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Hopeite |
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Hill R J, Jones J B |
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American Mineralogist 61 (1976) 987-995 |
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The crystal structure of hopeite |
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_database_code_amcsd 0000533 |
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10.597 18.318 5.031 90 90 90 Pnma |
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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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Zn1 .26365 .25 .07280 .00261 .00129 .01055 0 -.00038 0 |
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Zn2 .14273 .49915 .20780 .00219 .00098 .00887 -.00003 -.00001 -.00015 |
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P .39710 .40580 .22561 .00258 .00072 .00932 .00011 -.00020 .00017 |
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Wat1 .1065 .75 .2579 .0036 .0018 .0139 0 -.0008 0 |
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Wat2 .1143 .25 .3480 .0028 .0028 .0178 0 .0018 0 |
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Wat3 .3367 .6695 .3372 .0045 .0016 .0267 .0007 .0015 .0004 |
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O4 .3599 .3275 .2838 .0055 .0010 .0145 -.0008 -.0027 .0006 |
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O5 .1003 .5795 .4283 .0094 .0013 .0117 .0012 -.0023 -.0009 |
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O6 .0250 .4217 .1433 .0026 .0011 .0259 -.0003 .0010 -.0010 |
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OH7 .3013 .4597 .3597 .0029 .0014 .0120 .0006 -.0014 -.0011 |
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Hopeite |
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Whitaker A |
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Acta Crystallographica B31 (1975) 2026-2035 |
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The crystal structure of hopeite, Zn3(PO4)2*4H2O |
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Locality: synthetic |
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_database_code_amcsd 0009537 |
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10.629 18.339 5.040 90 90 90 Pnma |
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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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Zn1 .23618 .25 .57284 .00215 .00144 .01151 0 .00042 0 |
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Zn2 .14267 -.00087 .20768 .00077 .00070 .00393 .00000 .00001 -.00015 |
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P .10285 .09421 .72589 .00133 .00043 .00425 .00008 .00017 -.00019 |
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O4 .14010 .17265 .78465 .00413 .00080 .00993 -.00051 .00318 -.00068 |
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O5 .10004 .07994 .42983 .00822 .00106 .00268 .00132 -.00230 -.00059 |
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O6 .47552 .07867 .64140 .00054 .00078 .02113 -.00017 -.00091 .00123 |
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O7 .19796 .04067 .86067 .00098 .00088 .00724 .00041 .00186 .00071 |
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Wat1 .10737 .25 .25730 .00214 .00190 .00760 0 -.00162 0 |
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Wat2 .38614 .25 .84901 .00092 .00244 .01550 0 -.00191 0 |
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Wat3 .33521 .16977 .33917 .00295 .00143 .01971 .00080 .00099 .00110 |
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View JMOL 3-D Structure (permalink) |
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Hopeite |
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Herschke L, Enkelmann V, Lieberwirth I, Wenger G |
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Chemistry - A European Journal 10 (2004) 2795-2803 |
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The role of hydrogen bonding in the crystal structures of zinc phosphate hydrates |
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Note: alpha-hopeite |
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Locality: synthetic |
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_database_code_amcsd 0019555 |
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5.0135 10.6044 18.2828 90 90 90 Pbnm |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Zn1 .20717 .14307 -.00067 .0117 .0112 .01066 .01319 .00021 -.00067 -.00092 |
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O1 .8577 .1978 .03995 .0144 .0156 .0124 .0152 .001 .001 .003 |
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P1 .7245 .1026 .09440 .0116 .0113 .0145 .0090 .0003 -.0005 .0003 |
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O2 .1445 .0251 -.07816 .0190 .0339 .0105 .0125 .0019 -.0040 -.002 |
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O3 .4258 .1007 .08039 .0259 .0095 .055 .0131 -.0048 -.0027 .0096 |
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O4 .7859 .1394 .17282 .0197 .0180 .0284 .0128 .0087 -.0027 -.0063 |
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Zn2 .57418 .23703 .25 .0131 .0124 .0107 .0161 .0009 0 0 |
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O5 .2590 .1073 .25 .0175 .0154 .0158 .0213 -.0032 0 0 |
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O6 .8517 .3851 .25 .0223 .018 .0123 .037 .0002 0 0 |
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O7 .3367 .3365 .16948 .0231 .0319 .0188 .0185 .0021 -.0011 .0062 |
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H1 .1044 .1004 .30067 .05 |
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H2 .9960 .3675 .25 .05 |
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H3 .8410 .4597 .25 .05 |
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H4 .4353 .3818 .14014 .05 |
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H5 .3650 .2623 .14142 .05 |
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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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Hopeite |
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Herschke L, Enkelmann V, Lieberwirth I, Wenger G |
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Chemistry - A European Journal 10 (2004) 2795-2803 |
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The role of hydrogen bonding in the crystal structures of zinc phosphate hydrates |
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Note: beta-hopeite |
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Locality: synthetic |
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_database_code_amcsd 0019556 |
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5.0266 10.6060 18.2946 90 90 90 Pbnm |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Zn1 .20746 .35707 -.00075 .0133 .0130 .0146 .0123 -.0005 -.0007 .00042 |
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Zn2 .42690 .73637 -.25 .0158 .0155 .0157 .0161 -.0012 0 0 |
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P1 .2747 .60280 -.09423 .0124 .0130 .0171 .0071 -.0003 -.0007 -.0010 |
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O1 .1438 .4748 -.07816 .0213 .036 .0153 .0122 -.0028 -.0049 .0006 |
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O2 .3584 .1986 -.03994 .0163 .0160 .0159 .0171 .0027 -.0058 -.0038 |
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O3 .4277 .3995 .0800 .0295 .015 .057 .0165 .0071 -.0043 -.0119 |
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O4 .2154 .6400 -.1725 .0204 .0187 .033 .0089 -.0053 -.0019 .0066 |
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O5 .742 .6065 -.249833 .0230 .020 .024 .025 .004 0 0 |
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O6 .1515 .8861 -.25 .0270 .0500 .0500 .0500 0 0 0 |
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O7 .6657 .8363 -.3306 .0277 .023 .019 .039 .004 0 0 |
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H1 .722 .4990 -.250167 .05 |
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H2 -.0279 .8612 -.25 .05 |
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H3 .2224 .9842 -.25 .05 |
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H4 .5559 .9045 -.3525 .05 |
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H5 .6313 .7738 -.3621 .05 |
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| Download AMC data (View Text File)
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Hopeite |
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Haussuhl S, Middendorf B, Dorffel M |
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Journal of Solid State Chemistry 93 (1991) 9-16 |
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Structure and properties of hopeites (MgxZn1-x)3(PO4)2*4H2O |
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Locality: synthetic |
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_database_code_amcsd 0013717 |
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10.594 18.333 5.029 90 90 90 Pnma |
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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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MgM .26247 .25 .0729 .62 .0186 .0174 .0214 .0170 0 -.0006 0 |
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ZnM .26247 .25 .0729 .38 .0186 .0174 .0214 .0170 0 -.0006 0 |
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Zn .14241 .49897 .20834 .0124 .0124 .0133 .0115 -.0003 .0002 -.0008 |
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P .39693 .40469 .2270 .0111 .0141 .0088 .0103 .0007 -.0006 .0005 |
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O4 .3591 .3273 .2820 .0196 .030 .0114 .0173 -.0062 -.0093 .0021 |
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O5 .0997 .5792 .4305 .0268 .051 .0167 .0126 .011 -.004 -.0039 |
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O6 .0253 .4218 .1415 .0203 .0124 .0156 .033 -.0025 .0038 -.0046 |
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O7 .3009 .4597 .3619 .0156 .0133 .0207 .0129 .0049 -.0025 -.0038 |
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Wat1 .1065 .75 .2581 .0223 .019 .030 .018 0 -.004 0 |
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Wat2 .1145 .25 .3450 .0273 .017 .043 .022 0 .005 0 |
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Wat3 .3361 .6700 .3394 .0257 .027 .021 .029 .0075 .006 .001 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Hopeite |
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Kawahara A, Takano Y, Takahashi M |
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Mineralogical Journal 7 (1973) 289-297 |
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The structure of hopeite |
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Locality: synthetic |
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_database_code_amcsd 0014414 |
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10.553 18.199 5.031 90 90 90 Pnma |
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atom x y z Biso |
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Zn1 .26384 .25 .4277 1.08 |
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Zn2 .14295 .00072 .2934 .87 |
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P .39705 .09448 .2751 .87 |
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O1 .3028 .0411 .1318 1.02 |
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O2 .5252 .0785 .1334 1.43 |
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O3 .3611 .1728 .2133 1.63 |
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O4 .3994 .0807 .5691 2.01 |
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Wat5 .1633 .1690 .6602 1.98 |
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Wat6 .3922 .25 .7409 1.87 |
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Wat7 .1136 .25 .1565 2.11 |
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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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