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