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NaMnFe2(PO4)3 |
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Hatert F, Keller P, Lissner F, Antenucci D, Fransolet A-M |
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European Journal of Mineralogy 12 (2000) 847-857 |
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First experimental evidence of alluaudite-like phosphates with high |
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Li-content: the (Na1-xLix)MnFe2(PO4)3 series (x= 0 to 1) |
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Sample: NaMnFe2(PO4)3 |
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12.018 12.565 6.415 90 114.33 90 C2/c |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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NaA2' 0 -.0107 1/4 .47 3.5 .018 .042 .036 0 .001 0 |
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NaA1 1/2 0 0 .53 3.83 .0430 .0074 .0273 .0004 -.0231 -.0009 |
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MnM1 0 .26237 1/4 .84 .0082 .0097 .0093 0 .0056 0 |
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FeM2 .28087 .65245 .37081 .55 .0055 .0061 .0055 -.00118 .00283 -.00128 |
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P1 0 -.28581 1/4 .43 .0045 .0049 .0029 0 .0010 0 |
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P2 .24182 -.10868 .13109 .50 .0060 .0046 .0044 -.0006 .0022 -.0006 |
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O1 .4533 .71552 .5332 .96 .0091 .0121 .0069 -.0002 .0027 -.0023 |
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O2 .0998 .63938 .2421 1.20 .0093 .0105 .0145 .0027 .0033 -.0032 |
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O3 .3289 .66403 .1033 1.06 .0148 .0099 .0065 -.0023 .0036 -.0014 |
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O4 .1224 .39788 .3148 1.31 .0096 .0111 .0199 .0012 .0073 -.0001 |
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O5 .2251 .82225 .3177 1.05 .0120 .0128 .0078 -.0010 .0053 .0018 |
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O6 .3127 .50206 .3763 1.30 .0161 .0084 .0144 -.0024 .0063 .0022 |
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Na.5Li.5MnFe2(PO4)3 |
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Hatert F, Keller P, Lissner F, Antenucci D, Fransolet A-M |
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European Journal of Mineralogy 12 (2000) 847-857 |
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First experimental evidence of alluaudite-like phosphates with high |
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Li-content: the (Na1-xLix)MnFe2(PO4)3 series (x= 0 to 1) |
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Sample: Na.5Li.5MnFe2(PO4)3 |
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11.988 12.500 6.392 90 114.67 90 C2/c |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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LiA2' 0 -.0106 1/4 .5 4.6 .030 .047 .046 0 -.002 0 |
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NaA2' 0 -.0106 1/4 .23 4.6 .030 .047 .046 0 -.002 0 |
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NaA1 1/2 0 0 .27 6.8 .065 .006 .055 .002 -.052 -.001 |
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MnM1 0 .26410 1/4 .85 .0090 .0095 .0091 0 .0061 0 |
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FeM2 .28030 .65277 .36868 .48 .0059 .0044 .0051 -.0007 .0031 -.0008 |
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P1 0 -.28733 1/4 .46 .0056 .0036 .0037 0 .0012 0 |
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P2 .24184 -.10815 .1330 .47 .0066 .0036 .0044 -.0001 .0026 -.0003 |
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O1 .4525 .7164 .5324 .97 .011 .011 .007 -.0005 .0036 -.0015 |
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O2 .0987 .6375 .2386 1.18 .009 .010 .014 .0010 .0030 -.0039 |
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O3 .3284 .6643 .1022 1.11 .017 .009 .006 -.0019 .0036 -.0009 |
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O4 .1221 .3994 .3096 1.50 .012 .012 .022 .0008 .0087 -.001 |
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O5 .2244 .8221 .3180 .98 .011 .012 .007 -.0008 .0045 .0015 |
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O6 .3148 .5023 .3772 1.27 .018 .007 .013 -.0018 .0057 .0010 |
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Ekatite |
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Keller P |
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European Journal of Mineralogy 13 (2001) 769-777 |
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Ekatite, (Fe3+,Fe2+,Zn)12(OH)6[AsO3]6[AsO3,HOSiO3]2, a new mineral |
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from Tsumeb, Namibia, and its crystal structure |
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Locality: Tsumeb, Namibia |
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12.773 12.773 5.051 90 90 120 P6_3mc |
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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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FeM1 .91549 .57285 .5935 .508 .0107 .0127 .0098 .0101 .0059 -.0002 .0008 |
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FeM2 .91549 .57285 .5935 .337 .0107 .0127 .0098 .0101 .0059 -.0002 .0008 |
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ZnM2 .91549 .57285 .5935 .150 .0107 .0127 .0098 .0101 .0059 -.0002 .0008 |
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As1 .71631 .85816 .6246 .50 .0077 .0075 .0070 .0085 .0038 -.0005 -.0002 |
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As2 2/3 1/3 .895 .768 .0071 .0074 .0074 .0064 .0037 0 0 |
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Si2 2/3 1/3 .837 .246 .0077 .0076 .0076 .0202 .0038 0 0 |
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O1 .6048 .8024 .886 .0185 .0164 .0252 .0109 .0082 .0054 .0027 |
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O2 .6559 .9339 .437 .0125 .0187 .0076 .0127 .0076 -.0061 -.0011 |
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O3 .5968 .1936 .723 .0216 .0215 .0043 .0334 .0021 -.0035 -.0070 |
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OH4 .0490 .5245 .778 .0129 .0104 .0117 .0163 .0052 .0040 .0020 |
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OH5 2/3 1/3 .166 .246 .0094 |
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H1 .01 .502 .60 |
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H2 2/3 1/3 .38810 .246 |
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Zincroselite |
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Keller P, Lissner F, Schleid T |
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European Journal of Mineralogy 16 (2004) 353-359 |
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The crystal structures of zincroselite and gaitite: Two natural |
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polymorphs of Ca2Zn[AsO4]2*2H2O from Tsumeb, Namibia |
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Locality: Tsumeb, Namibia |
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5.827 12.899 5.646 90 107.69 90 P2_1/c |
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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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CaA .5625 .12160 .2295 .0111 .0098 .0120 .0120 -.0010 .0039 -.0016 |
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ZnM 0 0 0 .86 .0142 .0118 .0150 .0150 .0002 .0026 -.0039 |
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MgM 0 0 0 .14 .0142 .0118 .0150 .0150 .0002 .0026 -.0039 |
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AsX .21853 .12058 .56501 .0093 .0089 .0097 .0089 .0001 .0020 .0002 |
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O1 .2843 .0540 .8375 .0148 .0112 .0146 .0179 .0035 .0033 .0007 |
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O2 .2396 .0358 .3423 .0127 .0120 .0129 .0120 .0004 .0021 .0033 |
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O3 .9446 .1734 .4952 .0142 .0142 .0138 .0150 -.0039 .0052 -.0002 |
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O4 .4394 .2064 .5696 .0143 .0136 .0154 .0142 -.0017 .0047 -.0053 |
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O5 .8157 .1393 .9634 .0130 .0147 .0122 .0114 -.0016 .0029 .0008 |
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H1 .898 .195 .986 .0177 |
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H2 .731 .148 .841 .0426 |
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Gaitite |
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Keller P, Lissner F, Schleid T |
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European Journal of Mineralogy 16 (2004) 353-359 |
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The crystal structures of zincroselite and gaitite: Two natural |
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polymorphs of Ca2Zn[AsO4]2*2H2O from Tsumeb, Namibia |
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Note: c cell edge corrected by authors |
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Locality: Tsumeb, Namibia |
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5.899 6.978 5.575 97.41 109.08 108.09 P-1 |
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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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CaA .29405 .76227 .65237 .0098 .0101 .0109 .0086 .0041 .0039 .0021 |
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ZnM 0 0 0 .58 .0089 .0093 .0089 .0093 .0044 .0038 .0019 |
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MgM 0 0 0 .42 .0089 .0093 .0089 .0093 .0044 .0038 .0019 |
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AsX .33451 .24613 .67138 .0072 .0074 .0077 .0070 .0032 .0027 .0022 |
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O1 .3429 .1298 .9218 .0112 .0106 .0141 .0110 .0055 .0047 .0065 |
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O2 .2401 .0504 .4010 .0130 .0146 .0138 .0086 .0067 .0019 -.0001 |
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O3 .1552 .3916 .6420 .0111 .0116 .0121 .0123 .0071 .0049 .0044 |
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O4 .6417 .3851 .7159 .0114 .0082 .0119 .0127 .0021 .0042 .0030 |
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O5 .9541 .2737 .0736 .0111 .0101 .0102 .0109 .0032 .0022 .0029 |
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H1 .088 .360 .133 .0220 |
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H2 .883 .294 .967 .0369 |
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Ferrorosemaryite |
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Hatert F, Lefevre P, Fransolet A M, Spirlet M R, |
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Rebbouh L, Fontan F, Keller P |
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European Journal of Mineralogy 17 (2005) 749-759 |
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Ferrorosemaryite, NaFe2+Fe3+Al(PO4)3, a new phosphate |
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mineral from the Rubindi pegmatite, Rwanda |
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Locality: Rubindi pegmatite, Rwanda |
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11.838 12.347 6.2973 90 114.353 90 P2_1/n |
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atom x y z occ Uiso |
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MnX1a .5 0 0 .366 .0267 |
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NaX1a .5 0 0 .135 .0267 |
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NaX1b .5 0 .5 .190 .026 |
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Fe2+M1 .00328 .26143 .26174 .665 .0083 |
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Fe3+M1 .00328 .26143 .26174 .246 .0083 |
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NaM1 .00328 .26143 .26174 .088 .0083 |
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AlM2a .28229 -.34426 .36563 .708 .0060 |
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Fe2+M2a .28229 -.34426 .36563 .155 .0060 |
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Fe3+M2a .28229 -.34426 .36563 .141 .0060 |
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FeM2b .21847 -.14873 .62250 .791 .0059 |
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AlM2b .21847 -.14873 .62250 .215 .0059 |
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P1 .00302 -.28623 .24047 .0068 |
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P2a .24165 -.10219 .12096 .0071 |
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P2b .24473 .11152 .64403 .0067 |
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O1a .4481 -.2835 .5168 .0095 |
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O1b .4531 -.7119 .0427 .0089 |
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O2a .1081 -.3549 .2316 .0129 |
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O2b .0936 -.6337 .7439 .0122 |
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O3a .3186 -.3317 .0944 .0101 |
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O3b .3339 -.6612 .6140 .0102 |
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O4a .1227 .4024 .3394 .0139 |
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O4b .1154 -.3969 .7783 .0137 |
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O5a .2302 -.1721 .3171 .0111 |
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O5b .2224 -.8169 .8274 .0098 |
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O6a .3122 -.4902 .3835 .0129 |
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O6b .3117 -.4998 .8723 .0123 |
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Stanekite |
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Keller P, Lissner F, Schleid T |
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European Journal of Mineralogy 18 (2006) 113-118 |
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The crystal structure of stanekite, (Fe3+,Mn2+,Fe2+,Mg)2[PO4]O, from Okatjimukuju, |
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Karibib (Namibia), and its relationship to the polymorphs of synthetic Fe2[PO4]O |
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Locality: Okatjimukuju, Karibib, Namibia |
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Note: Uiso(O4) corrected |
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11.835 6.328 9.983 90 105.81 90 I2/a |
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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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Fe1 .20327 .01560 .19583 .48 .0278 .0213 .0365 .0218 .0070 -.0003 -.0002 |
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Mn1 .20327 .01560 .19583 .49 .0278 .0213 .0365 .0218 .0070 -.0003 -.0002 |
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Fe2 .11265 .13956 .45334 .62 .0217 .0268 .0135 .0209 .0003 -.0002 .0002 |
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Mn2 .11265 .13956 .45334 .32 .0217 .0268 .0135 .0209 .0003 -.0002 .0002 |
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P .07306 .65435 .37918 .0190 .0181 .0148 .0213 -.0001 .0008 -.0002 |
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O1 .0530 .8381 .4701 .0290 .0413 .0193 .0230 .0033 .0032 -.0019 |
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O2 .4597 .3960 .2671 .0255 .0214 .0285 .0219 .0041 -.0017 .0061 |
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O3 .1705 .7064 .3109 .0333 .0307 .0336 .0356 -.0055 .0092 .0006 |
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O4 .1125 .4640 .4761 .0230 .0249 .0181 .0230 .0025 .0012 .0044 |
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O5 .2631 .1565 .3743 .0345 .0314 .0363 .0283 .0051 -.0050 -.0116 |
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Na(NaMn)7Mn22(PO4)18*0.5H2O |
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Keller P, Hatert F, Lissner F, Schleid T, Fransolet A M |
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European Journal of Mineralogy 18 (2006) 765-774 |
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Hydrothermal synthesis and crystal structure of Na(NaMn)7Mn22(PO4)18*0.5H2O, |
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a new compund of fillowite structure type |
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15.2741 15.2741 43.334 90 90 120 R-3 |
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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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Mn1 0 0 0 .0256 .0282 .0282 .0202 0 0 .0141 |
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Mn2 0 0 .5 .0162 .0167 .0167 .0153 0 0 .0083 |
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Mn3 0 0 .10018 .0179 .0177 .0177 .0182 0 0 .0088 |
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Mn4 0 0 .32434 .0158 .0166 .0166 .0142 0 0 .0083 |
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Mn5 0 0 .39899 .0172 .0172 .0172 .0174 0 0 .0086 |
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Mn6 .42812 .24537 .05085 .0210 .0192 .0275 .0179 -.0007 -.0002 .0129 |
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Mn7 .11219 .57486 .03720 .0206 .0196 .0241 .0183 .0008 -.0008 .0109 |
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Mn8 .00445 .32554 .08186 .0177 .0169 .0189 .0172 .0018 .0014 .0090 |
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Mn9 .26385 .32804 .08524 .0195 .0213 .0196 .0173 -.0003 -.0006 .0099 |
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Mn10 .57335 .08199 .12377 .0238 .0251 .0163 .0288 .0032 .0087 .0094 |
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Mn11 .22349 .10704 .13345 .0209 .0192 .0194 .0245 .0033 .0045 .0098 |
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Na12 .2758 .3010 .0003 .58 .0307 .033 .039 .025 -.006 -.002 .022 |
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Mn12 .2502 .2738 .00287 .42 .0307 .033 .039 .025 -.006 -.002 .022 |
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Na13 0 0 .17489 .28 .0210 .0226 .0226 .018 0 0 .0113 |
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Mn13 0 0 .17489 .05 .0210 .0226 .0226 .018 0 0 .0113 |
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Na21 0 0 .24893 .0313 .037 .037 .020 0 0 .0186 |
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Na31 .0829 .4296 .16468 .93 .0361 .058 .052 .021 .0050 .0022 .044 |
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Mn31 .0829 .4296 .16468 .07 .0361 .058 .052 .021 .0050 .0022 .044 |
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P1 .19002 .43219 .02818 .0171 .0193 .0181 .0144 .0010 .0007 .0097 |
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P2 .53382 .11384 .03978 .0176 .0214 .0169 .0154 .0017 .0022 .0103 |
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P3 .54159 .09200 .19919 .0171 .0177 .0159 .0170 -.0007 .0003 .0078 |
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P4 .21748 .12237 .20971 .0173 .0171 .0164 .0181 -.0017 -.0026 .0083 |
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P5 .22252 .46132 .22164 .0153 .0170 .0147 .0141 .0005 -.0001 .0078 |
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P6 .46731 .22037 .27971 .0189 .0166 .0207 .0203 -.0011 -.0003 .0101 |
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O1 .1537 .3801 -.00295 .0371 .059 .025 .019 -.003 -.004 .015 |
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O2 .2607 .5484 .02560 .0288 .034 .024 .018 .000 .001 .007 |
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O3 .2516 .3903 .0438 .0358 .035 .050 .034 .015 .008 .030 |
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O4 .0988 .4179 .04655 .0249 .021 .026 .028 .002 .002 .012 |
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O5 .4609 .1271 .06093 .0219 .021 .021 .023 .001 .006 .010 |
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O6 .5562 .0330 .05233 .0236 .024 .019 .028 .001 -.004 .011 |
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O7 .6371 .2142 .03960 .0242 .023 .020 .029 .005 .006 .011 |
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O8 .4887 .0896 .00756 .0315 .049 .032 .018 -.002 -.003 .024 |
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O9 .5391 .0315 .17090 .0272 .034 .023 .021 -.003 .005 .012 |
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O10 .6265 .2038 .19680 .0206 .020 .017 .022 .000 .003 .007 |
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O11 .4395 .0897 .20210 .0223 .018 .021 .028 .003 -.001 .009 |
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O12 .5519 .0422 .22887 .0219 .023 .021 .023 .002 -.002 .011 |
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O13 .2346 .0796 .18002 .0309 .042 .033 .022 -.009 -.005 .022 |
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O14 .1233 .1334 .20714 .0260 .018 .025 .036 -.002 -.006 .011 |
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O15 .8902 .2427 .11622 .0221 .022 .023 .024 .004 .004 .013 |
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O16 .1996 .0430 .23475 .0254 .034 .022 .021 .001 -.005 .014 |
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O17 .2673 .5280 .19369 .0272 .035 .021 .022 .004 .004 .011 |
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O18 .1045 .3993 .21904 .0205 .019 .022 .020 -.002 .000 .009 |
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O19 .2542 .3795 .22192 .0212 .025 .021 .020 -.001 -.001 .013 |
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O20 .2486 .5209 .25210 .0229 .030 .017 .020 -.003 -.003 .011 |
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O21 .5212 .2538 .2486 .0331 .024 .035 .034 .004 .009 .010 |
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O22 .3833 .1071 .27509 .0243 .022 .021 .027 -.001 .004 .009 |
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O23 .4132 .2799 .2869 .0325 .034 .032 .041 .007 .006 .023 |
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O24 .5330 .2237 .3061 .047 .051 .066 .043 -.027 -.028 .045 |
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Wat25 .585 .129 .3140 .16 .017 .03 .03 .010 .006 .001 .021 |
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Queitite |
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Hess H, Keller P |
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Zeitschrift fur Kristallographie 151 (1980) 287-299 |
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Die kristallstruktur von queitit, Pb4Zn2[SO4|SiO4|Si2O7] |
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Locality: Tsumeb mine, Namibia |
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11.362 5.266 12.655 90 108.16 90 P2_1 |
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atom x y z Biso |
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Pb1 .1508 0 .2167 1.04 |
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Pb2 .1836 .0153 .8712 .95 |
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Pb3 .5434 .0442 .8867 .93 |
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Pb4 .7324 .3885 .4377 1.27 |
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Zn1 .9195 .0088 .3540 .52 |
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Zn2 .6393 -.0211 .6125 .61 |
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S .8526 -.0067 .9675 .87 |
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Si1 .9225 .0196 .6245 .41 |
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Si2 .4855 -.0183 .3443 .48 |
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Si3 .6384 .0580 .1829 .4 |
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O1 .8944 -.0142 .0900 .80 |
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O2 .6023 .0721 .4527 .91 |
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O3 .3449 .2591 .8433 1.19 |
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O4 .2359 .2764 .0721 .36 |
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O5 .7811 .2315 .9317 1.14 |
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O6 .9562 -.0319 .9214 .84 |
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O7 .5277 .1791 .6680 .68 |
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O8 .8074 .1332 .6629 .68 |
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O9 .0632 .2165 .3526 .88 |
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O10 .3591 .1228 .3477 1.39 |
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O11 .0499 .1747 .6887 .55 |
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O12 .5954 .2323 .0708 .69 |
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O13 .7606 .1906 .2732 .78 |
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O14 .8852 .0945 .4907 .89 |
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O15 .5224 .0907 .2357 1.34 |
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Prosperite |
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Keller P, Riffel H, Hess H |
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Zeitschrift fur Kristallographie 158 (1982) 33-42 |
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Die kristallstruktur von prosperit, Ca2Zn4[H2O|(AsO4)4] |
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Locality: Tsumeb, Nambia |
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19.2380 7.731 9.765 90 104.47 90 C2/c |
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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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Ca .0913 .2638 .3964 0.56 .0004 .0036 .0011 -.0005 .0001 .0005 |
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Zn1 .3957 .4121 .2918 1.22 .0014 .0042 .0028 -.0012 .0013 -.0011 |
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Zn2 .2859 .0716 .0130 0.57 .0005 .0023 .0016 .0001 .0002 .0001 |
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As1 .2435 .2422 .2952 0.46 .0003 .0021 .0014 .0000 .0002 .0000 |
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As2 .4379 .2776 .0154 0.53 .0004 .0023 .0016 .0000 .0003 .0002 |
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O1 .1876 .3941 .3311 0.72 .0003 .0037 .0027 .0002 .0002 -.0015 |
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O2 .4149 .4430 .1073 1.06 .0010 .0040 .0024 .0003 .0009 -.0003 |
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O3 .2313 .2194 .1199 0.74 .0008 .0034 .0015 .0005 .0005 .0002 |
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O4 .3934 .0949 .0288 1.03 .0004 .0034 .0050 .0000 .0003 .0019 |
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O5 .2174 .0587 .3594 1.03 .0008 .0048 .0031 .0000 .0004 .0015 |
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O6 .0711 .1525 .1529 1.06 .0012 .0037 .0020 .0001 .0004 .0007 |
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O7 .3302 .2832 .3749 0.84 .0003 .0061 .0019 -.0004 -.0001 .0002 |
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O8 .4735 .2382 .4192 1.05 .0004 .0047 .0034 -.0001 .0004 .0004 |
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Wat9 0 .4509 .25 1.52 .0011 .0046 .0034 0 -.0004 0 |
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Arthurite |
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Keller P, Hess H |
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Neues Jahrbuch fur Mineralogie, Abhandlungen 133 (1978) 291-302 |
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Die kristallstruktur von arthurit, CuFe2[(H2O)4|(OH)2|(AsO4)2] |
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10.189 9.649 5.598 90 92.16 90 P2_1/c |
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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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Cu 0 0 0 .74 .001254 .002041 .007829 -.000611 .001097 -.000973 |
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Fe .45483 .13574 .34185 .43 .001085 .001155 .003355 .000076 .000132 .000000 |
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As .29597 .42823 .34200 .46 .000892 .001343 .003994 .000076 .000263 .000046 |
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O1 .3976 .4859 .1243 .63 .001350 .002041 .004554 -.000458 .000790 -.000371 |
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O2 .3554 .4898 .6082 .69 .002363 .001477 .005033 -.000076 -.000790 -.000371 |
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O3 .1464 .4928 .2807 .97 .001326 .003652 .008229 .000865 .000658 .001204 |
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O4 .2946 .2535 .3322 .69 .001568 .001369 .007270 .000204 .000044 -.000232 |
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OH .5411 .2330 .0751 .81 .002074 .001826 .006072 .000356 .000439 .001251 |
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Wat1 .1315 -.1195 .3268 1.84 .003641 .006659 .013182 -.001501 .000219 -.001251 |
|
Wat2 .0486 .1761 .1549 1.80 .002653 .003625 .024846 -.000916 .001010 -.004493 |
|
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Koritnigite |
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Keller P, Hess H, Riffel H |
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Neues Jahrbuch fur Mineralogie, Abhandlungen 138 (1980) 316-332 |
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Die kristallstruktur von koritnigit, Zn[H2O|HOAsO3] |
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Locality: Tsumeb, Namibia |
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7.948 15.829 6.668 90.86 96.56 90.05 P-1 |
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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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Zn1 .0962 .0641 .3750 .78 .001845 .001138 .004844 -.000140 .000621 .000358 |
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Zn2 .1360 .4592 .3626 .91 .002165 .001547 .005129 -.000400 .000860 .000501 |
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Zn3 .4046 .5641 .1294 .80 .001965 .001108 .005129 -.000080 .000669 .000119 |
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Zn4 .3640 .9597 .1351 .93 .002366 .001517 .005072 .000180 .000860 .000143 |
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As1 .0869 .1049 .8840 .72 .001684 .000998 .004388 -.000020 .000430 .000286 |
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As2 .1805 .4175 .8604 .69 .001163 .001018 .004958 -.000100 .000430 .000143 |
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As3 .4146 .6049 .6227 .72 .001644 .000968 .004616 -.000240 .000335 .000262 |
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As4 .3181 .9171 .6341 .69 .001203 .001078 .004730 .000000 .000574 .000477 |
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O1 .0594 .0461 .6761 1.04 .003048 .001387 .007123 .000120 .000382 .000167 |
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O2 .1727 .0521 .0878 1.02 .002927 .001248 .006382 .000680 .001243 .000215 |
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O3 .2194 .1790 .4361 1.34 .004371 .001098 .010314 -.000400 .001673 -.000262 |
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O4 .3283 .5525 .4145 1.07 .003048 .001417 .005243 -.000280 .000908 -.000072 |
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O5 .0902 .4752 .6666 1.18 .002727 .001717 .007522 .000440 .001147 .000787 |
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O6 .3854 .3646 .4268 1.26 .001885 .002156 .008776 -.000140 .000430 .000525 |
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O7 .0394 .3387 .3574 1.85 .002085 .001846 .018292 -.000480 .002151 .000692 |
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O8 .1962 .4752 .0740 .94 .002807 .001557 .004160 -.000280 .000813 -.000501 |
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O9 .2840 .6794 .0754 1.28 .003368 .001038 .012024 .000280 .002629 .000143 |
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O10 .3044 .9769 .4250 .84 .002205 .000938 .006610 .000560 .000956 .000715 |
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O11 .4596 .8399 .1319 1.69 .001925 .001786 .017095 .000240 .001530 -.000262 |
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O12 .1133 .8644 .0645 1.40 .003408 .001697 .009459 .000400 -.000239 -.000358 |
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O13 .1992 .1916 .8408 1.33 .004692 .001198 .010770 -.000220 .001482 .000859 |
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O14 .0514 .3320 .8898 1.44 .002807 .000998 .016468 -.001220 .003298 .000119 |
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O15 .3620 .3730 .8048 1.02 .002446 .001667 .006496 -.000560 .001482 .000000 |
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O16 .4418 .5440 .8271 1.00 .003248 .001038 .006838 .000360 .000621 .000954 |
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O17 .3038 .6913 .6709 1.33 .004451 .001297 .010485 .000440 .001482 .000358 |
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O18 .1354 .8734 .6874 1.15 .001564 .002026 .007408 -.000540 .000239 .000930 |
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O19 .4095 .9728 .8315 1.17 .003529 .001677 .005698 .000100 .000143 -.000215 |
|
O20 .4449 .8312 .5972 1.55 .002847 .001507 .015785 .000780 .003203 .001025 |
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Joosteite |
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Keller P, Lissner F, Schleid T |
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Neues Jahrbuch fur Mineralogie, Abhandlungen 184 (2007) 225-230 |
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The crystal structure of joosteite, (Mn2+,Mn3+,Fe3+)2[PO4]O, from the Helikon II mine, |
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Karibib (Namibia), and its relationship to stanekite, (Fe3+,Mn2+,Fe2+,Mg)2[PO4]O |
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Note: M1 and M2 Fe/Mn occupancies not determined, below are estimates |
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Locality: Helikon II mine, Karibib, Namibia |
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11.888 6.409 9.804 90 106.17 90 I2/a |
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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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MnM1 .20305 .00704 .19432 .793 .0342 .0272 .0455 .0261 .0012 .0013 .0030 |
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FeM1 .20305 .00704 .19432 .159 .0342 .0272 .0455 .0261 .0012 .0013 .0030 |
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MnM2 .11156 .14042 .45274 .643 .0321 .0398 .0262 .0242 -.0001 -.0014 -.0003 |
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FeM2 .11156 .14042 .45274 .321 .0321 .0398 .0262 .0242 -.0001 -.0014 -.0003 |
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P .07267 .65914 .37803 .0271 .0258 .0237 .0255 -.0001 .0029 .0004 |
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O1 .0507 .8358 .4719 .0398 .0571 .0309 .0284 .0017 .0069 -.0041 |
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O2 .9593 .6086 .2631 .0326 .0298 .0377 .0269 -.0013 .0024 .0029 |
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O3 .1682 .7170 .3099 .0432 .0341 .0519 .0444 -.0042 .0124 .0066 |
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O4 .1140 .4688 .4730 .0353 .0321 .0344 .0368 .0046 .0055 .0060 |
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O5 .2653 .1559 .3762 .0522 .0499 .0541 .0398 .0134 -.0085 -.0142 |
|
|
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|
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Chenite |
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Hess H, Keller P, Riffel H |
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Neues Jahrbuch fur Mineralogie, Monatshefte 1988 (1988) 259-264 |
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The crystal structure of chenite, Pb4Cu(OH)6(SO4)2 |
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Locality: Leadhills, Scotland |
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5.791 7.940 7.976 112.02 97.73 100.45 P-1 |
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atom x y z Uiso |
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Pb1 .3715 .2541 .4865 .028 |
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Pb2 .5602 .2717 .0472 .027 |
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Cu 0 0 0 .019 |
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S .0601 .7390 .2760 .020 |
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OH1 .212 .236 .187 .018 |
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OH2 .277 -.050 -.127 .026 |
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OH3 .320 .559 .596 .027 |
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O4 .198 .316 .814 .026 |
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O5 .162 .588 .220 .033 |
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O6 .089 .818 .481 .026 |
|
O7 .185 .887 .225 .027 |
|
|
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|
| |
|
ODanielite |
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Keller P, Hess H |
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Neues Jahrbuch fur Mineralogie, Monatshefte 1988 (1988) 395-404 |
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Die kristallstrukturen von o'danielit, Na(Zn,Mg)3H2(AsO4)3, |
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und johillerit, Na(Mg,Zn)3Cu(AsO4)3 |
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Locality: Tsumeb, Namibia |
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12.113 12.445 6.793 90 112.87 90 C2/c |
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atom x y z occ Biso |
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Na 0 .0096 .25 2.39 |
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Zn1 .5 .2193 .25 .6 1.09 |
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Mg1 .5 .2193 .25 .4 1.09 |
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Zn2 .2926 .3412 .3796 .85 |
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As1 0 .3095 .25 .66 |
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As2 .2207 .1149 .1144 .58 |
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O1 .3506 .4967 .4033 .93 |
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O2 .3696 .0924 .1657 1.26 |
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O3 .1141 .3941 .2681 1.00 |
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O4 .3462 .3232 .1243 .86 |
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O5 .2122 .1878 .3161 .77 |
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O6 .0343 .2346 .4722 .86 |
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H .1222 .5067 .8012 |
|
|
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|
| |
|
Johillerite |
|
Keller P, Hess H |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 1988 (1988) 395-404 |
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Die kristallstrukturen von o'danielit, Na(Zn,Mg)3H2(AsO4)3, |
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und johillerit, Na(Mg,Zn)3Cu(AsO4)3 |
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Locality: Tsumeb, Namibia |
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11.870 12.755 6.770 90 113.42 90 C2/c |
|
atom x y z occ Biso |
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Na 0 .0084 .25 1.89 |
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Mg1 .5 .2384 .25 .883 .62 |
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Zn1 .5 .2384 .25 .117 .62 |
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Mg2 .2859 .3437 .3739 .883 .58 |
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Zn2 .2859 .3437 .3739 .117 .58 |
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Cu 0 .4973 .25 1.27 |
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As1 0 .2875 .25 .90 |
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As2 .2288 .1144 .1235 .74 |
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O1 .3377 .4988 .3904 1.65 |
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O2 .3799 .1067 .1832 1.09 |
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O3 .1065 .3792 .2639 1.28 |
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O4 .3444 .3289 .1196 .99 |
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O5 .2143 .1899 .3190 1.25 |
|
O6 .0364 .2141 .4726 1.06 |
|
|
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|
| |
|
Damaraite |
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Keller P, Lissner F, Schleid T |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 2001 (2001) 326-336 |
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Damaraite, Pb3O2(OH)Cl: crystal structure and new chemical formula |
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Locality: Kombat mine, Namibia |
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5.813 6.921 15.192 90 90 90 Pmc2_1 |
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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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Pb1 .5 .41368 .30349 .0194 .0175 .0302 .0104 -.0041 0 0 |
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Pb2 .5 .20455 .09124 .0156 .0187 .0125 .0155 -.0013 0 0 |
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Pb3 .5 .29299 .53775 .0158 .0181 .0126 .0168 -.0015 0 0 |
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Pb4 0 .46542 .66357 .0153 .0179 .015 .0131 .0019 0 0 |
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Pb5 0 .37603 .93753 .0169 .0176 .0214 .0116 -.0036 0 0 |
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Pb6 0 .07363 .27427 .0153 .0184 .0125 .015 .0022 0 0 |
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O1 .2496 .4571 .0425 .0180 .0205 .0126 .0208 -.0045 .0043 -.0011 |
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O2 .2520 .2850 .2123 .0250 .0285 .0307 .0159 .0101 -.0049 -.0012 |
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Oh3 .5 .3328 .6914 .0253 .0472 .0119 .0166 .0009 0 0 |
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Oh4 0 .2951 .3908 .0491 .0674 .0528 .0269 -.0225 0 0 |
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Cl1 0 .0295 .5607 .0306 .0285 .0392 .024 .0049 0 0 |
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Cl2 .5 .0541 .8641 .0366 .0365 .0431 .0301 .0055 0 0 |
|
H1 .5 .210 .729 .02 |
|
H2 0 .177 .442 .02 |
|
|
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|
| |
|
Arsendescloizite |
|
Keller P, Lissner F, Schleid T |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 2003 (2003) 374-384 |
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The crystal structure of arsendescloizite, PbZn(OH)[AsO4], from Tsumeb (Namibia) |
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Locality: Tsumeb, Namibia |
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7.646 9.363 6.077 90 90 90 P2_12_12_1 |
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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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Pb .36712 .17148 .02753 .0161 .0135 .0141 .0206 -.0001 .0003 .0008 |
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Zn .23436 .50774 .23869 .0161 .0176 .0192 .0116 -.0030 .0023 -.0007 |
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As .38125 .81220 -.01024 .0101 .0089 .0106 .0108 -.0002 .0005 -.0007 |
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O1 .4425 .4220 .4932 .015 .011 .018 .015 .001 .004 .003 |
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O2 .2945 .0830 .4475 .020 .014 .016 .029 .003 .001 .003 |
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O3 .1363 .2812 .7304 .018 .018 .021 .015 -.002 -.001 -.005 |
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O4 .6081 .2039 .7352 .013 .014 .012 .013 -.001 .001 .002 |
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O5 .1112 .5654 .5057 .010 .015 .007 .008 -.002 .001 .002 |
|
H .018 .492 .490 .134 |
|
|
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|
| |
|
Warikahnite |
|
Riffel H, Keller P, Hess H |
| |
Tschermaks Mineralogische und Petrographische Mitteilungen 27 (1980) 187-199 |
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Die kristallstruktur von warikahnit, Zn3[(H2O)2|(AsO4)2] |
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Locality: Tsumeb mine, Namibia |
|
6.710 8.989 14.533 105.59 93.44 108.68 P-1 |
|
atom x y z Biso |
|
Zn1 .3950 .5628 .5894 .77 |
|
Zn2 .3826 .5513 .0864 .74 |
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Zn3 .0180 .7092 .3875 .73 |
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Zn4 .2427 .8601 .0831 .74 |
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Zn5 .0633 .0603 .7382 .76 |
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Zn6 .0052 .2247 .1462 .80 |
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As1 .0529 .3345 .3909 .52 |
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As2 .4853 .2776 .6755 .59 |
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As3 .0990 .4359 .8631 .51 |
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As4 .2604 .1360 .9668 .54 |
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O1 .3106 .4477 .4370 .82 |
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O2 .3123 .3237 .6079 .75 |
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O3 .0826 .5393 .6150 .94 |
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Wat4 .4745 .8065 .5725 1.21 |
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Wat5 .4725 .6745 .7427 1.13 |
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O6 .3158 .4496 .9360 .97 |
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O7 .1191 .6275 .0846 .69 |
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O8 .3903 .5579 .2249 .95 |
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O9 .3367 .7695 .3929 .99 |
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O10 .0534 .7848 .5400 .89 |
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O11 .0629 .2943 .7548 .94 |
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Wat12 .3537 .9993 .2214 1.35 |
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O13 .0471 .0891 .8802 .87 |
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O14 .2290 .9437 .9721 .90 |
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O15 .4932 .2083 .9303 .79 |
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O16 .3583 .1058 .7066 1.08 |
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Wat17 .0989 .9831 .3992 .93 |
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O18 .0275 .1992 .2778 .88 |
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O19 .2431 .2638 .0731 1.03 |
|
O20 .1381 .6180 .8449 1.01 |
|
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|
| |
|
Cobaltkoritnigite |
|
Zettler F, Riffel H, Hess H, Keller P |
| |
Zeitschrift fur Anorganische und Allgemeine Chemie 454 (1979) 134-144 |
|
Cobalthydrogenarsenat-monohydrat. Darstellung und kristallstruktur |
|
Locality: synthetic |
|
7.865 15.699 6.719 94.25 96.89 90.28 P-1 |
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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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Co1 .0988 .0631 .3899 .0080 .0074 .0091 .0075 -.0001 .0023 .0013 |
|
Co2 .1477 .4573 .3694 .0083 .0061 .0107 .0082 -.0001 .0025 .0014 |
|
Co3 .4058 .5631 .1323 .0082 .0083 .0093 .0071 .0012 .0022 .0027 |
|
Co4 .3515 .9564 .1187 .0083 .0072 .0093 .0097 -.0001 .0020 .0005 |
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As1 .0605 .1024 .9063 .0081 .0082 .0089 .0078 .0005 .0018 .0005 |
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As2 .1529 .4158 .8601 .0086 .0074 .0089 .0091 .0002 .0007 .0014 |
|
As3 .4481 .6033 .6314 .0083 .0079 .0092 .0084 -.0002 .0024 .0009 |
|
As4 .3407 .9143 .6141 .0087 .0086 .0096 .0079 .0000 .0004 .0012 |
|
O1 .0573 .0477 .6867 .0107 .0192 .0051 .0082 .0053 .0035 .0005 |
|
O2 .1595 .0477 .0919 .0141 .0147 .0171 .0120 .0016 -.0027 .0031 |
|
Wat3 .2062 .1826 .4253 .0234 .0124 .0268 .0322 -.0114 .0013 -.0058 |
|
O4 .3390 .5524 .4245 .0137 .0140 .0201 .0128 -.0036 .0077 .0001 |
|
O5 .0682 .4666 .6589 .0130 .0150 .0160 .0137 .0088 .0069 .0070 |
|
O6 .3541 .3703 .4150 .0113 .0094 .0113 .0154 .0022 .0058 .0005 |
|
Wat7 .0095 .3376 .2995 .0156 .0102 .0157 .0231 -.0005 .0048 -.0023 |
|
O8 .1920 .4809 .0727 .0115 .0144 .0147 .0073 -.0069 .0035 -.0043 |
|
Wat9 .3016 .6802 .1410 .0194 .0133 .0151 .0341 .0034 .0091 .0055 |
|
O10 .3077 .9792 .4256 .0092 .0128 .0115 .0036 -.0051 .0020 -.0037 |
|
Wat11 .4800 .8409 .1547 .0175 .0119 .0186 .0270 .0092 .0056 .0108 |
|
O12 .1335 .8670 .0454 .0124 .0018 .0181 .0142 .0026 -.0015 .0020 |
|
OH13 .1879 .1901 .9019 .0169 .0077 .0144 .0295 -.0065 .0062 -.0024 |
|
O14 .0347 .3309 .9013 .0191 .0170 .0091 .0366 -.0066 .0058 .0032 |
|
OH15 .3453 .3720 .7942 .0167 .0039 .0154 .0354 .0035 .0058 .0041 |
|
O16 .4472 .5468 .8346 .0120 .0218 .0110 .0073 .0061 .0024 .0030 |
|
OH17 .3405 .6947 .6867 .0160 .0123 .0125 .0229 .0038 .0097 -.0004 |
|
OH18 .1462 .8725 .6669 .0116 .0051 .0125 .0168 -.0020 .0007 .0010 |
|
O19 .4270 .9648 .8288 .0109 .0133 .0135 .0096 -.0072 .0012 .0036 |
|
O20 .4519 .8289 .5480 .0172 .0144 .0087 .0261 -.0011 .0018 .0016 |
|
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| |
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