Kainite
	Robinson P D, Fang J H, Ohya Y
	American Mineralogist 57 (1972) 1325-1332
	The crystal structure of kainite
	Locality: Stassfurt, Germany
	_database_code_amcsd 0000291
	19.72 16.23 9.53 90 94.92 90 C2/m
	atom x y z Biso
	K1 .19158 .5 .4203 1.80
	K2 .19318 0 .9398 1.56
	K3 .19487 .3064 .8483 2.00
	S1 .09695 .3308 .5175 .69
	S2 .09805 .1672 .0136 .75
	Mg1 0 .5 .5 .87
	Mg2 0 0 0 1.00
	Mg3 .25000 .25 .5 1.14
	Mg4 .00026 .2484 .2481 1.00
	Cl1 .21470 0 .2730 2.45
	Cl2 .13985 0 .6231 2.27
	Cl3 .17890 .3892 .1357 2.35
	O1 .0710 .2317 .9152 1.30
	O2 .0707 .2694 .4142 1.37
	O3 .0749 .3107 .6569 1.29
	O4 .0734 .4133 .4744 1.52
	O5 .0715 .0859 .9646 1.56
	O6 .0760 .1844 .1552 1.14
	O7 .1721 .3316 .5261 1.25
	O8 .1722 .1668 .0183 1.34
	Wat1 .0399 0 .2197 1.65
	Wat2 .0193 .5 .7192 1.42
	Wat3 .2133 .1727 .6510 2.19
	Wat4 .0259 .3588 .1468 1.48
	Wat5 .0200 .1354 .6489 1.74
	Wat6 .1963 .1849 .3438 1.80
	Wat7 .1454 .5 .8430 4.49
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	Kainite
	Borisov A S, Siidra O I, Ugolkov V L, Kuznetsov A N, Firsova V A, Charkin D O, Platonova N V, Pekov I V
	Mineralogical Magazine 86 (2022) 37-48
	Complex hydrogen bonding and thermal behaviour over a wide temperature range
	of kainite KMg(SO4)Cl*2.75H2O
	Note: T = 100 K
	Locality: Wilhelmshall, Halberstadt, Saxony-Anhalt, Germany
	_database_code_amcsd 0021072
	19.6742 16.18240 9.49140 90 94.8840 90 C2/m
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	K1 .19146 .5 .41940 .00972 .0086 .0101 .0108 0 .00303 0
	K2 .19274 0 .93944 .00870 .0079 .0091 .0094 0 .00215 0
	K3 .19459 .30633 .84773 .01079 .00961 .01477 .00804 -.00289 .00105 -.00005
	Mg1 0 .5 .5 .0056 .0043 .0061 .0064 0 .0011 0
	Mg2 0 0 0 .0060 .0052 .0063 .0066 0 .0015 0
	Mg3 .25 .25 .5 .00650 .0054 .0070 .0072 .0006 .0017 .0000
	Mg4 .00014 .24850 .24822 .00590 .0051 .0074 .0053 .0002 .0006 -.0005
	S1 .09713 .33123 .51696 .00498 .00396 .0060 .00497 .00030 .00056 .00014
	S2 -.09851 .16750 -.01353 .00515 .00431 .0062 .00502 .00003 .00069 .00004
	Cl1 .21237 0 .27354 .01229 .0153 .0112 .0105 0 .0013 0
	Cl2 .13966 0 .62304 .01103 .0102 .0109 .0121 0 .00190 0
	Cl3 .17902 .38978 .13560 .01358 .00884 .0162 .0160 -.00235 .00302 -.00495
	O1 .07142 .23267 .91539 .0081 .0075 .0086 .0079 .0002 -.0002 .0012
	O2 .07127 .26847 .41419 .0087 .0074 .0100 .0084 .0000 -.0004 -.0017
	O3 .07516 .31213 .65747 .0087 .0081 .0121 .0063 -.0016 .0023 .0009
	O4 .07351 .41410 .47141 .0084 .0077 .0077 .0102 .0022 .0022 .0017
	O5 .07163 .08636 .96308 .0082 .0085 .0065 .0097 -.0011 .0020 -.0015
	O6 .07652 .18429 .15636 .0081 .0076 .0106 .0063 .0013 .0018 -.0010
	O7 .17258 .33261 .52621 .0074 .0049 .0072 .0100 .0005 .0009 -.0004
	O8 .17301 .16660 .01779 .0080 .0052 .0097 .0093 .0004 .0008 .0006
	OW1 .04007 0 .21913 .0095 .0095 .0113 .0079 0 .0018 0
	OW2 .02095 .5 .71999 .0091 .0089 .0111 .0073 0 .0008 0
	OW3 .21256 .17391 .65194 .0124 .0120 .0111 .0145 .0001 .0032 .0033
	OW4 .02579 .35847 .14657 .0088 .0082 .0085 .0098 .0000 .0019 -.0004
	OW5 .01978 .13549 .64843 .0096 .0088 .0096 .0104 .0020 .0013 -.0002
	OW6 .19665 .18599 .34253 .0107 .0078 .0115 .0124 .0017 -.0020 -.0030
	OW7 .14690 .5 .8420 .0434 .0126 .106 .0111 0 -.0012 0
	H1A .0910 0 .231 .065
	H1B .014 0 .305 .065
	H2A .0706 .5 .753 .065
	H2B 0 .5 .812 .065
	H3A .2469 .150 .724 .065
	H3B .1823 .1249 .634 .065
	H4A .0758 .365 .140 .065
	H4B .0040 .4039 .198 .065
	H5A .0646 .1068 .651 .065
	H5B -.0084 .0939 .695 .065
	H6A .2006 .1254 .327 .065
	H6B .1528 .205 .293 .065
	H7A .1921 .5 .801 .065
	H7B .149 .5 .9473 .065
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