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Hemimorphite |
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Libowitzky E, Kohler T, Armbruster T, Rossman G R |
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European Journal of Mineralogy 9 (1997) 803-810 |
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Proton disorder in dehydrated hemimorphite - IR spectroscopy |
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and X-ray structure refinement at low and ambient temperatures |
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T = 110 K |
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_database_code_amcsd 0006696 |
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8.181 10.841 5.081 90 90 90 Imm2 |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Zn .78969 .84232 0 .00475 .00602 .00367 .00458 -.00075 -.00007 .00008 |
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Si 0 .85672 .4908 .00384 .0052 .0026 .0037 0 0 -.0003 |
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O1 .8362 .7964 .3649 .0060 .0086 .0065 .0052 -.0036 -.0008 .0008 |
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O2 0 .8416 .8084 .0060 .0067 .0066 .0049 0 0 .0004 |
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O3 .6826 0 .9453 .0129 .0075 .0044 .0267 0 -.0007 0 |
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O4 0 0 .3967 .0066 .0102 .0026 .0071 0 0 0 |
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H3 .69 0 .759 .5 .05 |
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H3' .569 0 .98 .5 .05 |
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Hemimorphite |
|
Libowitzky E, Kohler T, Armbruster T, Rossman G R |
| |
European Journal of Mineralogy 9 (1997) 803-810 |
|
Proton disorder in dehydrated hemimorphite - IR spectroscopy |
|
and X-ray structure refinement at low and ambient temperatures |
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T = 293 K |
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_database_code_amcsd 0006697 |
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8.191 10.824 5.088 90 90 90 Imm2 |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Zn .79052 .84184 0 .00926 .01076 .00916 .00756 -.00181 -.0002 .00024 |
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Si 0 .85625 .4917 .00635 .0079 .0059 .0053 0 0 .0004 |
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O1 .8371 .7960 .3645 .0120 .0141 .0141 .0080 -.0068 -.0024 .0026 |
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O2 0 .8402 .8074 .0104 .0100 .0154 .0059 0 0 .0009 |
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O3 .6842 0 .9490 .0206 .0153 .0101 .036 0 -.0042 0 |
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O4 0 0 .3992 .0119 .0186 .0048 .0124 0 0 0 |
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H3 .65 0 .772 .5 .05 |
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H3' .569 0 .94 .5 .05 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
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Hemimorphite |
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Ito T, West J |
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Zeitschrift fur Kristallographie 83 (1932) 1-8 |
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The Structure of Hemimorphite (H2 Zn2 Si O5) |
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_cod_database_code 1011257 |
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_database_code_amcsd 0018118 |
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8.38 10.7 5.11 90 90 90 Imm2 |
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atom x y z |
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Si1 0 .16 0 |
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Zn1 .3 .342 .01 |
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O1 0 0 0 |
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O2 .161 .187 .85 |
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O3 0 .187 .305 |
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O4 .25 .5 .85 |
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O5 0 .5 .35 |
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
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Hemimorphite |
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McDonald W S, Cruickshank D W J |
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Zeitschrift fur Kristallographie 124 (1967) 180-191 |
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Refinement of the structure of hemimorphite |
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Locality: sample is from the same batch of crystals used by |
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Barclay and Cox (1960) |
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Note: Photographic Data |
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_database_code_amcsd 0010635 |
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8.373 10.718 5.12 90 90 90 Imm2 |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Zn .2044 .1611 0 .013 .016 .016 -.0025 -.002 -.001 |
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Si 0 .1474 .5083 .012 .014 .009 0 0 .000 |
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O1 .1585 .2089 .6370 .013 .020 .021 -.012 -.006 -.0085 |
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O2 0 .1687 .1909 .012 .017 .015 0 0 .0015 |
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OH3 .3088 0 .0396 .029 .014 .050 0 .000 0 |
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O4 0 0 .5816 .022 .018 .031 0 0 0 |
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Wat5 .5 0 .5051 .070 .191 .009 0 0 0 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
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| |
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Hemimorphite |
|
McDonald W S, Cruickshank D W J |
|
Zeitschrift fur Kristallographie 124 (1967) 180-191 |
|
Refinement of the structure of hemimorphite |
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Locality: sample is from the same batch of crystals used by |
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Barclay and Cox (1960) |
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Note: Diffractometer Data |
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_database_code_amcsd 0010636 |
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8.373 10.718 5.12 90 90 90 Imm2 |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Zn .2044 .1612 0 .008 .012 .012 -.0025 .001 .0005 |
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Si 0 .1463 .5054 .005 .009 .009 0 0 -.001 |
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O1 .1590 .2067 .6378 .005 .020 .015 -.0065 -.001 .0015 |
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O2 0 .1656 .1909 .007 .024 .016 0 0 -.003 |
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OH3 .3071 0 .0356 .025 .009 .037 0 -.0085 0 |
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O4 0 0 .5896 .014 .011 .016 0 0 0 |
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Wat5 .5 0 .509 .040 .140 .062 0 0 0 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
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Hemimorphite |
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Hill R J, Gibbs G V, Ross F K, Williams J M |
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Zeitschrift fur Kristallographie 146 (1977) 241-259 |
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A neutron-diffraction study of hemimorphite |
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_database_code_amcsd 0010798 |
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8.367 10.73 5.115 90 90 90 Imm2 |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Zn .2047 .1613 0 .0029 .0020 .0066 -.0005 -.0001 .0003 |
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Si 0 .1465 .5076 .0023 .0013 .0045 0 0 .0000 |
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O1 .1602 .2055 .6362 .0038 .0026 .0070 -.0017 -.0009 .0009 |
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O2 0 .1669 .1938 .0027 .0033 .0055 0 0 .0004 |
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O3 .3050 0 .0410 .0050 .0018 .0271 0 -.0030 0 |
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O4 0 0 .5912 .0054 .0010 .0124 0 0 0 |
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O5 .5 0 .5195 .0164 .0227 .0221 0 0 0 |
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H35 .3740 0 .1904 .0154 .0056 .0692 0 -.0224 0 |
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H53 .4256 0 .6432 .0247 .0247 .1163 0 .0102 0 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
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