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