Mannardite
Szymanski J T
The Canadian Mineralogist 24 (1986) 67-78
The crystal structure of mannardite, a new hydrated cryptomelane-group
(hollandite) mineral with a doubled short axis
_database_code_amcsd 0005210
14.357 14.357 5.908 90 90 90 *I4_1/a
0 .25 .125
atom      x      y      z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba1       0    .25   .625 .114  .0213  .0213  .0292      0      0      0
Ba2       0    .25  .5474 .028  .0213  .0213  .0292      0      0      0
Ba3       0    .25   .125 .808  .0191  .0191  .0189      0      0      0
Ba4       0    .25  .0525 .028  .0191  .0191  .0189      0      0      0
Ti1  .24452 .34237 .12453 .746  .0079  .0062  .0052  .0002 -.0006 -.0020
V1   .24452 .34237 .12453  .22  .0079  .0062  .0052  .0002 -.0006 -.0020
Cr1  .24452 .34237 .12453 .034  .0079  .0062  .0052  .0002 -.0006 -.0020
Ti2  .59098 .50933 .12613 .746  .0061  .0092  .0054 -.0008  .0022 -.0008
Cr2  .59098 .50933 .12613  .22  .0061  .0092  .0054 -.0008  .0022 -.0008
V2   .59098 .50933 .12613 .034  .0061  .0092  .0054 -.0008  .0022 -.0008
O1   .32008 .22580 .12611       .0062  .0061  .0067  .0001  .0017  .0004
O2   .35252 .56283 .12194       .0082  .0077  .0063  .0032  .0025  .0039
O3   .18545 .10368 .12477       .0082  .0085  .0064  .0032  .0041 -.0027
O4   .47578 .43039 .12928       .0057  .0067  .0058  .0002  .0000  .0013
Wat1      0    .25   .625  .83  .0213  .0213  .0292      0      0      0
Wat2      0    .25   .125 .136  .0191  .0191  .0189      0      0      0