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Zinkosite |
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Kokkoros P A, Rentzeperis P J |
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Acta Crystallographica 11 (1958) 361-364 |
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The crystal structure of the anhydrous sulphates of copper and zinc |
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_database_code_amcsd 0009208 |
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8.58 6.73 4.77 90 90 90 Pnma |
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atom x y z |
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Zn 0 0 0 |
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S .186 .25 .458 |
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O1 .130 .25 .75 |
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O2 .367 .25 .458 |
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O3 .130 .072 .319 |
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SnSO4 |
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Rentzeperis P J |
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Zeitschrift fur Kristallographie 117 (1962) 431-436 |
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The crystal structure of the anhydrous stannous sulphate |
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_database_code_amcsd 0010603 |
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8.799 5.319 7.115 90 90 90 Pnma |
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atom x y z |
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Sn .208 .25 .222 |
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S .069 .25 .694 |
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O1 -.083 .25 .597 |
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O2 .194 .25 .550 |
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O3 .088 .020 .819 |
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Hodgkinsonite |
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Rentzeperis P J |
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Zeitschrift fur Kristallographie 119 (1963) 117-138 |
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The crystal structure of hodgkinsonite Zn2Mn[(OH)2|SiO4] |
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Locality: Franklin, New Jersey |
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Note: y(H2) corrected |
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_database_code_amcsd 0010606 |
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8.170 5.316 11.761 90 95.25 90 P2_1/a |
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atom x y z Biso |
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Zn1 .2732 .0657 .0788 .864 |
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Zn2 .6084 .0623 .2491 .886 |
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Mn1 .1063 .2420 .5482 .541 |
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Si .0673 .0666 .8292 .137 |
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O1 .1067 .0810 .1911 .52 |
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O2 .1657 .0405 .7151 .40 |
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O3 .8193 .0702 .0660 .45 |
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O4 .5384 .1441 .8621 .26 |
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O5 .4902 .0892 .3836 .49 |
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O6 .8491 .0882 .5560 .56 |
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H1 .466 .260 .333 2.5 |
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H2 .842 -.083 .600 2.5 |
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Fe2(SO4)3 |
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Christidis P C, Rentzeperis P J |
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Zeitschrift fur Kristallographie 141 (1975) 233-245 |
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The crystal structure of the monoclinic Fe2(SO4)3 |
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_database_code_amcsd 0010775 |
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8.2955 8.5332 11.6304 90 90.25 90 P2_1/n |
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atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Fe1 .74909 .46575 .61655 .32 .0038 .0041 .0043 -.0001 .0000 -.0005 |
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Fe2 .75297 .03475 .38433 .37 .0044 .0043 .0053 .0010 -.0001 -.0003 |
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S1 .03835 .25224 .49506 .34 .0031 .0032 .0065 .0005 .0004 .0007 |
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S2 .60408 .38148 .34898 .31 .0042 .0038 .0036 .0005 -.0002 .0003 |
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S3 .60802 .11527 .64571 .34 .0050 .0043 .0039 -.0010 -.0006 .0003 |
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O1 .0903 .1266 .5739 .70 .0084 .0077 .0106 .0035 .0001 .0044 |
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O2 .9396 .1894 .3998 .80 .0096 .0116 .0094 -.0050 -.0030 -.0005 |
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O3 .1817 .3292 .4479 .67 .0053 .0072 .0131 -.0013 .0039 .0018 |
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O4 .9457 .3648 .5623 .79 .0085 .0074 .0143 .0050 .0041 -.0030 |
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O5 .7121 .4793 .2805 .81 .0107 .0141 .0061 -.0065 .0008 .0023 |
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O6 .4360 .4180 .3200 .67 .0054 .0113 .0089 .0053 -.0015 -.0027 |
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O7 .6353 .4113 .4712 .71 .0101 .0144 .0027 -.0009 -.0021 -.0016 |
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O8 .6281 .2140 .3236 .76 .0123 .0043 .0129 .0035 -.0041 -.0017 |
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O9 .6335 .0024 .7384 .74 .0131 .0082 .0070 -.0023 -.0049 .0056 |
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O10 .7109 .0722 .5487 1.03 .0158 .0159 .0074 -.0018 .0049 -.0039 |
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O11 .4367 .1129 .6113 .90 .0071 .0102 .0171 -.0028 -.0043 .0063 |
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O12 .6536 .2726 .6860 .67 .0149 .0035 .0070 -.0046 .0007 .0003 |
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Laurionite |
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Venetopoulos C C, Rentzeperis P J |
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Zeitschrift fur Kristallographie 141 (1975) 246-259 |
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The crystal structure of laurionite, Pb(OH)Cl |
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_database_code_amcsd 0010776 |
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9.6987 4.0203 7.1110 90 90 90 Pcmn |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Pb .08770 .25 .79736 1.32 .0048 .0112 .0069 0 .0027 0 |
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O .0422 .25 .1223 1.16 .0025 .0005 .0121 0 .0006 0 |
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H .11 .25 .223 3 |
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Cl .8202 .25 .5564 1.2 .0037 .0134 .0060 0 .0003 0 |
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Mikasaite |
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Christidis P C, Rentzeperis P J |
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Zeitschrift fur Kristallographie 144 (1976) 341-352 |
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The crystal structure of rhombohedral Fe2(SO4)3 |
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Sample: synthetic |
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_database_code_amcsd 0010786 |
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8.2362 8.2362 22.1786 90 90 120 R-3 |
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atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Fe1 0 0 .14411 .27 .00437 .00437 .00266 .00218 0 0 |
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Fe2 0 0 .35070 .31 .00426 .00426 .00339 .00215 0 0 |
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S .29044 .28818 .25072 .27 .00321 .00354 .00357 .00118 .00039 -.0012 |
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O1 .1943 .2048 .19382 .65 .0085 .0094 .0066 .0026 -.0050 -.0072 |
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O2 .2240 .1456 .29843 .74 .0084 .0101 .0098 .0043 .0071 .0082 |
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O3 .4922 .3634 .24358 .42 .0016 .0073 .0070 .0014 .0026 -.0010 |
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O4 .2527 .4393 .26590 .64 .0075 .0052 .0117 .0051 -.0023 -.0052 |
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Clinohedrite |
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Venetopoulos C C, Rentzeperis P J |
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Zeitschrift fur Kristallographie 144 (1976) 377-392 |
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Redetermination of the crystal structure of clinohedrite, CaZnSiO4*H2O |
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_database_code_amcsd 0010788 |
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5.090 15.829 5.386 90 103.26 90 Cc |
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atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca .3480 .5724 .6384 .22 .0028 .0027 .0026 0 .0005 0 |
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Zn 0 .24928 0 .22 .0028 .0021 .0033 0 -.0005 0 |
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Si .0139 .3618 .5183 .06 .0004 .0010 .0013 0 .0005 0 |
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O1 .1410 .2934 .3476 .39 .0040 .0053 .0045 0 .0015 0 |
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O2 .1279 .3406 .8155 .40 .0087 .0045 .0022 0 -.0010 0 |
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O3 .1067 .5459 .9479 .32 .0055 .0024 .0046 0 .0035 0 |
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Oh1 .1415 .9591 .8564 .70 .0067 .0077 .0112 0 .0032 0 |
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Oh2 .1876 .1443 .9489 .29 .0003 .0048 .0060 0 .0004 0 |
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H1 .186 .916 .725 .66 .0084 .0084 .0084 0 .0019 0 |
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H2 .320 .986 .942 .66 .0084 .0084 .0084 0 .0019 0 |
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Laphamite |
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Stergiou A C, Rentzeperis P J |
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Zeitschrift fur Kristallographie 173 (1985) 185-191 |
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The crystal structure of arsenic selenide, As2Se3 |
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Locality: synthetic |
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_database_code_amcsd 0010945 |
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12.0774 9.9037 4.2835 90 90.458 90 P2_1/n |
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atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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As1 .2362 .1967 .1113 1.27 .0149 .0184 .0182 .0006 .0001 -.0011 |
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As2 .0108 .3253 -.3810 1.18 .0159 .0164 .0183 -.0011 -.0013 -.0009 |
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Se1 .0977 .1182 .4726 1.38 .0172 .0144 .0232 .0019 .0019 .0003 |
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Se2 .1534 .4104 -.0257 1.48 .0201 .0159 .0236 -.0027 -.0031 -.0002 |
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Se3 .3785 .2981 .4436 1.29 .0143 .0205 .0193 -.0006 -.0005 -.0005 |
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