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: 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