Whewellite
	Tazzoli V, Domeneghetti M C
	American Mineralogist 65 (1980) 327-334
	The crystal structures of whewellite and weddellite: re-examination and
	comparison
	_database_code_amcsd 0000776
	6.290 14.583 10.116 90 109.46 90 P2_1/c
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Ca1 .9676 .1243 .0546 0.67 .00615 .00080 .00151 .00015 .00164 .00004
	Ca2 .9968 .1236 .4357 0.66 .00600 .00084 .00145 -.00001 .00161 -.00001
	C1 .9832 .3201 .2452 0.80 .00875 .00038 .00251 -.00023 .00210 .00007
	C2 .0009 .4270 .2492 0.77 .00756 .00098 .00143 -.00001 .00186 -.00011
	C3 .5189 .1266 .1812 1.07 .00592 .00177 .00256 -.00010 .00170 -.00004
	C4 .4505 .1173 .3131 1.08 .00630 .00190 .00237 -.00010 .00207 -.00002
	O1 .9756 .2826 .1322 1.16 .01518 .00091 .00211 -.00028 .00334 -.00027
	O2 .0066 .4659 .1395 1.14 .01471 .00086 .00231 -.00017 .00361 .00015
	O3 .9799 .2819 .3550 1.17 .01596 .00088 .00213 -.00040 .00348 .00004
	O4 .0073 .4658 .3614 1.21 .01574 .00091 .00242 -.00040 .00364 -.00037
	O5 .3614 .1418 .0690 2.20 .00672 .00553 .00262 .00067 .00137 .00094
	O6 .7245 .1227 .1974 1.16 .00601 .00219 .00259 .00025 .00214 .00014
	O7 .2438 .1229 .2957 1.31 .00490 .00268 .00293 .00002 .00190 -.00014
	O8 .6073 .1068 .4264 2.24 .00661 .00577 .00254 .00087 .00160 .00053
	H11 .4870 .3720 .0510 .85 5.00
	H21 .5100 .3640 .4260 .86 5.00
	H22 .5300 .3670 .3200 .86 5.00
	OW1 .3932 .3459 .1022 .85 1.81 .01124 .00317 .00358 .00052 .00298 .00099
	OW2 .5913 .3829 .3908 .86 4.48 .00834 .01332 .00280 -.00019 .00196 -.00091
	OW10 .388 .396 .099 .15 1.8
	OW20 .584 .409 .392 .14 4.5
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