Omongwaite
	Freyer D, Reck G, Bremer M, Voigt W
	Monatshefte fur Chemie 130 (1999) 1179-1193
	Thermal behaviour and crystal structure of sodium-containing hemihydrates
	of calcium sulfate
	Note: subcell
	Locality: synthetic
	_database_code_amcsd 0014668
	12.0890 6.903 6.3537 90 90.089 90 C2
	atom x y z occ Uiso
	Ca(1) .2685 .1884 .6671 .033
	Ca(2) 0 -.0066 0 .572 .021
	Na(2) 0 -.0066 0 .428 .021
	S(1) 0 .0040 .5 .019
	S(2) .2726 .1842 .1690 .017
	O(1) .0710 .1244 .6354 .037
	O(2) .1782 .1464 .0203 .043
	O(3) .3691 .2302 .0422 .041
	O(4) .2453 .3417 .3020 .042
	O(5) .2988 .0143 .2934 .034
	O(6) .0655 -.1235 .3584 .034
	Wat .0430 .5030 .3120 .71 .119
	Na(3) 0 .3880 0 .428 .100
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Omongwaite
	Freyer D, Reck G, Bremer M, Voigt W
	Monatshefte fur Chemie 130 (1999) 1179-1193
	Thermal behaviour and crystal structure of sodium-containing hemihydrates
	of calcium sulfate
	Note: supercell
	Locality: synthetic
	_database_code_amcsd 0014669
	24.1781 13.805 12.7074 90 90.089 90 C2
	atom x y z occ Uiso
	Ca .1399 .0987 .3338 .042
	Ca .1275 .6020 .3348 .052
	Ca .3615 .0879 .1673 .029
	Ca .3706 .5935 .1652 .050
	Ca .3867 .3413 .3341 .031
	Ca .3813 .8405 .3352 .044
	Ca .1115 .3490 .1656 .042
	Ca .1198 .8499 .1628 .061
	Ca .5 .0089 0 .519 .022
	Na .5 .0089 0 .48 .022
	Ca .5 -.0155 .5 .806 .037
	Na .5 -.0155 .5 .18 .037
	Ca .5 .4838 0 .856 .026
	Na .5 .4838 0 .15 .026
	Ca .5 .5092 .5 .335 .010
	Na .5 .5092 .5 .66 .010
	Ca .2469 .2448 .0014 .320 .021
	Na .2469 .2448 .0014 .693 .021
	Ca .2528 .2438 .4989 .710 .033
	Na .2528 .2438 .4989 .288 .033
	Na .5 .7150 0 .15 .700
	Na .5 .7341 .5 .66 .280
	Na .5 .2380 0 .48 .510
	Na .5 .2164 .5 .18 .260
	Na .2772 .4685 -.0345 .69 .281
	Na .2285 .4702 .5200 .29 .310
	S .5029 .5017 .2474 .027
	S .4967 .0013 .2543 .026
	S .2500 .2572 .2505 .025
	S .2503 .7454 .2502 .027
	S .1357 .0966 .0826 .026
	S .1378 .5953 .0832 .024
	S .3645 .0908 .4177 .026
	S .3620 .5899 .4164 .022
	S .3843 .3385 .0814 .031
	S .3888 .8440 .0872 .024
	S .1159 .3431 .4194 .013
	S .1123 .8464 .4134 .022
	O .5437 .5630 .3016 .052
	O .5313 .0589 .3258 .098
	O .4574 .0645 .1970 .027
	O .4699 .5621 .1736 .041
	O .2886 .3188 .3115 .024
	O .2841 .8061 .3233 .059
	O .2129 .3173 .1882 .073
	O .2166 .8085 .1824 .151
	O .0857 .0733 .0209 .115
	O .0960 .5639 .0053 .044
	O .4172 .0888 .4778 .070
	O .4068 .5753 .4945 .042
	O .3315 .3362 .0214 .044
	O .3426 .8314 .0124 .055
	O .1643 .3197 .4854 .074
	O .1539 .8123 .4889 .061
	O .1818 .1170 .0111 .058
	O .1889 .6237 .0284 .043
	O .3190 .1147 .4912 .069
	O .3123 .6248 .4719 .066
	O .4291 .3630 .0078 .052
	O .4387 .8778 .0310 .053
	O .0684 .3611 .4901 .049
	O .0614 .8766 .4674 .056
	O .1251 .1781 .1523 .027
	O .1156 .6741 .1479 .027
	O .3671 .1658 .3358 .140
	O .3791 .6605 .3370 1.136
	O .3807 .4118 .1642 .140
	O .3743 .9167 .1675 .140
	O .1268 .4264 .3536 .041
	O .1339 .9259 .3489 .019
	O .1497 .0095 .1462 .039
	O .1505 .5116 .1542 .043
	O .3551 -.0045 .3695 .085
	O .3496 .4963 .3650 .111
	O .3942 .2426 .1286 .068
	O .4010 .7596 .1370 .097
	O .1030 .2580 .3525 .070
	O .0973 .7631 .3432 .052
	O .5323 -.0427 .1709 .032
	O .5310 .4266 .1854 .018
	O .4658 .4571 .3264 .072
	O .4676 -.0754 .3111 .020
	O .2820 .1927 .1799 .085
	O .2867 .6836 .1873 .089
	O .2197 .1968 .3272 .042
	O .2144 .6854 .3171 .053
	Wat1 .5251 .7411 .1572 .093
	Wat2 .5218 .2150 .2060 .69 .122
	Wat3 .4767 .2694 .3470 .099
	Wat4 .4780 .7950 .3440 .22 .220
	Wat5 .2757 .0270 .1580 .52 .119
	Wat6 .2628 .5190 .1261 .45 .150
	Wat7 .2232 .9800 .3347 .93 .128
	Wat8 .2268 .4784 .3442 .96 .121
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