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Monteregianite-(Y) |
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Ghose S, Sen Gupta P K, Campana C F |
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American Mineralogist 72 (1987) 365-374 |
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Symmetry and crystal structure of monteregianite, Na4K2Y2Si16O38.10H2O, a |
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double-sheet silicate with zeolitic properties |
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Note: Several bond lengths cannot be reproduced with this data, but the authors |
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no longer have the original data, so they cannot check |
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_database_code_amcsd 0001072 |
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9.512 23.956 9.617 90 93.85 90 P2_1/n |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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K1 .0685 .2488 .5702 .62 .0558 .0257 .0458 .0074 .0148 .0045 |
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K2 .541 .2478 .047 .38 .0387 .0316 .0380 -.0104 .0122 -.0062 |
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Na1 .3713 .4991 .6312 .95 .0167 .0219 .0158 -.0019 .0036 -.0046 |
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Na2A .5 .5 0 .47 .0111 .0257 .0186 .0038 .0083 .0032 |
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Na2B 0 .5 .5 .45 .0109 .0224 .0193 .0004 .0066 .0007 |
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YCe -.25645 .49845 .74445 .0022 .0053 .0057 -.0001 .0017 -.0002 |
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Si1 -.2661 .18159 .7344 .0051 .0083 .0083 .0006 .0019 .0000 |
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Si2A -.4972 .38752 .2288 .0035 .0108 .0082 -.0005 .0035 .0000 |
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Si2B .2275 .38831 -.4931 .0037 .0118 .0084 -.0003 .0045 -.0007 |
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Si3 -.4548 .38870 .5524 .0030 .0120 .0082 .0006 .0008 -.0009 |
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Si4 -.2553 .31464 .7465 .0044 .0092 .0067 -.0001 .0009 -.0008 |
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Si5A .2269 .11133 -.4953 .0044 .0125 .0077 -.0009 .0032 -.0003 |
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Si5B .4979 .11160 .2246 .0047 .0125 .0078 -.0007 .0034 .0005 |
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Si6 -.4521 .10614 .5519 .0046 .0133 .0070 -.0001 .0009 .0003 |
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O1 -.2588 .2481 .7358 .0165 .0084 .0207 -.0036 .0000 -.0015 |
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O2A -.6183 .3414 .1882 .0075 .0204 .0186 -.0060 .0061 -.0050 |
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O2B .2029 .3384 -.6097 .0262 .0219 .0144 -.0063 .0093 -.0071 |
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O3 -.3907 .1646 .6230 .0108 .0200 .0247 .0001 -.0075 -.0063 |
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O4A .1264 .1277 -.3711 .0072 .0185 .0112 -.0009 .0084 -.0030 |
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O4B -.3769 .1272 .1274 .0098 .0162 .0118 -.0036 .0054 -.0008 |
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O5A -.4349 .3718 .3891 .0215 .0222 .0068 .0062 .0021 -.0021 |
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O5B .3827 .3798 -.4176 .0039 .0362 .0219 -.0019 .0015 .0083 |
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O6A .4517 .4501 .2176 .0097 .0161 .0203 .0034 .0029 .0016 |
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O6B .2110 .4491 .4465 .0175 .0166 .0190 .0038 .0067 .0054 |
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O7 -.4038 .4494 .5892 .0151 .0150 .0161 -.0014 .0015 -.0038 |
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O8 -.3758 .3390 .6428 .0224 .0179 .0189 .0053 -.0089 .0017 |
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O9A -.2757 .3320 .9063 .0296 .0182 .0108 -.0009 .0107 -.0037 |
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O9B .8934 .3343 -.2989 .0090 .0274 .0376 -.0095 .0130 -.0050 |
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O10A -.4379 .1155 .3852 .0202 .0511 .0092 -.0109 .0008 -.0004 |
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O10B .3843 .1067 -.4185 .0038 .0320 .0177 -.0004 .0041 .0001 |
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O11A .6829 .4428 -.0799 .0125 .0225 .0119 .0039 .0080 .0091 |
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O11B -.0778 .4450 .6889 .0165 .0197 .0235 .0127 .0134 .0061 |
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O12 -.3704 .0540 .6113 .0223 .0149 .0421 .0053 -.0083 .0060 |
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O13W1 .8428 .4480 .3443 .0260 .0914 .0583 .0061 .0008 -.0468 |
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O14W2 .3238 .4521 .8570 .0532 .0704 .0293 -.0342 .0064 -.0026 |
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O15W3 .622 .2492 .359 .95 .0715 .0374 .0671 .0034 -.0020 -.0029 |
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O16W4 .891 .187 .356 .46 .0337 .2355 .0435 .0493 -.0199 -.0613 |
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O17W5 .383 .182 .865 .35 .0273 .1617 .0395 .0155 -.0030 -.0390 |
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O18W6 .633 .750 -.610 .37 .1136 .0273 .1160 -.0003 -.0549 -.0050 |
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Howardevansite |
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Hughes J M, Drexler J W, Campana C F, Malinconico M L |
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American Mineralogist 73 (1988) 181-186 |
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Howardevansite, NaCuFe2(VO4)3, a new fumarolic sublimate from |
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Izalco volcano, El Salvador: Descriptive mineralogy and crystal structure |
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Note: Displacement ellipsoid for Na1 is not positive-definite |
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_database_code_amcsd 0001138 |
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8.198 9.773 6.6510 103.82 101.99 106.74 P-1 |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Cu .78675 .79562 .7765 .00664 .00777 .0072 .00445 .00395 .00525 |
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Fe1 .54817 .39238 .1191 .0037 .00217 .0040 .00145 .0017 .00145 |
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Fe2 .29616 .98522 .4553 .0037 .00238 .0052 .0012 .0016 .0014 |
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V1 .4101 .66723 .3893 .0033 .00146 .0035 .0010 .00145 .00095 |
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V2 .8383 .73926 .2755 .0029 .00186 .0030 .0010 .00145 .0009 |
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V3 .7710 .12589 .0913 .0029 .00194 .0029 .00115 .0015 .00115 |
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Na1 0 .5 .5 .0026 .0314 .0514 .0115 .0144 .0407 |
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Na2 .0234 .5509 -.016 .5 .0089 .0130 .0083 .0065 -.00345 -.0035 |
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O1 .4450 .8570 .4201 .0022 .0017 .0059 .00125 .001 .0007 |
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O2 .4821 .3502 .3713 .0048 .0034 .0049 .0011 .002 .00225 |
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O3 .8014 .5556 .2637 .0056 .0033 .0086 .0021 .003 .00225 |
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O4 .2201 .1642 .5035 .0061 .0036 .0040 .0031 .003 .00255 |
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O5 .2729 .0075 .1599 .0068 .0040 .0045 .00285 .0025 .00275 |
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O6 .4729 .5794 .1701 .0067 .0020 .0032 .00195 .002 .00115 |
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O7 .7287 .7421 .0244 .0056 .0039 .0054 .00235 .0025 .00235 |
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O8 .0552 .8210 .3184 .0040 .0040 .0080 -.0003 .002 .0015 |
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O9 .1981 .5800 .3385 .0037 .0040 .016 .00055 .000 .0025 |
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O10 .9907 .2365 .1897 .0039 .0061 .0080 .0004 .0005 .0025 |
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O11 .7176 .0361 .2674 .0079 .0044 .0042 .0019 .003 .0022 |
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O12 .6592 .2444 .0678 .0065 .0042 .0074 .0036 .0015 .001 |
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Dickthomssenite |
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Hughes J M, Cureton F E, Marty J, Gault R A, Gunter M E, |
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Campana C F, Rakovan J F, Sommer A J, Brueseke M E |
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The Canadian Mineralogist 39 (2001) 1691-1700 |
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Dickthomssenite, Mg(V2O6).7H2O, a new mineral species from the Firefly-Pigmay mine, Utah: |
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Descriptive mineralogy and arrangement of atoms |
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Locality: Firefly-Pigmay mine, Utah, USA |
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_database_code_amcsd 0005758 |
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38.954 7.2010 16.3465 90 97.602 90 C2/c |
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atom x y z Uiso |
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V1 .1506 .1163 .2101 .008 |
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V2 .0991 .3673 .2912 .009 |
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V3 .1518 .6170 .2117 .009 |
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V4 .0987 .8661 .2904 .009 |
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Mg1 .1255 .6238 .0018 .019 |
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Mg2 0 1/2 0 .021 |
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Mg3 3/4 3/4 1/2 .022 |
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O1 .1132 .1176 .2833 .020 |
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O2 .1364 .3688 .2184 .019 |
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O3 .1157 .6180 .2906 .016 |
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O4 .1346 .8663 .2117 .016 |
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O5 .1895 .1120 .2605 .023 |
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O6 .1547 .1253 .1095 .018 |
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O7 .0607 .3744 .2388 .022 |
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O8 .0930 .6350 -.1086 .015 |
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O9 .1896 .6249 .2653 .023 |
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O10 .1581 .6154 .1119 .015 |
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O11 .0604 .8582 .2377 .024 |
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O12 .0937 .8754 .3903 .022 |
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Ow13 .1435 .8942 -.0206 .026 |
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H13A .1250 .9576 -.0237 .031 |
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H13B .1553 .9412 .0218 .031 |
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Ow14 .0900 .7474 .0675 .036 |
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H14A .0964 .7313 .1188 .044 |
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H14B .0847 .8543 .0477 .044 |
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Ow15 .1062 .3563 .0191 .025 |
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H15A .1113 .2898 -.0205 .029 |
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H15B .0954 .2869 .0492 .029 |
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Ow16 .1607 .4948 -.0646 .038 |
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H16A .1621 .5505 -.1098 .045 |
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H16B .1807 .4920 -.0367 .045 |
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Ow17 -.0264 .5035 .0997 .025 |
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H17A -.0332 .6136 .1072 .030 |
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H17B -.0131 .4663 .1420 .030 |
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Ow18 .0416 .3922 .0715 .040 |
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H18A .0352 .2958 .0953 .048 |
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H18B .0572 .3634 .0421 .048 |
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Ow19 -.0188 .2306 -.0267 .030 |
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H19A -.0056 .1600 .0052 .036 |
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H19B -.0332 .1581 -.0542 .036 |
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Ow20 .7762 .7523 .4015 .028 |
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H20A .7723 .6677 .3652 .034 |
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H20B .7803 .8633 .3878 .034 |
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Ow21 .7918 .8566 .5734 .039 |
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H21A .7966 .9656 .5586 .046 |
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H21B .8097 .7911 .5697 .046 |
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Ow22 .7680 .4802 .5271 .030 |
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H22A .7561 .4064 .4941 .036 |
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H22B .7829 .4102 .5546 .036 |
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Ow23 .7503 .4161 .2475 .024 |
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H23A .7684 .4801 .2440 .029 |
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H23B .7425 .3657 .2018 .029 |
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Ow24 .7748 .2516 .3974 .030 |
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H24A .7614 .1811 .4204 .036 |
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H24B .7956 .2169 .3965 .036 |
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Ow25 .9755 .0019 .6015 .028 |
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H25A .9547 .0393 .6005 .034 |
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H25B .9887 .0726 .5782 .034 |
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Ow26 0 .3382 3/4 .026 |
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H26 .9814 .3070 .7682 .031 |
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Ow27 0 .8307 3/4 .030 |
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H27 .9926 .8833 .7045 .036 |
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Cavansite |
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Hughes J M, Derr R S, Cureton F, Campana C F, Druschel G |
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The Canadian Mineralogist 49 (2011) 1267-1272 |
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The crystal structure of cavansite: location of the H2O molecules and |
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hydrogen atoms in Ca(VO)(Si4O10)*4H2O |
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Note: T = 100 K |
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Locality: Pune, India |
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_database_code_amcsd 0018620 |
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9.7518 13.6854 9.5965 90 90 90 Pcmn |
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atom x y z Uiso |
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V .403461 .25 .527127 .00441 |
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Ca .081188 .25 .384158 .00538 |
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Si1 .092905 .033726 .184986 .00382 |
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Si2 .314548 .043079 .394816 .00367 |
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O1 .08484 .150457 .17923 .00609 |
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O2 .29352 .157711 .41364 .00677 |
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O3 .44562 .019683 .29592 .00688 |
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O4 .16568 .989344 .04467 .00605 |
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O5 .18145 .995496 .31844 .00555 |
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O6 .55289 .25 .45740 .01021 |
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OW7 .94626 .11855 .47063 .01585 |
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H7a -.1211 .1117 .4266 .034 |
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H7b -.0728 .0887 .5460 .031 |
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OW8 .13254 .25 .63927 .01471 |
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H8a .1283 .2993 .6935 .047 |
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OW9 .81138 .25 .28676 .02668 |
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H9a -.2705 .25 .3162 .033 |
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H9b -.202 .25 .197 .057 |
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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
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Cavansite |
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Hughes J M, Derr R S, Cureton F, Campana C F, Druschel G |
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The Canadian Mineralogist 49 (2011) 1267-1272 |
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The crystal structure of cavansite: location of the H2O molecules and |
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hydrogen atoms in Ca(VO)(Si4O10)*4H2O |
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Note: T = 296 K |
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Locality: Pune, India |
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_database_code_amcsd 0018621 |
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9.7614 13.6666 9.6049 90 90 90 Pcmn |
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atom x y z Uiso |
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V .40796 .25 .52610 .00958 |
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Ca .08632 .25 .38270 .01177 |
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Si1 .09326 .03399 .18476 .00784 |
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Si2 .31501 .04327 .39474 .00758 |
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O1 .08426 .15083 .17913 .01217 |
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O2 .29503 .15790 .41533 .01367 |
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O3 .44570 .01877 .29636 .01436 |
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O4 .16543 .98960 .04456 .01233 |
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O5 .18173 .99676 .31835 .01163 |
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O6 .55529 .25 .45570 .0235 |
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OW7 .9388 .12314 .4635 .0654 |
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H7a -.1294 .1168 .4201 .078 |
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H7b -.0801 .0936 .5387 .078 |
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OW8 .1128 .25 .6393 .0541 |
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H8a .1083 .2993 .6932 .065 |
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OW9 .8098 .25 .295 .396 |
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H9a -.2717 .25 .3235 .475 |
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H9b -.2046 .25 .2052 .475 |
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|
| Download AMC data (View Text File)
Download CIF data (View Text File)
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View JMOL 3-D Structure
|
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