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1 matching records for this search.

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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Total number of retrieved datasets: 1
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