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: 293 K
_database_code_amcsd 0006409
9.8688 14.1295 8.7092 90 124.74 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 .8620 1/4 .1946 1.82 .0306 .0153 .0233 0 .0161 0
SiT1 .7363 .0235 .2848 .65 .75 .0079 .0119 .0086 .0012 .0039 -.0003
AlT1 .7363 .0235 .2848 .35 .75 .0079 .0119 .0086 .0012 .0039 -.0003
SiT2 .4211 .1410 .0148 .84 .70 .0077 .0075 .0113 .0009 .0049 -.0000
AlT2 .4211 .1410 .0148 .16 .70 .0077 .0075 .0113 .0009 .0049 -.0000
SiT3 .0578 .0086 .2901 .70 .84 .0095 .0132 .0091 .0000 .0061 .0009
AlT3 .0578 .0086 .2901 .30 .84 .0095 .0132 .0091 .0000 .0061 .0009
SiT4 .1187 .1391 .0341 .77 .92 .0126 .0095 .0129 -.0004 .0097 .0008
AlT4 .1187 .1391 .0341 .23 .92 .0126 .0095 .0129 -.0004 .0097 .0008
O1 .1002 .0928 .1927 2.80 .0373 .0413 .0278 -.0092 .0227 .0077
O2 .6485 .5746 .1674 1.67 .0240 .0197 .0196 .0054 .0107 .0064
O3 .6127 .1172 .1784 1.40 .0137 .0204 .0189 .0059 .0054 .0001
O4 .0060 .9083 .1738 1.89 .0244 .0263 .0211 -.0013 .0088 -.0090
O5 .9050 .0526 .2965 1.47 .0151 .0194 .0213 .0021 .0119 .0018
O6 .3111 .3692 .1001 2.04 .0187 .0330 .0257 -.0043 .0164 -.0043
O7 .7785 .4879 .4963 1.69 .0163 .0317 .0163 -.0036 .0099 -.0025
O8 .5845 3/4 .0524 1.91 .0347 .0111 .0268 0 .0207 0
O9 .0640 1/4 .0230 2.15 .0230 .0172 .0415 0 .0190 0
O10 .8041 3/4 .4924 4.50 .0605 .0747 .0356 0 .0167 0
O20 .1158 3/4 .4645 4.04 .0899 .0277 .0358 0 .0343 0
O30 .3010 .8627 .1271 4.69 .0613 .0749 .0420 -.0095 .0254 -.0225
O40 .512 1/4 .486 17.4 .211 .388 .0603 0 .0304 0
O50 .496 .562 .474 11.3 .0505 .314 .0656 .0459 .0334 .0850
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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: 100 K
_database_code_amcsd 0006410
9.841 14.085 8.680 90 124.78 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 .8661 1/4 .1958 .98 .0160 .0076 .0137 0 .0089 0
SiT1 .7370 .0264 .2844 .65 .51 .0070 .0055 .0067 -.0003 .0028 -.0008
AlT1 .7370 .0264 .2844 .35 .51 .0070 .0055 .0067 -.0003 .0028 -.0008
SiT2 .4221 .1416 .0123 .84 .43 .0046 .0025 .0092 .0015 .0031 -.0005
AlT2 .4221 .1416 .0123 .16 .43 .0046 .0025 .0092 .0015 .0031 -.0005
SiT3 .0596 .0060 .2917 .70 .62 .0085 .0076 .0073 .0005 .0046 .0015
AlT3 .0596 .0060 .2917 .30 .62 .0085 .0076 .0073 .0005 .0046 .0015
SiT4 .1247 .1387 .0383 .77 .58 .0090 .0053 .0079 .0016 .0055 .0012
AlT4 .1247 .1387 .0383 .23 .58 .0090 .0053 .0079 .0016 .0055 .0012
O1 .1058 .0858 .1922 2.63 .0337 .0297 .0263 -.0078 .0201 .0053
O2 .6460 .5717 .1649 1.07 .0158 .0070 .0178 .0004 .0085 .0040
O3 .6159 .1223 .1753 .82 .0110 .0062 .0138 .0021 .0059 .0016
O4 .0015 .9054 .1751 1.38 .0168 .0190 .0165 .0007 .0065 -.0036
O5 .9091 .0532 .3005 .94 .0116 .0141 .0099 .0035 .0043 .0054
O6 .3183 .3689 .1038 1.42 .0149 .0213 .0178 -.0071 .0106 -.0051
O7 .7764 .4830 .4952 1.19 .0150 .0146 .0156 -.0021 .0099 -.0009
O8 .5956 3/4 .0660 1.09 .0177 .0017 .0221 0 .0131 0
O9 .0728 1/4 .0328 1.79 .0167 .0205 .0306 0 .0164 0
O10 .8033 3/4 .4971 2.78 .0336 .0438 .0282 0 .0103 0
O20 .1085 3/4 .4592 2.33 .0517 .0188 .0180 0 .0155 0
O30 .2971 .8633 .1275 3.73 .0570 .0513 .0335 -.0071 .0281 -.0139
O40 .5027 1/4 .4855 13.5 .221 .246 .0595 0 .010 0
O50 .4926 .565 .4661 6.5 .0389 .137 .0721 .0165 .0328 .047
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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
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Harmotome
Rinaldi R, Pluth J J, Smith J V
Acta Crystallographica B30 (1974) 2426-2433
Zeolites of the phillipsite family. Refinement of the crystal structure of
phillipsite and harmotome
_database_code_amcsd 0009519
9.879 14.139 8.693 90 124.81 90 P2_1/m
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ba .86290 .25 .19441 5.5 .009783 .001515 .009986 0 .006095 0
Ca .5869 .6286 .4799 .15 .029292 .014182 .045237 -.001714 -.001710 .002682
Al1 .7367 .0248 .2840 .31 .82
Si1 .7367 .0248 .2840 .69 .82
Al2 .4214 .1410 .0136 .31 .77
Si2 .4214 .1410 .0136 .69 .77
Al3 .0577 .0075 .2898 .31 .78
Si3 .0577 .0075 .2898 .69 .78
Al4 .1216 .1390 .0375 .31 .85
Si4 .1216 .1390 .0375 .69 .85
O1 .1042 .0896 .1958 2.45
O2 .6470 .5726 .1679 1.8
O3 .6163 .1186 .1792 1.58
O4 .0050 .9083 .1711 2.05
O5 .9057 .0515 .2955 1.47
O6 .3137 .3709 .1017 1.84
O7 .7808 .4856 .4976 1.68
O8 .5885 .75 .0573 1.76
O9 .0661 .25 .0256 1.99
Wat1 .8004 .75 .4889 5.5 .020279 .007947 .012647 0 .006411 0
Wat2 .1148 .75 .4593 4.8 .027414 .003301 .014592 0 .010685 0
Wat3 .3027 .8628 .1324 5.8 .018777 .008436 .017997 -.001286 .009830 -.003170
Wat4 .4611 .75 .5134 47 .048068 .079466 .012160 0 .007693 0
Wat5 .5 .5 .5 35 .022157 .103917 .067612 -.010928 .029490 -.034140
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