Gibbsite
	Balan E, Lazzeri M, Morin G, Mauri F
	American Mineralogist 91 (2006) 115-119
	First-principles study of the OH-stretching modes of gibbsite
	Locality: hypothetical structure calculated with DFT
	_database_code_amcsd 0003998
	8.742 5.112 9.801 90 94.54 90 P2_1/n
	atom x y z
	Al1 .168 .531 -.003
	Al2 .336 .025 -.003
	O1 .174 .219 -.112
	O2 .669 .655 -.103
	O3 .498 .133 -.106
	O4 -.020 .632 -.108
	O5 .303 .716 -.105
	O6 .822 .146 -.102
	H1 .072 .138 -.123
	H2 .574 .551 -.102
	H3 .494 .108 -.207
	H4 -.049 .817 -.113
	H5 .300 .718 -.206
	H6 .807 .162 -.203
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