Rutile
Swope R J, Smyth J R, Larson A C
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