Lager G A
Download cm/vol17/CM17_77.pdf
The Canadian Mineralogist 17 (1979) 77-85
Polyhedral thermal expansion in the TiO2 polymorphs: Refinement
of the crystal structure of rutile and brookite at high temperature
Sample at 900 degrees C
_database_code_amcsd 0005167
4.623 4.623 2.986 90 90 90 P4_2/mnm
atom     x     y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ti       0     0 0 1.59  .0211  .0211  .0322 -.0011      0      0
O    .3052 .3052 0  1.5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Rutile
Download hom/rutile.pdf
Baur W H
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0365-110X&volume=9&spage=515
Acta Crystallographica 9 (1956) 515-520
Uber die verfeinerung der kristallstrukturbestimmung einiger vertreter
des rutiltyps: TiO2, SnO2, GeO2 und MgF2
_database_code_amcsd 0009161
4.594 4.594 2.959 90 90 90 P4_2/mnm
atom    x    y z Biso
Ti      0    0 0   .7
O    .306 .306 0   .7
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Rutile
Download hom/rutile.pdf
Baur W H, Khan A A
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=27&spage=2133
Acta Crystallographica B27 (1971) 2133-2139
Rutile-type compounds. VI.
SiO2, GeO2 and a comparison with other rutile-type structures
_database_code_amcsd 0009404
4.5941 4.5941 2.9589 90 90 90 P4_2/mnm
atom     x     y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ti       0     0 0  .0068  .0068  .0175 -.0001      0      0
O    .3057 .3057 0  .0075  .0075  .0176 -.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)
 
Rutile
Download hom/rutile.pdf
Howard C J, Sabine T M, Dickson F
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=47&spage=462
Acta Crystallographica B47 (1991) 462-468
Structural and thermal parameters for rutile and anatase
Locality: synthetic
_database_code_amcsd 0019092
4.5937 4.5937 2.9587 90 90 90 P4_2/mnm
atom      x      y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ti        0      0      0  .0068 -.0004      0  .0068      0  .0046
O    .30478 .30478      0  .0052 -.0020      0  .0052      0  .0035
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Rutile
Download hom/rutile.pdf
Wyckoff R W G
 
Crystal Structures 1 (1963) 239-444
Second edition. Interscience Publishers, New York, New York
_database_code_amcsd 0011762
4.59373 4.59373 2.95812 90 90 90 P4_2/mnm
atom     x     y z
Ti       0     0 0
O    .3053 .3053 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)
 
Download in:

Multiple datasets can be concatenated into a single downloadable file by selecting the datasets and then clicking

Multiple datasets can be downloaded as individual files inside a ZIP archive by selecting the datasets and then clicking

Total number of retrieved datasets: 11
View in amc, download in amc

Return to AMCSD Home Page