Legrandite
	Hawthorne F C, Abdu Y A, Tait K T
	The Canadian Mineralogist 51 (2013) 233-241
	Hydrogen bonding in the crystal structure of legrandite: Zn2(AsO4)(OH)(H2O)
	Locality: Tsumeb mine, Namibia
	_database_code_amcsd 0020158
	12.8052 7.9249 10.2173 90 104.4329 90 P2_1/c
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Zn(1) .40327 .04976 .38962 .01127 .01089 .01209 .01040 .00177 .00185 .00014
	Zn(2) .25255 .33083 .46242 .01033 .01025 .00927 .01152 .00041 .00282 -.00071
	Zn(3) .36202 .80578 .12765 .01284 .01449 .01042 .01209 -.00093 .00046 .00182
	Zn(4) .01007 .24192 .44038 .01313 .01113 .01557 .01250 -.00091 .00259 -.00073
	As(1) .14963 .05491 .21980 .00768 .00802 .00822 .00689 -.00007 .00203 -.00034
	As(2) .38529 .42165 .21410 .00770 .00833 .00779 .00740 .00002 .00278 .00019
	O(1) .26801 .9532 .26147 .0127 .0100 .0124 .0145 .0030 .0005 -.0022
	O(2) .13880 .1602 .07322 .0121 .0108 .0165 .0094 .0021 .0035 .0049
	O(3) .13303 .1895 .34154 .0128 .0114 .0152 .0127 -.0019 .0047 -.0065
	O(4) .04897 .9126 .20262 .0132 .0133 .0137 .0127 -.0049 .0036 -.0023
	O(5) .47910 .9513 .24071 .0131 .0090 .0164 .0129 .0020 .0012 -.0043
	O(6) .35330 .3422 .05675 .0141 .0178 .0168 .0085 -.0080 .0047 -.0037
	O(7) .34595 .2901 .31982 .0120 .0151 .0102 .0131 .0009 .0078 .0034
	O(8) .32021 .6062 .21800 .0157 .0220 .0096 .0193 .0051 .0124 .0037
	O(9) .07895 .5313 .1396 .0238 .0233 .0217 .0290 .0059 .0117 .0092
	O(10) .44584 .6626 .01455 .0118 .0128 .0112 .0116 .0003 .0037 .0002
	O(11) .27353 .5767 .46950 .0119 .0141 .0111 .0108 -.0024 .0040 -.0009
	O(12) .08807 .7338 .4346 .0219 .0199 .0294 .0193 .0090 .0101 .0088
	H(1) .461 .748 -.047 .05
	H(2) .267 .622 .379 .05
	H(3) .1576 .543 .163 .05
	H(4) .054 .468 .208 .05
	H(5) .060 .774 .3417 .05
	H(6) .150 .659 .444 .05
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)

Download in: Amc Format Cif Format Diffraction data

Multiple datasets can be concatenated into a single downloadable file by selecting the datasets and then clicking

Multiple datasets can be downloaded as individual files inside a ZIP archive by selecting the datasets and then clicking