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