Harmotome Stuckenschmidt E, Fuess H, Kvick A European Journal of Mineralogy 2 (1990) 861-874 Investigation of the structure of harmotome by X-ray (293 K, 100 K) and neutron diffraction (15 K) Sample: 15 K _database_code_amcsd 0006411 9.884 14.100 8.655 90 124.59 90 P2_1/m atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Ba .8271 1/4 .1945 .69 .0095 .0070 .0098 0 .0041 0 SiT1 .7322 .0052 .2913 .63 .36 .0051 .0057 .0029 .0028 .0017 0.00 AlT1 .7322 .0052 .2913 .30 .36 .0051 .0057 .0029 .0028 .0017 0.00 SiT2 .4150 .1387 .0409 .72 .55 .0056 .0059 .0092 .0006 .0041 -.0007 AlT2 .4150 .1387 .0409 .25 .55 .0056 .0059 .0092 .0006 .0041 -.0007 SiT3 .0463 .0281 .2838 .61 .46 .0081 .0036 .0058 -.0035 .0034 -.0017 AlT3 .0463 .0281 .2838 .33 .46 .0081 .0036 .0058 -.0035 .0034 -.0017 SiT4 .0897 .1414 .0117 .71 .47 .0075 .0051 .0054 -.0008 .0055 .0014 AlT4 .0897 .1414 .0117 .23 .47 .0075 .0051 .0054 -.0008 .0055 .0014 O1 .0554 .1232 .1749 .99 .0155 .0103 .0117 -.0035 .0099 -.0025 O2 .6726 .5955 .1725 1.44 .0244 .0167 .0136 .0076 .0114 .0054 O3 .5867 .0854 .1945 1.86 .0206 .0257 .0243 .0137 .0096 .0062 O4 .0203 .9300 .1660 1.22 .0203 .0124 .0136 -.0036 .0111 -.0053 O5 .8904 .0526 .2993 .97 .0136 .0116 .0116 .0007 .0082 .0008 O6 .2877 .3704 .1073 1.42 .0120 .0241 .0176 -.0016 .0099 -.0050 O7 .7820 .5195 .5045 1.33 .0120 .0249 .0138 -.0007 .0069 -.0035 O8 .5366 3/4 .9614 1.41 .0165 .0108 .0263 0 .0158 0.00 O9 .0292 1/4 .9316 1.17 .0161 .0106 .0177 0 .0098 0 O10 .8463 3/4 .4555 1.91 .0406 .0165 .0151 0 .0027 0 H1 .2043 .1969 .6238 2.99 .0418 .0252 .0464 .0008 .0109 .0084 O20 .1928 3/4 .4942 2.38 .0304 .0458 .0142 0 .0030 0 H2 .2702 .7065 .5020 .39 6.07 .0069 .129 .0331 .055 .0330 .0166 H22 .1131 3/4 .3656 5.28 .0399 .140 .0207 0 .0056 0 O30 .3330 .6373 .1280 3.12 .0381 .0539 .0263 .0094 .0077 .0204 H3 .4538 .6242 .1546 .45 4.52 .0571 .0620 .0525 .0204 .0366 .0188 H33 .3792 .6402 .2429 .92 10.71 .108 .253 .0456 .0900 .0517 .0700 H333 .2753 .5925 .1496 .60 12.18 .179 .210 .074 -.123 -.019 .081 O40 .4165 .2035 .4928 .21 4.63 .0223 .129 .0241 .0346 .0170 .0043 H40 .4205 .1665 .3826 .66 11.99 .1516 .246 .0590 -.040 .059 -.031 H400 .3199 .2190 .4850 .21 4.39 .044 .067 .055 .015 .017 .001 O41 .5318 1/4 .4913 .18 3.94 .0141 .113 .0033 0 .0068 0 O50 .4681 .5514 .4607 .45 8.64 .0454 .241 .0421 .059 .0311 .031 H50 .4042 .5348 .4849 .43 8.15 .084 .148 .078 .004 .031 .076 H500 .4190 .0276 .5073 .42 9.61 .062 .236 .067 -.069 .038 -.075 O51 .4062 .6350 .4681 .17 3.44 .054 .046 .0313 -.005 .03 -.0005