Betpakdalite-CaCa
Cooper M A, Hawthorne F C
The Canadian Mineralogist 37 (1999) 61-66
The crystal structure of betpakdalite, and a new chemical formula:
{Mg(H2O)6}Ca2(H2O)13[Mo8As2Fe3O36(OH)](H2O)4
_database_code_amcsd 0005591
19.531 11.061 15.257 90 131.57 90 C2/m
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mo1 .21480 -.16070 .19391 .0081 .0099 .0075 .0086 .0008 .0069 .0007
Mo2 .37106 0 .19692 .0079 0076 .0082 .0081 0 .0053 0
Mo3 .37566 0 .42461 .0120 .0096 .0178 .0083 0 .0058 0
As -.13451 0 .05884 .0083 .0083 .0085 .0084 0 .0057 0
Fe1 .75 .75 0 .0111 .0127 .0094 .0127 -.0004 .0090 .0009
Fe2 0 0 0 .0119 .0109 .0142 .0130 0 .0091 0
Mg .5 0 0 .0224 .0172 .0270 .0244 0 .0143 0
Ca .1559 -.1768 .4880 .5 .0330 .0336 .0261 .0302 -.0005 .0172 .0115
O1 .2126 0 .0926 .0094 .0102 .0088 .0076 0 .0051 0
O2 .2375 0 .2852 .0115 .0111 .0131 .0116 0 .0081 0
O3 .3423 -.1249 .1022 .0153 .0162 .0133 .0188 -.0016 .0125 -.0035
O4 .3505 -.1137 .2869 .0135 .0133 .0162 .0132 .0005 .0098 .0001
O5 .2184 -.2546 .1012 .0153 .0211 .0131 .0196 -.0015 .0168 -.0022
O6 .0947 -.1279 .1007 .0154 .0140 .0158 .0167 .0007 .0103 .0007
O7 .1513 -.1243 -.1056 .0173 .0223 .0142 .0109 .0061 .0092 -.0019
O8 .0285 0 -.1066 .0171 .0077 .0335 .0110 0 .0066 0
O9 .3708 -.1229 .4889 .0233 .0233 .0252 .0155 -.0026 .0104 .0023
O10 .4873 0 .2926 .5 .0176 .0124 .0249 .0134 0 .0076 0
OH10 .4873 0 .2926 .5 .0176 .0124 .0249 .0134 0 .0076 0
O11 .2346 -.2608 .2940 .0197 .0255 .0192 .0170 .0029 .0151 .0050
O12 .5 .014 .5 .5 .0188 .0080 .0314 .0151 0 .0069 0
Wat1 .4657 -.1347 .0586 .0483 .0370 .0641 .0462 -.0199 .0286 .0002
Wat2 .6294 0 .1650 .0397 .0230 .0528 .0335 0 .0146 0
Wat3 -.2077 0 .2216 .0405 .0535 .0400 .0459 0 .0405 0
Wat4 .1277 -.0504 .3390 .5 .0368 .0318 .0602 .0240 .0059 .0208 .0125
Wat5 -.1056 -.030 .4644 .5 .0698 .0716 .0676 .0577 -.0145 .0376 .0054
Wat6 -.2951 -.0419 .4039 .5 .0319 .0370 .0279 .0386 .0032 .0284 -.0007
Wat7 -.2335 -.2001 .5028 .5 .0385 .0656 .0251 .0475 .0084 .0471 .0010
Wat8 .4798 -.3068 .3544 .1214 .0738 .0658 .1078 .0163 .0110 -.0224
Wat9 .0569 -.2307 .2597 .5 .0537 .0446 .0429 .0558 -.0013 .0258 .0011
Wat10 .417 -.200 .702 .25 .0494
Download AMC data (View Text File )Download CIF data (View Text File )Download diffraction data (View Text File )View JMOL 3-D Structure (permalink )
Betpakdalite-CaMg
Kampf A R, Mills S J, Rumsey M S, Dini M, Birch W D, Spratt J, Pluth J J, Steele I M,
Jenkins R A, Pinch W W
Mineralogical Magazine 76 (2012) 1175-1207
The heteropolymolybdate family: structural relations, nomenclature scheme and new species
Locality: Tsumeb, Namibia
_database_code_amcsd 0019591
19.5336 11.0637 15.2559 90 131.528 90 C2/m
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca .15478 -.17861 .48479 .482 .0292 .0292 .0241 .0287 .0001 .0169 .0101
Na .15478 -.17861 .48479 .018 .0292 .0292 .0241 .0287 .0001 .0169 .0101
Mg .5 0 0 .0152 .0102 .0195 .0164 0 .0091 0
Mo1 .214851 -.160513 .193999 .00835 .00993 .00816 .00875 .00080 .00695 .00072
Mo2 .370947 0 .19671 .00797 .00734 .00876 .00776 0 .00498 0
Mo3 .375826 0 .42469 .01243 .00946 .01899 .00823 0 .00560 0
As -.134700 0 .05865 .00844 .00817 .00905 .00843 0 .00564 0
Fe1 .75 .75 0 .01106 .01247 .00966 .01233 -.00046 .00876 .00073
Fe2 0 0 0 .01209 .0108 .0145 .0126 0 .0084 0
O1 .21258 0 .09237 .0098 .0088 .0113 .0076 0 .0047 0
O2 .23791 0 .28512 .0115 .0104 .0145 .0104 0 .0072 0
O3 .34240 -.12493 .10234 .0155 .0165 .0141 .0184 -.0021 .0126 -.0040
O4 .35036 -.11319 .28652 .0130 .0111 .0163 .0121 .0007 .0078 .0004
O5 .21873 -.25423 .10148 .0158 .0221 .0130 .0181 -.0007 .0158 -.0017
O6 .09475 -.12795 .10119 .0153 .0118 .0159 .0166 .0001 .0087 .0005
O7 .15162 -.12422 -.10525 .0182 .0223 .0141 .0136 .0060 .0100 -.0024
O8 .02891 0 -.1055 .0177 .0090 .0306 .0141 0 .0079 0
O9 .37073 -.12265 .48874 .0231 .0222 .0241 .0146 -.0024 .0086 .0027
O10 .48694 0 .2921 .0175 .0114 .0237 .0149 0 .0077 0
O11 .23494 -.26014 .29470 .0200 .0262 .0191 .0196 .0020 .0172 .0052
O12 .5 0 .5 .0275 .0082 .058 .0116 0 .0046 0
Wat1 .46462 -.1355 .0570 .0495 .0383 .0670 .0459 -.0204 .0291 .0024
Wat2 .6282 0 .1656 .0389 .0215 .055 .0275 0 .0108 0
Wat3 -.2093 0 .2204 .0389 .054 .0364 .049 0 .0432 0
Wat4 .1270 -.0485 .3388 .528 .0388 .033 .060 .027 .0001 .0212 .0084
Wat5 -.1082 -.0282 .4607 .515 .064 .067 .059 .056 -.015 .037 .002
Wat6 -.2934 -.0430 .4060 .546 .0372 .044 .034 .040 .0004 .030 -.0023
Wat7 -.2310 -.1986 .5053 .495 .0363 .054 .030 .047 .007 .043 .001
Wat8 .4770 -.3086 .3511 .77 .066 .055 .055 .054 .008 .022 -.003
Wat9 .0569 -.2326 .2578 .526 .058 .053 .054 .058 .002 .034 .003
Wat10 .4160 -.1978 .6985 .297 .044 .045 .051 .031 -.013 .023 -.006
Wat11 .5140 -.268 .306 .157 .069
Wat12 .4922 -.303 .412 .21 .071
Download AMC data (View Text File )Download CIF data (View Text File )Download diffraction data (View Text File )View JMOL 3-D Structure (permalink )
Betpakdalite-CaCa
Schmetzer K, Nuber B, Tremmel G
Neues Jahrbuch fur Mineralogie, Monatshefte 1984 (1984) 393-403
Betpakdalite from Tsumeb, Namibia: mineralogy, crystal chemistry and structure
Locality: Tsumeb, Namibia
_database_code_amcsd 0014792
19.44 11.096 15.25 90 131.28 90 C2/m
atom x y z occ Uiso
KWl .4727 -.1513 .0715 .086 .0496
WatWl .4727 -.1513 .0715 .574 .0496
KW2 .6246 0 .1637 .086 .0263
WatW2 .6246 0 .1637 .574 .0263
Wat3 -.2182 0 .2148 .0859
WatW4 .1279 -.0440 .3436 .419 .0377
CaW5 -.1102 0 .4584 .1097
WatW6 -.2961 -.0383 .4053 .419 .0551
WatW7 -.2373 -.2029 .5021 .419 .0577
WatW8 .4768 -.3072 .3483 .419 .0364
WatW9 .0599 -.2382 .2794 .419 .0655
Mol .2149 -.1609 .1941 .0135
Mo2 .3713 0 .1976 .0134
Mo3 .3750 0 .4235 .0165
As -.1347 0 .0592 .0141
Fel -.25 -.25 0 .0177
Fe2 0 0 0 .0209
K .5 0 0 .086 .0620
Wat .5 0 0 .574 .0620
Wat .1558 -.1695 .4928 .419 .0420
O1 .2105 0 .0891 .0171
O2 .2381 0 .2834 .0181
O3 .3420 -.1248 .1036 .0207
O4 .3493 -.1119 .2862 .0141
O5 .2168 -.2529 .1010 .0195
O6 .0939 -.1291 .1005 .0197
O7 .1507 -.1243 -.1068 .0227
O8 .0258 0 -.1102 .0238
O9 .3695 -.1220 .4864 .0293
O10 .4886 0 .2937 .0236
O11 .2353 -.2589 .2939 .0263
O12 .5 0 .5 .0313
Download AMC data (View Text File )Download CIF data (View Text File )Download diffraction data (View Text File )View JMOL 3-D Structure (permalink )
Multiple datasets can be concatenated into a single downloadable file by selecting the datasets and then clicking
Multiple datasets can be downloaded as individual files inside a ZIP archive by selecting the datasets and then clicking
Total number of retrieved datasets: 