Bideauxite
	Cooper M A, Hawthorne F C, Merlino S, Pasero M, Perchiazzi N
	The Canadian Mineralogist 37 (1999) 915-921
	Stereoactive lone-pair behavior of Pb in the crystal structure of
	bideauxite: Pb2AgCl3F(OH)
	Sample: CH
	_database_code_amcsd 0005624
	14.1273 14.1273 14.1273 90 90 90 *Fd-3m
	.125 .125 .125
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Pb .22185 .22185 .22185 .0206 .0206 .0206 -.0038 -.0038 -.0038
	Ag 1/2 1/2 1/2 .0340 .0340 .0340 .0101 .0101 .0101
	Cl .8380 1/8 1/8 .0360 .0219 .0219 0 0 -.0014
	OH .0548 .0548 .0548 .5 .0158 .0158 .0158 -.0012 -.0012 -.0012
	F .0548 .0548 .0548 .5 .0158 .0158 .0158 -.0012 -.0012 -.0012
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Bideauxite
	Cooper M A, Hawthorne F C, Merlino S, Pasero M, Perchiazzi N
	The Canadian Mineralogist 37 (1999) 915-921
	Stereoactive lone-pair behavior of Pb in the crystal structure of
	bideauxite: Pb2AgCl3F(OH)
	Sample MPP
	_database_code_amcsd 0005625
	14.1376 14.1376 14.1376 90 90 90 *Fd-3m
	.125 .125 .125
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Pb .22192 .22192 .22192 .0303 .0303 .0303 -.0040 -.0040 -.0040
	Ag 1/2 1/2 1/2 .0446 .0446 .0446 .0110 .0110 .0110
	Cl .8375 1/8 1/8 .0444 .0317 .0317 0 0 -.0002
	OH .0539 .0539 .0539 .5 .0243 .0243 .0243 -.0005 -.0005 -.0005
	F .0539 .0539 .0539 .5 .0243 .0243 .0243 -.0005 -.0005 -.0005
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)

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