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Tolbachite |
 |
Burns P C, Hawthorne F C |
 |
American Mineralogist 78 (1993) 187-189 |
|
Tolbachite, CuCl2, the first example of Cu2+ octahedrally coordinated by Cl |
|
_database_code_amcsd 0001544 |
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6.9038 3.2995 6.824 90 122.197 90 C2/m |
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atom x y z Biso |
|
Cu 0 0 0 0.5 |
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Cl .5048 0 .2294 1.00 |
|
|
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| |
|
Dravite |
|
Hawthorne F C, MacDonald D J, Burns P C |
|
American Mineralogist 78 (1993) 265-270 |
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Reassignment of cation site occupancies in tourmaline: Al-Mg disorder in the |
|
crystal structure of dravite |
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Locality: Osarar, Narok District, Kenya |
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_database_code_amcsd 0001551 |
|
15.947 15.947 7.214 90 90 120 R3m |
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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) |
|
NaX 0 0 .15920 .814 .0227 .0227 .0177 .0114 0 0 |
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KX 0 0 .15920 .014 .0227 .0227 .0177 .0114 0 0 |
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CaX 0 0 .15920 .009 .0227 .0227 .0177 .0114 0 0 |
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TiY .93867 .06133 .5643 .010 .0090 .0090 .0137 .0030 .0017 -.0017 |
|
CrY .93867 .06133 .5643 .002 .0090 .0090 .0137 .0030 .0017 -.0017 |
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FeY .93867 .06133 .5643 .204 .0090 .0090 .0137 .0030 .0017 -.0017 |
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MnY .93867 .06133 .5643 .001 .0090 .0090 .0137 .0030 .0017 -.0017 |
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MgY .93867 .06133 .5643 .450 .0090 .0090 .0137 .0030 .0017 -.0017 |
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AlY .93867 .06133 .5643 .334 .0090 .0090 .0137 .0030 .0017 -.0017 |
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AlZ .73849 .70217 .5386 .846 .0073 .0069 .0069 .0035 -.0010 -.0002 |
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MgZ .73849 .70217 .5386 .154 .0073 .0069 .0069 .0035 -.0010 -.0002 |
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SiT .81018 .80835 .9280 .0056 .0054 .0069 .0025 .0006 .0004 |
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B .11000 .89000 .3819 .0086 .0086 .0082 .0045 .0004 -.0004 |
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OH1 0 0 .6989 .0128 .0128 .0118 .0064 0 0 |
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O2 .06109 .93891 .4156 .0138 .0138 .0122 .0091 .0005 -.0005 |
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OH3 .86947 .13053 .4381 .0139 .0139 .0071 .0017 -.0001 .0001 |
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O4 .09300 .90601 .9989 .0101 .0101 .0115 .0019 -.0010 .0010 |
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O5 .90733 .09267 .0212 .0097 .0097 .0106 .0017 -.0011 .0011 |
|
O6 .81568 .80578 .7059 .0119 .0110 .0074 .0063 .0012 .0008 |
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O7 .71512 .71494 .0059 .0076 .0086 .0112 .0022 .0027 .0021 |
|
O8 .73016 .79077 .3674 .0098 .0062 .0159 .0038 -.0034 -.0017 |
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Sinkankasite |
|
Burns P C, Hawthorne F C |
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American Mineralogist 80 (1995) 620-627 |
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The crystal structure of sinkankasite, a complex heteropolyhedral sheet mineral |
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Locality: Barker pegmatite, near Keystone, Pennington County, South Dakota, USA |
|
_database_code_amcsd 0001744 |
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9.590 9.818 6.860 108.04 99.63 98.87 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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Mn .2887 .9520 .6821 .0240 .0184 .0039 .0051 .0054 .0065 |
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P1 .2971 .6566 .2606 .0186 .0161 .0041 .0059 .0041 .0073 |
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P2 .2914 .2566 .1038 .0187 .0132 .0038 .0019 .0040 .0058 |
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Al1 .5 .5 .5 .0149 .0123 .0001 .0030 .0026 .0056 |
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Al2 .5 .5 0 .0190 .0135 .0001 .0050 .0049 .0065 |
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O1 .2899 .8156 .3614 .0328 .0192 .0072 .0113 .0080 .0079 |
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O2 .3909 .6426 .1003 .0312 .0227 .0023 .0104 .0097 .0105 |
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O3 .3476 .5873 .4219 .0225 .0202 .0022 .0063 .0049 .0098 |
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O4 .3857 .3101 .3259 .0261 .0156 .0041 .0003 .0029 .0072 |
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O5 .3458 .3474 -.0230 .0293 .0183 .0048 .0021 .0039 .0102 |
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O6 .2786 .0938 .9937 .0295 .0172 .0076 .0053 .0066 .0077 |
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Oh1 .1363 .5740 .1438 .0211 .0303 .0240 .0039 -.0001 .0125 |
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Oh2 .5789 .5165 .2761 .0190 .0176 .0001 .0039 .0036 .0074 |
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Oh3 .1351 .2826 .1225 .0250 .0224 .0128 -.0005 .0052 .0063 |
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OW1 .2967 .7677 .7887 .0505 .0274 .0117 .0155 .0128 .0121 |
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OW2 .5186 .0040 .7596 .0255 .0356 .0354 .0058 .0071 .0291 |
|
OW3 .2930 .1405 .5798 .0397 .0232 .0058 .0023 .0051 .0071 |
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OW4 .0573 .8887 .5972 .0291 .0354 .0308 .0081 .0121 .0115 |
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OW5 .0834 .9186 .1365 .0256 .0307 .0194 .0053 .0026 .0145 |
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OW6 -.0907 .5932 .4146 .0659 .0542 .0620 -.0024 .0222 .0212 |
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H1 .106 .470 .073 .03 |
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H2 .678 .547 .351 .03 |
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H3 .063 .193 .055 .03 |
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H4 .379 .737 .740 .03 |
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H5 .290 .667 .710 .03 |
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H6 .591 .071 .732 .03 |
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H7 .580 -.041 .834 .03 |
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H8 .397 .160 .613 .03 |
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H9 .288 .233 .676 .03 |
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H10 .015 .785 .545 .03 |
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H11 .000 .947 .675 .03 |
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H12 .139 .858 .186 .03 |
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H13 .081 .998 .259 .03 |
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H14 -.148 .527 .465 .03 |
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H15 -.067 .510 .319 .03 |
|
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|
| |
|
Vandendriesscheite |
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Burns P C |
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American Mineralogist 82 (1997) 1176-1186 |
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A new uranyl oxide hydrate sheet in vandendriesscheite: Implications for mineral |
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paragenesis and the corrosion of spent nuclear fuel |
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Locality: Shinkolobwe (Congo) |
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_database_code_amcsd 0001951 |
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14.1165 41.378 14.5347 90 90 90 Pbca |
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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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U1 .7236 .15997 .7251 .0110 .0096 .0164 -.0010 -.0014 .0008 |
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U2 .5075 .1040 .7649 .0106 .0081 .0233 .0002 .0019 .0011 |
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U3 .0041 .39961 .7661 .0125 .0094 .0155 .0014 -.0006 -.0005 |
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U4 .9715 .19612 .7467 .0094 .0079 .0173 .0007 .0015 .0000 |
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U5 .7354 .45539 .7543 .0099 .0072 .0212 -.0011 .0007 .0000 |
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U6 .9709 .30853 .7495 .0108 .0080 .0169 .0000 -.0007 -.0003 |
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U7 .7561 .25228 .7544 .0105 .0067 .0162 .0007 .0015 .0008 |
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U8 .7275 .04795 .7442 .0109 .0069 .0245 -.0010 .0015 .0006 |
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U9 .2235 .34481 .7351 .0135 .0115 .0166 -.0006 .0000 .0048 |
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U10 .9845 .00867 .7264 .0168 .0135 .0210 -.0032 .0027 -.0058 |
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Pb1 .8112 .30459 .4976 .0299 .0250 .0237 -.0013 -.0013 -.0034 |
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Pb2 .8903 -.0004 .0020 .1510 .0391 .0336 .0007 .0042 -.0131 |
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O1 .817 .2040 .726 .0130 |
|
OH2 .386 .1440 .802 .0139 |
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O3 .746 .1577 .845 .0195 |
|
OH4 .386 .1440 .802 .0119 |
|
O5 .705 .1635 .603 .0131 |
|
OH6 .682 .1037 .704 .0176 |
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O7 .569 .1545 .756 .0185 |
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OH8 .379 .0680 .803 .0267 |
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O9 .539 .1039 .885 .0346 |
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O10 .569 .0523 .754 .0208 |
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O11 .472 .1037 .648 .0281 |
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OH12 .188 .3999 .784 .0155 |
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O13 .000 .4125 .654 .0259 |
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O14 .066 .3513 .721 .0087 |
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OH15 .879 .3637 .734 .0265 |
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O16 .012 .3887 .885 .0210 |
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OH17 .932 -.0470 .700 .0106 |
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OH18 .865 .4273 .811 .0179 |
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OH19 .938 .2534 .783 .0120 |
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O20 .947 .1865 .863 .0215 |
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O21 .995 .2071 .626 .0239 |
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OH22 .149 -.0031 .696 .0089 |
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O23 .690 .4522 .869 .0110 |
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O24 .833 .0057 .752 .0390 |
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O25 .776 .4577 .640 .0287 |
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O26 .814 .3015 .783 .0029 |
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OH27 .628 .2883 .788 .0260 |
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O28 .939 .3032 .628 .0115 |
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O29 .999 .3132 .868 .0251 |
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O30 .763 .2643 .636 .0263 |
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O31 .748 .2403 .873 .0269 |
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O32 .707 .0364 .624 .0304 |
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O33 .751 .0604 .860 .0261 |
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O34 .218 .3355 .858 .0136 |
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O35 .229 .3549 .613 .0314 |
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O36 .968 .0131 .607 .0205 |
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O37 .002 -.0004 .850 .0491 |
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Wat38 .353 .0757 .993 .0438 |
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Wat39 .073 .4484 .980 .0269 |
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Wat40 .386 .146 .981 .0512 |
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Wat41 .634 .319 .481 .1017 |
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Wat42 .627 .2146 .504 .0357 |
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Wat43 .713 .3954 .513 .0348 |
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Wat44 .945 .256 .478 .0468 |
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Wat45 .155 .098 .981 .0554 |
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Wat46 .006 -.051 .007 .1498 |
|
Wat47 .875 .363 .528 .0427 |
|
Wat48 .692 -.001 .975 .0548 |
|
|
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|
| |
|
Wyartite |
|
Burns P C, Finch R J |
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American Mineralogist 84 (1999) 1456-1460 |
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Wyartite: Crystallographic evidence for the first pentavalent-uranium mineral |
|
_database_code_amcsd 0002316 |
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11.2706 7.1055 20.807 90 90 90 P2_12_12_1 |
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atom x y z Uiso |
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U1 .5595 .2892 .23948 .0113 |
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U2 -.0593 .2897 .23585 .0109 |
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U3 .2490 .2919 .28343 .0117 |
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Ca -.0734 .4322 .0469 .0232 |
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C .241 .240 .423 .0320 |
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O1 .511 .310 .154 .0197 |
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O2 -.011 .314 .156 .0206 |
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O3 .110 .109 .2515 .0062 |
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O4 .388 .105 .267 .0182 |
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O5 .610 .282 .3205 .0050 |
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O6 -.112 .240 .316 .0281 |
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O7 .100 .463 .278 .0152 |
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O8 .390 .474 .272 .0158 |
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O9 .187 .126 .380 .0373 |
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O10 .224 .211 .4817 .0034 |
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O11 .286 .384 .3966 .0034 |
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OH12 .752 .285 .1980 .0156 |
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Wat13 -.252 .235 .0522 .0367 |
|
Wat14 .254 .363 .1670 .0308 |
|
Wat15 .459 .028 .0668 .0358 |
|
Wat16 .093 .629 .053 .0161 |
|
Wat17 .045 .159 .016 .0084 |
|
Wat18 .209 .036 .103 .0091 |
|
Wat19 -.079 -.082 -.058 .0254 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Wolsendorfite |
|
Burns P C |
|
American Mineralogist 84 (1999) 1661-1673 |
|
A new complex sheet of uranyl polyhedra in the structure of wolsendorfite |
|
_database_code_amcsd 0002332 |
|
14.131 13.885 55.969 90 90 90 Cmcm |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
U1 .23236 .28097 .25 .0153 .0171 .0085 .0042 0 0 |
|
U2 .24043 .48445 .07525 .0148 .0075 .0073 -.0021 .0018 -.0015 |
|
U3 .23354 .5 0 .0127 .0086 .0188 0 0 .0023 |
|
U4 .26009 .52736 .14137 .0160 .0078 .0059 -.0009 .0012 -.0003 |
|
U5 .26058 .25302 .10659 .0121 .0076 .0107 -.0005 .0003 -.0001 |
|
U6 .26867 .50400 .21281 .0145 .0155 .0124 -.0009 -.0011 .0062 |
|
U7 .24934 .27115 .03319 .0148 .0081 .0068 .0017 -.0013 -.0011 |
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U8 .24787 .24360 .18258 .0208 .0080 .0093 .0024 .0008 -.0011 |
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Pb1 .5 .70072 .13777 .0251 .0219 .0476 0 0 -.0042 |
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Pb2 .5 .3534 -.00028 .0375 .0348 .0243 0 0 .0049 |
|
Pb3 .5 .83007 .07678 .0268 .0253 .0469 0 0 -.0003 |
|
Pb4 .5 .08653 .18238 .0505 .0237 .0274 0 0 .0024 |
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Pb5 .5 .3206 .07673 .1030 .0203 .0182 0 0 .0004 |
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Pb6 0 .4681 .25 .76 .0722 .0260 .0288 0 0 0 |
|
Pb7 .5 .4363 .25 .48 .1199 .0157 .0510 0 0 0 |
|
Pb8 0 .1683 .21848 .30 .1029 .0609 .0363 0 0 .0311 |
|
Ba8 0 .1683 .21848 .36 .1029 .0609 .0363 0 0 .0311 |
|
Pb7A .5 .476 .25 .48 .0548 |
|
O1 .104 .305 .25 .0246 |
|
O2 .246 .596 .1043 .0159 |
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O3 .368 .498 .0708 .0276 |
|
O4 .360 .254 .25 .0234 |
|
O5 .268 .410 .1130 .0238 |
|
O6 .243 .347 .2132 .0215 |
|
O7 .387 .548 .1385 .0258 |
|
O8 .135 .508 .1459 .0320 |
|
O9 .391 .248 .1029 .0492 |
|
O10 .129 .257 .1091 .0478 |
|
O11 .124 .244 .0360 .0554 |
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O12 .272 .202 .1430 .0510 |
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O13 .375 .296 .0317 .0441 |
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O14 .229 .436 .0362 .0296 |
|
O15 .397 .486 .2128 .0530 |
|
O16 .114 .469 .0794 .0284 |
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O17 .362 .5 0 .0724 |
|
O18 .274 .584 .1791 .0439 |
|
O19 .141 .524 .2133 .0567 |
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O20 .272 .159 .0038 .0531 |
|
O21 .250 .318 .0723 .0665 |
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O22 .373 .221 .1881 .0286 |
|
O23 .123 .267 .1763 .0315 |
|
O24 .104 .5 0 .0729 |
|
O25 .298 .662 .2221 .0248 |
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O26 .265 .459 .25 .0701 |
|
OH27 .297 .393 .1662 .0211 |
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OH28 .292 .132 .0555 .0193 |
|
Wat29 .5 .153 .2241 .0208 |
|
Wat30 .5 .889 .1239 .0426 |
|
Wat31 .5 .393 .1692 .0378 |
|
Wat32 0 .127 .0923 .0301 |
|
Wat33 .5 .143 .0583 .0408 |
|
Wat34 .5 .495 .0343 .0306 |
|
Wat35 .5 .415 .1131 .0605 |
|
Wat36 .5 .210 .1468 .0328 |
|
Wat37 .5 .931 .0404 .0800 |
|
Wat38 0 .393 .2017 .0411 |
|
Wat39 .5 .172 .0103 .0618 |
|
Wat40 .5 .101 .1067 .0016 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Quetzalcoatlite |
|
Burns P C, Pluth J J, Smith J V, Eng P, Steele I M, Housley R M |
|
American Mineralogist 85 (2000) 604-607 |
|
Quetzalcoatlite: New octahedral-tetrahedral structure from 2x2x40 micron |
|
crystal at the Advanced Photon Source-GSE-CARS Facility |
|
_database_code_amcsd 0002428 |
|
10.145 10.145 4.9925 90 90 120 P-31m |
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atom x y z occ Uiso |
|
Te 1/3 2/3 1/2 .0095 |
|
Zn .20371 .4074 0 .0140 |
|
Cu 1/2 0 1/2 .0180 |
|
O .3508 .5190 .2850 .0143 |
|
OH 0 .2772 .158 .0290 |
|
Ag 0 0 0 .24 .0594 |
|
Pb 0 0 0 .30 .0594 |
|
Cl 0 0 1/2 .84 .0211 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Parsonsite |
|
Burns P C |
|
American Mineralogist 85 (2000) 801-805 |
|
A new uranyl phosphate chain in the structure of parsonsite |
|
_database_code_amcsd 0002459 |
|
6.842 10.383 6.670 101.265 98.174 86.378 P-1 |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
U .6164 .8406 .1126 .0330 .0214 .0164 .0033 .0093 .0041 |
|
Pb1 .3006 .5415 .2694 .0298 .0419 .0200 .0025 .0086 .0071 |
|
Pb2 .0451 .7739 .7204 .0370 .0314 .0316 .0018 .0091 .0016 |
|
P1 .534 .8187 .6302 .0263 .0159 .0078 .0080 .0038 .0045 |
|
P2 .814 .5492 .278 .0224 .0192 .0175 .0029 .0073 .0027 |
|
O1 .983 .636 .409 .0211 |
|
O2 .335 .484 .597 .0242 |
|
O3 .364 .785 .079 .0340 |
|
O4 .665 .727 .762 .0234 |
|
O5 .703 .625 .118 .0281 |
|
O6 .336 .752 .536 .0352 |
|
O7 .505 .060 .203 .0229 |
|
O8 .855 .899 .141 .0375 |
|
O9 .647 .854 .467 .0309 |
|
O10 .915 .422 .168 .0291 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Agrinierite |
|
Cahill C L, Burns P C |
|
American Mineralogist 85 (2000) 1294-1297 |
|
The structure of agrinierite: a Sr-containing uranyl oxide hydrate mineral |
|
_database_code_amcsd 0002511 |
|
14.094 14.127 24.106 90 90 90 F2mm |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
U1 .3723 .2336 .5 .015 .013 .017 .014 .000 0 0 |
|
U2 .5803 .2710 .5903 .014 .008 .014 .019 .001 -.001 .002 |
|
U3 .6160 .25 .75 .014 .011 .015 .017 0 0 .004 |
|
U4 .3279 .2402 .3399 .014 .008 .015 .017 .001 .002 -.003 |
|
Sr1 .6753 0 .6584 .35 .026 |
|
Ca1 .6753 0 .6584 .65 .026 |
|
K2 .4930 .5 .5 .039 .061 .043 .011 0 0 0 |
|
K3 .6541 .5 .6699 .041 .048 .021 .054 0 .009 0 |
|
K4 .5629 0 .5 .027 .018 .042 .022 0 0 0 |
|
O1 .2994 .3629 .3508 .007 |
|
O2 .5579 .3972 .5847 .017 |
|
OH4 .7434 .3036 .5646 .023 |
|
O5 .5420 .2640 .5 .027 |
|
O6 .4300 .2429 .4128 .025 |
|
O7 .6700 .2025 .8338 .012 |
|
OH8 .4817 .2908 .3095 .021 |
|
O9 .8980 .3900 .5 .013 |
|
O10 .6098 .1446 .5937 .019 |
|
O11 .2810 .25 .25 .012 |
|
O12 .3558 .1180 .3281 .022 |
|
O13 .6146 .1255 .7231 .020 |
|
O14 .3400 .3590 .5 .028 |
|
Wat1 .4650 .5 .6860 .050 |
|
Wat2 .2950 .5 .7400 .026 |
|
Wat3 .2390 .5 .5628 .021 |
|
Wat4 .5020 0 .6420 .038 |
|
Wat5 .7760 .5 .5750 .038 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Thornasite |
|
Li Y, Krivovichev S V, Burns P C |
|
American Mineralogist 85 (2000) 1521-1525 |
|
The crystal structure of thornasite: A novel interrupted silicate framework |
|
_database_code_amcsd 0002591 |
|
29.124 29.124 17.2602 90 90 120 R-3c |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Th .15425 .82091 1/12 .017 .017 .014 .009 -.001 .001 |
|
Si1 .1684 .9008 -.0861 .016 .020 .012 .007 .001 .005 |
|
Si2 .0641 .8073 -.0689 .014 .019 .017 .008 -.002 -.001 |
|
Si3 .1595 .9499 .0598 .016 .013 .017 .007 .000 .002 |
|
Si4 .0991 .7289 -.0929 .017 .012 .013 .006 -.001 .001 |
|
Si5 .0645 .9663 .0512 .036 .039 .060 .022 .000 -.003 |
|
Si6 0 0 .3415 .039 .039 .079 .020 0 0 |
|
Na1 .1486 .8954 .2413 .114 .076 .030 .065 .008 .003 |
|
Na2 .0287 .8237 .1184 .060 .141 .053 .059 -.004 .009 |
|
O1 .1925 .8713 -.0390 .027 .028 .019 .017 .007 .010 |
|
O2 .1629 .9054 .1074 .045 .016 .017 .017 -.004 .000 |
|
O3 .1362 .7548 -.0195 .031 .025 .023 .016 -.016 -.008 |
|
O4 .0769 .8109 .0204 .019 .038 .015 .016 -.002 -.004 |
|
O5 .0082 .8033 -.0885 .018 .054 .017 .019 .001 -.001 |
|
O6 .0587 2/3 -1/12 .022 .011 .041 .006 .006 .011 |
|
O7 .0628 .7563 -.1099 .029 .021 .022 .017 -.007 -.005 |
|
O8 .1086 .8592 -.1150 .017 .019 .024 .003 -.004 .005 |
|
O9 .1658 .9465 -.0346 .030 .017 .015 .010 -.001 .001 |
|
O10 .1998 .9313 -.1628 .029 .040 .018 .018 .013 .017 |
|
O11 .1033 .9466 .0762 .028 .065 .046 .034 .002 .010 |
|
O12 .0960 .0159 -.0067 .066 .049 .089 .022 .008 .023 |
|
O13 0 0 .25 .000 .000 .089 .000 0 0 |
|
O14 .0432 .9822 .1254 .053 .083 .084 .043 .011 -.009 |
|
Wat15 .2323 0 .25 .210 .210 .040 .107 .012 .023 |
|
Wat16 .0998 .9422 .2668 .210 .170 .130 .090 -.025 .029 |
|
Wat17 0 .8910 .25 .370 .370 .380 .187 -.003 -.002 |
|
Wat18 .3072 .0421 .3408 .155 .080 .121 .051 .058 -.009 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Dukeite |
| |
Burns P C, Roberts A C, Stirling J A R, Criddle A J, Feinglos M N |
|
American Mineralogist 85 (2000) 1822-1827 |
|
Dukeite, Bi24Cr8O57(OH)6(H2O)3, a new mineral from Brejauba, Minas Gerais, |
|
Brazil: Description and crystal structure |
|
_database_code_amcsd 0002599 |
|
15.067 15.067 15.293 90 90 120 P31c |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Bi1 -.0237 .8074 .0630 .0192 .0379 .0200 .0184 .0038 .0056 |
|
Bi2 .6928 .6693 .0676 .0160 .0263 .0130 .0117 -.0023 .0024 |
|
Bi3 .8309 .5245 .0646 .0149 .0175 .0142 .0054 .0021 -.0022 |
|
Bi4 .6752 .4764 .2600 .0176 .0133 .0095 .0112 .0008 -.0001 |
|
Bi5 .0251 .7021 .2652 .0155 .0151 .0100 .0083 .0007 .0028 |
|
Bi6 .2921 .8245 .2649 .0201 .0190 .0078 .0136 .0012 .0002 |
|
Bi7 .1701 .9740 .2603 .0228 .0163 .0124 .0118 -.0002 -.0043 |
|
Bi8 .1261 .6464 .0651 .0535 .0188 .0050 .0075 -.0009 .0009 |
|
Cr1 .166 .836 -.089 .0149 |
|
Cr2 2/3 1/3 -.092 .0044 |
|
Cr3 0 0 -.088 .0258 |
|
Cr4 -.002 .494 -.0999 .0133 |
|
O1 .171 .832 .328 .0096 |
|
O2 .290 .947 .204 .0096 |
|
OH3 .830 .660 -.004 .0096 |
|
O4 .553 .340 .201 .0096 |
|
O5 .041 .841 .197 .0096 |
|
O6 .841 .790 .122 .0096 |
|
O7 .709 .548 .132 .0096 |
|
O8 .968 .655 .112 .0096 |
|
O9 .160 .832 .019 .0096 |
|
O10 2/3 1/3 .015 .0096 |
|
O11 0 0 -.194 .0096 |
|
O12 -.004 .497 -.207 .0096 |
|
O13 -.020 .093 -.062 .0096 |
|
O14 -.027 .579 -.062 .0096 |
|
O15 -.086 .380 -.063 .0096 |
|
O16 .671 .234 -.131 .0096 |
|
O17 .191 .751 -.126 .0096 |
|
O18 .263 .942 -.122 .0096 |
|
O19 .055 .813 -.126 .0096 |
|
O20 .109 .516 -.065 .0096 |
|
O21 2/3 1/3 .33 .0096 |
|
O22 .148 .707 .193 .0096 |
|
OH23 .017 .500 .105 .0096 |
|
Wat24 .339 .744 .105 .0096 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Zircon |
|
Finch R J, Hanchar J M, Hoskin P W O, Burns P C |
|
American Mineralogist 86 (2001) 681-689 |
|
Rare-earth elements in synthetic zircon: Part 2. A single-crystal |
|
X-ray study of xenotime substitution |
|
Sample: pure zircon #38 |
|
_database_code_amcsd 0002643 |
|
6.6102 6.6102 5.986 90 90 90 *I4_1/amd |
|
0 -.25 .125 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Si 0 .75 5/8 |
|
Zr 0 .75 1/8 |
|
O 0 .0657 .1961 .010 .006 .003 0 0 .000 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Zircon |
|
Finch R J, Hanchar J M, Hoskin P W O, Burns P C |
|
American Mineralogist 86 (2001) 681-689 |
|
Rare-earth elements in synthetic zircon: Part 2. A single-crystal |
|
X-ray study of xenotime substitution |
|
Sample: Dy (15) |
|
_database_code_amcsd 0002644 |
|
6.6139 6.6139 5.985 90 90 90 *I4_1/amd |
|
0 -.25 .125 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Si 0 .75 5/8 |
|
Zr 0 .75 1/8 |
|
O 0 .0658 .1954 .012 .009 .008 0 0 .000 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Zircon |
|
Finch R J, Hanchar J M, Hoskin P W O, Burns P C |
|
American Mineralogist 86 (2001) 681-689 |
|
Rare-earth elements in synthetic zircon: Part 2. A single-crystal |
|
X-ray study of xenotime substitution |
|
Sample: Dy (12) |
|
_database_code_amcsd 0002645 |
|
6.6175 6.6175 5.989 90 90 90 *I4_1/amd |
|
0 -.25 .125 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Si 0 .75 5/8 |
|
Zr 0 .75 1/8 |
|
O 0 .0658 .1955 .011 .007 .007 0 0 .000 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Zircon |
|
Finch R J, Hanchar J M, Hoskin P W O, Burns P C |
|
American Mineralogist 86 (2001) 681-689 |
|
Rare-earth elements in synthetic zircon: Part 2. A single-crystal |
|
X-ray study of xenotime substitution |
|
Sample: Sm+P (28) |
|
_database_code_amcsd 0002646 |
|
6.6119 6.6119 5.983 90 90 90 *I4_1/amd |
|
0 -.25 .125 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Si 0 .75 5/8 |
|
Zr 0 .75 1/8 |
|
O 0 .0658 .1953 .009 .006 .006 0 0 .000 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Zircon |
|
Finch R J, Hanchar J M, Hoskin P W O, Burns P C |
|
American Mineralogist 86 (2001) 681-689 |
|
Rare-earth elements in synthetic zircon: Part 2. A single-crystal |
|
X-ray study of xenotime substitution |
|
Sample: Gd+P (30) |
|
_database_code_amcsd 0002647 |
|
6.6213 6.6213 5.9879 90 90 90 *I4_1/amd |
|
0 -.25 .125 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Si 0 .75 5/8 |
|
Zr 0 .75 1/8 |
|
O 0 .0660 .1959 .008 .006 .005 0 0 .000 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Zircon |
|
Finch R J, Hanchar J M, Hoskin P W O, Burns P C |
|
American Mineralogist 86 (2001) 681-689 |
|
Rare-earth elements in synthetic zircon: Part 2. A single-crystal |
|
X-ray study of xenotime substitution |
|
Sample: Dy+P (33) |
|
_database_code_amcsd 0002648 |
|
6.626 6.626 5.986 90 90 90 *I4_1/amd |
|
0 -.25 .125 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Si 0 .75 5/8 |
|
Zr 0 .75 1/8 |
|
O 0 .0664 .1963 .008 .005 .005 0 0 .000 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Zircon |
|
Finch R J, Hanchar J M, Hoskin P W O, Burns P C |
|
American Mineralogist 86 (2001) 681-689 |
|
Rare-earth elements in synthetic zircon: Part 2. A single-crystal |
|
X-ray study of xenotime substitution |
|
Sample: Er+P (36) |
|
_database_code_amcsd 0002649 |
|
6.6355 6.6355 5.989 90 90 90 *I4_1/amd |
|
0 -.25 .125 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Si 0 .75 5/8 |
|
Zr 0 .75 1/8 |
|
O 0 .0663 .1964 .010 .007 .006 0 0 .000 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Zircon |
|
Finch R J, Hanchar J M, Hoskin P W O, Burns P C |
|
American Mineralogist 86 (2001) 681-689 |
|
Rare-earth elements in synthetic zircon: Part 2. A single-crystal |
|
X-ray study of xenotime substitution |
|
Sample: Yb+P (40) |
|
_database_code_amcsd 0002650 |
|
6.6265 6.6265 5.979 90 90 90 *I4_1/amd |
|
0 -.25 .125 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Si 0 .75 5/8 |
|
Zr 0 .75 1/8 |
|
O 0 .0664 .1965 .009 .006 .006 0 0 .000 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Zircon |
|
Finch R J, Hanchar J M, Hoskin P W O, Burns P C |
|
American Mineralogist 86 (2001) 681-689 |
|
Rare-earth elements in synthetic zircon: Part 2. A single-crystal |
|
X-ray study of xenotime substitution |
|
Sample: Y+P (43) |
|
_database_code_amcsd 0002651 |
|
6.6329 6.6329 5.986 90 90 90 *I4_1/amd |
|
0 -.25 .125 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Si 0 .75 5/8 |
|
Zr 0 .75 1/8 |
|
O 0 .0663 .1964 .008 .007 .006 0 0 .000 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Becquerelite |
|
Burns P C, Li Y |
|
American Mineralogist 87 (2002) 550-557 |
|
The structures of becquerelite and Sr-exchanged becquerelite |
|
_database_code_amcsd 0002789 |
|
13.8527 12.3929 14.9297 90 90 90 Pn2_1a |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
U1 .9104 .4404 .7417 .0095 .0072 .0087 .0127 .0011 -.0009 .0008 |
|
U2 .8717 .7513 .7525 .0096 .0079 .0068 .0141 .0013 .0002 -.0005 |
|
U3 .9058 .0597 .7493 .0087 .0056 .0079 .0126 -.0003 .0001 -.0014 |
|
U4 .6267 .2479 .7221 .0087 .0074 .0063 .0124 .0008 -.0002 -.0010 |
|
U5 .6574 .5614 .7087 .0103 .0073 .0081 .0154 -.0012 -.0016 .0009 |
|
U6 .6515 .9333 .7112 .0092 .0066 .0101 .0108 .0014 -.0001 -.0001 |
|
Ca .9572 .4221 .4656 .0175 .0197 .0204 .0123 -.0062 -.0049 .0055 |
|
O1 .9463 .457 .6264 .0175 |
|
O2 .869 .418 .8523 .0286 |
|
O3 .9265 .7668 .6445 .0219 |
|
O4 .8221 .743 .8627 .0177 |
|
O5 .9411 .029 .6345 .0137 |
|
O6 .8708 .094 .8611 .0194 |
|
O7 .6037 .250 .6035 .0195 |
|
O8 .6569 .249 .8388 .0209 |
|
O9 .6631 .550 .5895 .0169 |
|
O10 .6477 .580 .8266 .0290 |
|
O11 .6679 .951 .5929 .0161 |
|
O12 .6263 .904 .8280 .0155 |
|
O13 .8179 .585 .7190 .0185 |
|
O14 .0654 .415 .7758 .0138 |
|
O15 .8080 .916 .7429 .0127 |
|
O16 .5629 .084 .7232 .0179 |
|
OH1 .9904 .620 .8024 .0137 |
|
OH2 .9496 .244 .7199 .0157 |
|
OH3 .7561 .379 .6924 .0109 |
|
OH4 .6959 .748 .6839 .0162 |
|
OH5 .9858 .8822 .8077 .0084 |
|
OH6 .7554 .126 .6939 .0110 |
|
Wat1 .8897 .605 .4870 .0230 |
|
Wat2 .1230 .412 .5223 .0314 |
|
Wat3 .9469 .245 .5220 .0261 |
|
Wat4 .777 .388 .4980 .0256 |
|
Wat5 .6983 .758 .4978 .0391 |
|
Wat6 .977 .886 .983 .0633 |
|
Wat7 .545 .091 .477 .0385 |
|
Wat8 .7829 .125 .5050 .0265 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Becquerelite |
|
Burns P C, Li Y |
|
American Mineralogist 87 (2002) 550-557 |
|
The structures of becquerelite and Sr-exchanged becquerelite |
|
put occ in tables |
|
Sample: Sr-exchanged becquerelite |
|
_database_code_amcsd 0002790 |
|
7.020 7.020 6.992 90 90 120 P3 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
U1 .9564 .6605 .365 .0238 .0176 .0121 .0275 -.0032 .0000 .0000 |
|
Sr1 2/3 1/3 -.137 .61 .0389 .0200 .0200 .0767 .0100 0 0 |
|
Sr2 0 0 .866 .66 .0395 .0435 .0435 .0315 .0217 0 0 |
|
O1 .981 .693 .117 .0761 |
|
O2 .949 .689 .630 .0474 |
|
OH3 .319 .914 .320 .0330 |
|
O4 2/3 1/3 .314 .0196 |
|
O5 0 0 .314 .0061 |
|
Wat6 .334 .921 .892 .0381 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Allabogdanite |
| |
Britvin S N, Rudashevsky N S, Krivovichev S V, Burns P C, Polekhovsky Y S |
|
American Mineralogist 87 (2002) 1245-1249 |
|
Allabogdanite, (Fe,Ni)2P, a new mineral from the Onello meteorite: |
|
The occurence and crystal structure |
|
_database_code_amcsd 0002898 |
|
5.792 3.564 6.691 90 90 90 Pnma |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Fe1 .3577 .25 .9357 .75 .0095 .0129 .0084 .0072 0 .0001 0 |
|
Ni1 .3577 .25 .9357 .25 .0095 .0129 .0084 .0072 0 .0001 0 |
|
Fe2 .4693 .25 .3324 .75 .0111 .014 .0114 .0080 0 .0010 0 |
|
Ni2 .4693 .25 .3324 .25 .0111 .014 .0114 .0080 0 .0010 0 |
|
P .2443 .25 .6225 .0071 .009 .007 .005 0 .0002 0 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Autunite |
|
Locock A J, Burns P C |
|
American Mineralogist 88 (2003) 240-244 |
|
The crystal structure of synthetic autunite, Ca[(UO2)(PO4)]2(H2O)11 |
|
_database_code_amcsd 0002977 |
|
14.0135 20.7121 6.9959 90 90 90 Pnma |
|
atom x y z occ Uiso |
|
U1 .1250 .5412 .7498 .012 |
|
P1 .1245 .5003 .2478 .013 |
|
Ca1 .1251 .7500 .4501 .860 .029 |
|
O1 .1235 .4551 .7482 .026 |
|
O2 .1250 .6278 .7472 .021 |
|
O3 .1252 .5440 .0733 .029 |
|
O4 .0373 .4560 .2451 .028 |
|
O5 .2118 .4557 .2553 .032 |
|
O6 .1206 .5452 .4226 .023 |
|
O7 .7591 .2500 .2851 .041 |
|
O8 .2368 .6647 .3510 .072 |
|
O9 .0126 .6645 .3438 .063 |
|
O10 .0002 .2500 .2833 .055 |
|
O11 .1263 .7500 .0757 .039 |
|
O12 .3257 .6614 -.0255 .062 |
|
O13 .0759 .3379 .0243 .057 |
|
H1 .7260 .2830 .2220 .050 |
|
H2 .1970 .6330 .4120 .050 |
|
H3 .2210 .6540 .2150 .050 |
|
H4 .0330 .6191 .3350 .050 |
|
H5 .0080 .6650 .2010 .050 |
|
H6 .0370 .2851 .2330 .050 |
|
H7 .1300 .7056 .0440 .050 |
|
H8 .2720 .6740 .0580 .050 |
|
H9 .3972 .6550 -.0270 .050 |
|
H10 .0680 .3819 .0750 .050 |
|
H11 .1483 .3360 .0220 .050 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Cafetite |
|
Krivovichev S V, Yakovenchuk V N, Burns P C, Pakhomovsky Y A, Menshikov Y P |
|
American Mineralogist 88 (2003) 424-429 |
|
Cafetite, Ca[Ti2O5](H2O): Crystal structure and revision of chemical formula |
|
Locality: alkaline rocks in the Afrikanda massif, Kola peninsula, Russia. |
|
_database_code_amcsd 0002986 |
|
4.9436 12.109 15.911 90 98.937 90 P2_1/n |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ti1 .8280 .69732 .45767 .0081 .0090 .0066 .0076 -.0003 -.0021 .0000 |
|
Ti2 .2259 .51318 .43865 .0094 .0102 .0088 .0083 -.0001 -.0016 .0005 |
|
Ti3 .9742 .91031 .57249 .0078 .0091 .0074 .0060 .0002 -.0018 .0007 |
|
Ti4 .5820 .11252 .54933 .0077 .0091 .0069 .0060 .0001 -.0018 -.0004 |
|
Ca1 .5198 .95070 .74009 .0149 .0171 .0154 .0107 -.0022 -.0026 -.0011 |
|
Ca2 .5906 .30997 .37755 .0098 .0103 .0085 .0097 .0002 -.0016 -.0011 |
|
O1 .9544 .4030 .4588 .0087 .0079 .0103 .0072 .0010 -.0011 -.0010 |
|
O2 .6707 .8122 .5478 .0090 .0071 .0091 .0100 -.0013 -.0015 -.0019 |
|
O3 .8802 .1926 .5150 .0117 .0139 .0092 .0126 -.0016 .0033 -.0013 |
|
O4 .2691 .0043 .5342 .0087 .0107 .0088 .0063 .0001 .0006 .0010 |
|
O5 .5430 .6009 .4870 .0107 .0102 .0117 .0089 -.0007 -.0025 -.0006 |
|
O6 .4351 .2114 .6174 .0100 .0116 .0102 .0068 .0010 -.0034 -.0010 |
|
O7 .7844 .0199 .6331 .0101 .0099 .0120 .0071 .0007 -.0033 -.0007 |
|
O8 .1721 .8480 .6616 .0114 .0156 .0104 .0070 .0011 -.0018 -.0001 |
|
O9W .2450 .2208 .2645 .0154 .0150 .0220 .0073 .0019 -.0029 .0014 |
|
O10W .2148 .1098 .7410 .0153 .0160 .0179 .0112 -.0030 -.0014 -.0001 |
|
O11 .3218 .4661 .3440 .0144 .0190 .0129 .0105 .0076 .0008 -.0004 |
|
O12 .9673 .6219 .3763 .0126 .0140 .0139 .0096 .0048 -.0008 .0011 |
|
H1 .069 .211 .282 .0430 |
|
H2 .079 .083 .696 .0430 |
|
H3 .167 .246 .209 .0430 |
|
H4 .302 .162 .709 .0430 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Marecottite |
|
Brugger J, Burns P C, Meisser N |
|
American Mineralogist 88 (2003) 676-685 |
|
Contribution to the mineralogy of acid drainage of uranium minerals: |
|
Marecottite and the zippeite-group |
|
Locality: La Creusaz uranium prospect near Les Marecottes, Western Swiss Alps, Switzerland |
|
_database_code_amcsd 0003077 |
|
10.815 11.249 13.851 66.224 72.412 69.955 P-1 |
|
atom x y z occ Uiso |
|
U1 .5444 .8932 .1285 .015 |
|
U2 -.0290 .6004 .3627 .014 |
|
U3 .2059 .8722 .1226 .014 |
|
U4 .3110 .5786 .3648 .014 |
|
S1 .1232 .1251 -.1263 .015 |
|
S2 .3706 .3844 .6341 .016 |
|
Mg1 0 1/2 0 .62 .022 |
|
Mn1 0 1/2 0 .38 .022 |
|
Mg2 1/2 0 1/2 .72 .016 |
|
Mn2 1/2 0 1/2 .28 .016 |
|
Mg3 0 0 1/2 .82 .020 |
|
Mn3 0 0 1/2 .18 .020 |
|
O1 .2810 .7020 .4170 .034 |
|
O2 .6090 .0487 -.0225 .016 |
|
O3 .4410 .4593 .6514 .012 |
|
O4 .4480 .0060 .1933 .019 |
|
O5 .1150 .0918 -.0130 .018 |
|
O6 .1190 .5239 .4750 .017 |
|
O7 .2710 .0716 -.1720 .010 |
|
O8 .0510 .4630 .3182 .025 |
|
O9 .0410 .0603 -.1485 .017 |
|
O10 .4240 .2424 .6860 .013 |
|
O11 .0770 .2741 -.1712 .010 |
|
O12 .2270 .4300 .6718 .017 |
|
O13 .1730 .9697 .2030 .012 |
|
O14 -.1210 .7460 .3980 .028 |
|
O15 .3590 .4482 .3091 .020 |
|
O16 .3960 .4032 .5178 .020 |
|
O17 .1420 .7033 .2643 .017 |
|
OH18 .4050 .7255 .1927 .021 |
|
O19 .2280 .7850 .0330 .026 |
|
O20 .6470 .7720 .0700 .029 |
|
Wat21 .4070 .8790 .4730 .032 |
|
Wat22 .1820 .0140 .3878 .029 |
|
Wat23 .9170 .9890 .3890 .041 |
|
Wat24 .9360 .2110 .4390 .029 |
|
Wat25 .1060 .3010 .0750 .035 |
|
Wat26 .6060 .0430 .3380 .039 |
|
Wat27 -.1540 .4920 .1388 .029 |
|
Wat28 .1130 .5700 .0560 .040 |
|
Wat29 .3400 .1730 .4500 .033 |
|
Wat30 .2480 .2700 .2230 .062 |
|
Wat31 .8820 .1800 .1900 .060 |
|
Wat32 .3330 .7170 .6720 .076 |
|
Wat33 .5020 .2950 .1070 .094 |
|
Wat34 .5870 .5260 .0890 .076 |
|
|
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|
| |
|
Fontanite |
|
Hughes K-A, Burns P C |
|
American Mineralogist 88 (2003) 962-966 |
|
A new uranyl carbonate sheet in the crystal structure of fontanite, |
|
Ca[(UO2)3(CO3)2O2](H2O)6 |
|
_database_code_amcsd 0003131 |
|
6.968 17.276 15.377 90 90.064 90 P2_1/n |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
U(1) .5267 .2371 .8372 .025 .011 .044 .020 -.002 -.003 .002 |
|
U(2) .0267 .2843 .7301 .024 .011 .036 .024 -.001 -.002 .002 |
|
U(3) .0257 .1952 .9483 .024 .010 .043 .019 -.001 -.003 .002 |
|
Ca(1) .9410 .5174 .7848 .043 .037 .052 .039 -.001 .000 .003 |
|
C(1) .5320 .3175 .6656 .001 |
|
C(2) .5270 .1688 .0150 .006 |
|
O(1) .0230 .2880 .9900 .049 |
|
O(2) .0400 .3509 .5966 .015 |
|
O(3) .5130 .1440 .7900 .049 |
|
Wat(4) -.0880 .4550 .9350 .059 |
|
O(5) .0130 .3746 .7780 .054 |
|
O(6) -.3160 .1764 .9690 .036 |
|
O(7) .8440 .2340 .8330 .037 |
|
O(8) .0280 .1451 .0940 .035 |
|
O(9) .6840 .2920 .7004 .030 |
|
O(10) .3700 .3022 .7074 .032 |
|
O(11) .2070 .2380 .8348 .029 |
|
O(12) .5410 .3314 .8904 .036 |
|
O(13) .3710 .1867 .9776 .021 |
|
O(14) .0360 .0993 .9098 .030 |
|
Wat(15) .7860 .6070 .8880 .041 |
|
Wat(16) .2390 .4930 .6900 .055 |
|
Wat(17) .2030 .5710 .8690 .062 |
|
Wat(18) .8080 .4980 .6390 .052 |
|
Wat(19) .5900 .4760 .7980 .082 |
|
O(20) .0380 .1998 .6699 .033 |
|
|
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|
| |
|
Studtite |
|
Burns P C, Hughes K-A |
|
American Mineralogist 88 (2003) 1165-1168 |
|
Studtite, [(UO2)(O2)(H2O)2](H2O)2: The first structure of a peroxide mineral |
|
_database_code_amcsd 0003153 |
|
14.068 6.721 8.428 90 123.356 90 C2/c |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
U1 0 0 0 .0193 .0221 .0241 .0157 -.0001 .0130 -.0005 |
|
O1 .0073 -.249 .074 .031 .045 .027 .028 .000 .025 -.002 |
|
O2 .0623 .114 .3081 .028 .032 .029 .029 -.009 .021 -.008 |
|
O3 .2026 .038 .179 .039 .029 .061 .024 .001 .012 -.006 |
|
O4 -.1565 -.524 .061 .031 .030 .029 .038 -.006 .020 -.006 |
|
H1 .255 .03 .317 .03 |
|
H2 .242 -.06 .15 .03 |
|
H3 -.102 -.44 .06 .03 |
|
H4 -.131 -.662 .08 .03 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Glagolevite |
| |
Krivovichev S V, Armbruster T, Organova N I, Burns P C, Seredkin M V, Chukanov N V |
|
American Mineralogist 89 (2004) 1138-1141 |
|
Incorporation of sodium into the chlorite structure: the crystal structure |
|
of glagolevite, Na(Mg,Al)6[Si3AlO10](OH,O)8 |
|
_database_code_amcsd 0003597 |
|
5.3580 9.2810 14.574 90.00 97.08 90.00 C1 |
|
atom x y z occ Uiso |
|
Mg1 .242 .5794 .4995 .0075 |
|
Mg2 -.259 -.5860 -.4995 .0075 |
|
Mg3 .246 .2457 .4986 .0075 |
|
Mg4 .243 .7495 .0011 .0075 |
|
Mg5 .247 .4145 .9999 .0075 |
|
Mg6 -.253 -.4189 -.9991 .0075 |
|
Na1 -.512 .751 .805 .30 .035 |
|
Na2 -.556 -.735 -.793 .10 .035 |
|
Na3 .414 -.426 -.803 .18 .035 |
|
Si1 -.0333 .5797 .6897 .0063 |
|
Si2 .488 .738 .6758 .199 .0063 |
|
Si3 .4876 .4198 .6921 .801 .0063 |
|
Si4 .0194 -.5837 -.6897 .0063 |
|
Si5 -.457 -.4107 -.6878 .383 .0063 |
|
Si6 -.5006 -.7581 -.6930 .617 .0063 |
|
O1 -.059 .5824 .5764 .0106 |
|
O2 .253 .5163 .7300 .801 .0106 |
|
O3 -.038 .7469 .7316 .801 .0106 |
|
O4 -.237 .4792 .7357 .801 .0106 |
|
O5 .256 .641 .710 .199 .0106 |
|
O6 -.039 .4050 .710 .199 .0106 |
|
O7 -.266 .661 .729 .199 .0106 |
|
O8 .430 .7481 .5664 .0106 |
|
O9 .263 -.490 -.720 .383 .0106 |
|
O10 -.248 -.509 -.7309 .383 .0106 |
|
O11 .070 -.747 -.726 .383 .0106 |
|
O12 .058 -.5843 -.5780 .0106 |
|
O13 .223 -.687 -.7344 .617 .0106 |
|
O14 .033 -.4226 -.7345 .617 .0106 |
|
O15 -.256 -.658 -.7309 .617 .0106 |
|
O16 -.447 -.7517 -.5785 .0106 |
|
O17 .436 .4140 .5719 .0106 |
|
O18 -.447 -.4204 -.5782 .0106 |
|
OH19 .409 .5841 .9286 .0106 |
|
OH20 -.378 -.5846 -.9307 .0106 |
|
OH21 .116 .5829 .0709 .0106 |
|
OH22 -.092 -.5868 -.0735 .0106 |
|
OH23 .619 .7511 .0719 .0106 |
|
OH24 -.598 -.7477 -.0690 .0106 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Hallimondite |
|
Locock A J, Burns P C, Flynn T M |
|
American Mineralogist 90 (2005) 240-246 |
|
The role of water in the structures of synthetic hallimondite, Pb2[(UO2)(AsO4)2](H2O)n |
|
and synthetic parsonsite, Pb2[(UO2)(PO4)2](H2O)n, 0 < n < 0.5 |
|
_database_code_amcsd 0003720 |
|
7.1153 10.4780 6.8571 101.178 95.711 86.651 P-1 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
U1 .6186 .8400 .0988 .010 .016 .007 .008 .001 .003 .001 |
|
Pb1 .3090 .5416 .2785 .016 .018 .019 .012 -.001 .003 .002 |
|
Pb2 .0451 .7776 .7170 .018 .021 .012 .022 .001 .006 .000 |
|
As1 .5365 .8167 .6206 .009 .013 .007 .007 .000 .002 .000 |
|
As2 .8238 .5494 .2763 .010 .011 .009 .009 .001 .001 .002 |
|
O1 .0022 .6340 .4155 .018 .012 .022 .018 -.005 -.002 .000 |
|
O2 .3486 .4738 .5851 .014 .013 .019 .013 .000 .005 .007 |
|
O3 .3859 .7840 .0731 .021 .019 .025 .019 -.004 .002 .005 |
|
O4 .6811 .7288 .7623 .015 .022 .015 .007 .003 .000 .002 |
|
O5 .7149 .6298 .1057 .020 .034 .011 .013 .006 -.001 .004 |
|
O6 .3323 .7477 .5346 .017 .014 .017 .017 -.004 .002 -.003 |
|
O7 .5018 .0540 .1927 .019 .040 .009 .008 .008 .002 .001 |
|
O8 .8504 .8978 .1144 .021 .022 .022 .021 -.009 .005 .002 |
|
O9 .6524 .8562 .4429 .019 .022 .023 .013 -.002 .004 .005 |
|
O10 .9230 .4099 .1582 .021 .029 .014 .019 .009 .009 .002 |
|
Wat11 .0500 .9720 .4740 .29 .073 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Parsonsite |
|
Locock A J, Burns P C, Flynn T M |
|
American Mineralogist 90 (2005) 240-246 |
|
The role of water in the structures of synthetic hallimondite, Pb2[(UO2)(AsO4)2](H2O)n |
|
and synthetic parsonsite, Pb2[(UO2)(PO4)2](H2O)n, 0 < n < 0.5 |
|
_database_code_amcsd 0003721 |
|
6.8432 10.4105 6.6718 101.418 98.347 86.264 P-1 |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
U1 .6163 .8401 .1140 .012 .016 .008 .011 .000 .003 .002 |
|
Pb1 .3010 .5450 .2703 .017 .018 .019 .014 -.001 .003 .003 |
|
Pb2 .0457 .7735 .7226 .017 .019 .011 .020 .000 .004 .000 |
|
P1 .5348 .8178 .6329 .011 .014 .008 .010 .001 .002 .001 |
|
P2 .8156 .5490 .2778 .011 .012 .009 .012 .001 .001 .002 |
|
O1 .9827 .6338 .4061 .016 .019 .013 .016 -.001 .002 -.001 |
|
O2 .3352 .4808 .5929 .018 .018 .020 .017 -.002 .003 .008 |
|
O3 .3673 .7895 .0765 .020 .019 .020 .022 .001 .002 .006 |
|
O4 .6695 .7313 .7665 .016 .024 .011 .013 .007 .004 .005 |
|
O5 .7018 .6219 .1158 .017 .026 .012 .013 .005 .001 .005 |
|
O6 .3402 .7547 .5399 .017 .015 .015 .021 -.003 .002 .002 |
|
O7 .5007 .0597 .1997 .017 .028 .009 .015 .005 .008 .004 |
|
O8 .8608 .8934 .1421 .022 .018 .026 .023 -.004 .001 .005 |
|
O9 .6434 .8524 .4693 .017 .025 .015 .012 -.004 .004 .004 |
|
O10 .9147 .4231 .1644 .017 .017 .014 .021 .004 .004 .007 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Oursinite |
|
Kabatko K A, Burns P C |
|
American Mineralogist 91 (2006) 333-336 |
|
A novel arrangement of silicate tetrahedra in the uranyl silicate sheet of |
|
oursinite, (Co0.8Mg0.2)[(UO2)(SiO3OH)]2(H2O)6 |
|
_database_code_amcsd 0004122 |
|
7.0494 17.550 12.734 90 90 90 Cmca |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Co 0 .5 0 .8 .0218 .0242 .0186 .0225 0 0 -.0014 |
|
Mg 0 .5 0 .2 .0218 .0242 .0186 .0225 0 0 -.0014 |
|
U 0 .20567 .18049 .01210 .00754 .0177 .01106 0 0 .0007 |
|
Si 0 .2991 -.0716 .0140 .0131 .0198 .0091 0 0 .0017 |
|
O1 0 .1035 .1685 .023 .020 .015 .034 0 0 -.001 |
|
O2 0 .3082 .1944 .022 .030 .023 .014 0 0 -.002 |
|
O3 0 .2261 .0060 .0177 .019 .022 .012 0 0 -.001 |
|
O4 .1756 .3003 -.1538 .0188 .009 .035 .013 -.001 .001 .003 |
|
Oh5 0 .3779 .0016 .022 .034 .017 .017 0 0 -.003 |
|
Ow6 .2006 .4979 .1177 .050 .052 .036 .062 .001 -.029 -.013 |
|
Ow7 .5 .3998 .1212 .036 .050 .026 .031 0 0 .002 |
|
H1 0 .382 .076 .05 |
|
H2 .275 .483 .062 .05 |
|
H3 .231 .549 .136 .05 |
|
H4 .5 .369 .183 .05 |
|
H5 .5 .377 .053 .05 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ba(NpO2)(PO4)(H2O) |
| |
Forbes T Z, Burns P C |
|
American Mineralogist 91 (2006) 1089-1093 |
|
Ba(NpO2)(PO4)(H2O), its relationship to the uranophane group, and implications |
|
for Np incorporation in uranyl minerals |
|
_database_code_amcsd 0004163 |
|
6.905 7.108 13.321 90 105.02 90 P2_1/n |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ba .2154 .4401 .1433 .016 .017 .013 .018 .000 .005 .002 |
|
Np .7031 .7643 .1766 .010 .012 .008 .008 .000 .001 -.001 |
|
P .8430 .7792 .4226 .011 .015 .008 .008 .001 .001 .000 |
|
O1 .7188 .0999 .1451 .014 .023 .008 .010 .002 .000 .005 |
|
O2 .6383 .4321 .1608 .013 .025 .006 .006 .000 -.001 -.002 |
|
O3 .8181 .3373 .0264 .016 .015 .020 .014 .001 .007 .002 |
|
O4 .9487 .7123 .6973 .016 .016 .014 .006 -.001 .003 .003 |
|
O5 .5540 .7434 .9961 .016 .017 .020 .008 -.002 .001 .001 |
|
O6 .9620 .7296 .1652 .019 .017 .019 .025 .000 .013 .001 |
|
O7 .1597 .0614 .1251 .038 .038 .021 .058 .004 .016 .003 |
|
H7A .232 .957 .101 .050 |
|
H7B .184 .079 .070 .050 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Metaschoepite |
|
Klingensmith A L, Deely K M, Kinman W S, Kelly V, Burns P C |
| |
American Mineralogist 92 (2007) 662-669 |
|
Neptunium incorporation in sodium-substituted metaschoepite |
|
Locality: Katanga, Congo |
|
Sample: Natural |
|
_database_code_amcsd 0004315 |
|
14.6801 14.0287 16.7196 90 90 90 Pbcn |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Na21 .503 .672 .295 .24 .040 |
|
U1 .23381 .74397 .37478 .01545 .0264 .00816 .0118 -.00032 .0002 -.00215 |
|
U2 .28634 .76845 .60325 .01605 .0315 .00797 .00865 .0026 -.0018 -.00103 |
|
U3 .25577 .51214 .23933 .01607 .0328 .0084 .00695 .0007 -.0014 .00036 |
|
U4 .25591 .51731 .51083 .01707 .0316 .00946 .0101 -.0007 .0015 .00165 |
|
O1 .1748 .7406 .6145 .035 |
|
O2 .1475 .4622 .2320 .032 |
|
O3 .1206 .7443 .4156 .026 |
|
O4 .4098 .7847 .5967 .019 |
|
O5 .3678 .5610 .2511 .024 |
|
O6 .1391 .5483 .5295 .021 |
|
O7 .3420 .7440 .3315 .028 |
|
O8 .3699 .4841 .4895 .026 |
|
O9 .2517 .9229 .6173 .0184 |
|
OH10 .2082 .3619 .4680 .020 |
|
OH11 .2928 .6751 .4885 .028 |
|
OH12 .2144 .5628 .3722 .0140 |
|
OH13 .3117 .6015 .6385 .017 |
|
OH14 .1883 .6854 .2439 .0148 |
|
OH15 .1894 .8851 .3128 .016 |
|
Wat16A 0 .7528 .25 .59 .040 |
|
Wat16B 0 .659 .25 .47 .040 |
|
Wat17 .4994 .4181 .1441 .78 .040 |
|
Wat18 -.0195 .6443 .5691 .94 .040 |
|
Wat19 .0268 .5492 .3679 .81 .040 |
|
Wat20 .4972 .6469 .4223 .63 .040 |
|
Wat22 .5 .794 .25 .53 .040 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Metaschoepite |
|
Klingensmith A L, Deely K M, Kinman W S, Kelly V, Burns P C |
| |
American Mineralogist 92 (2007) 662-669 |
|
Neptunium incorporation in sodium-substituted metaschoepite |
|
Locality: synthetic |
|
Sample: Na-Ms-CRY |
|
_database_code_amcsd 0004316 |
|
14.7050 14.0565 16.7051 90 90 90 Pbcn |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Na21 .5025 .6593 .2756 .545 .040 |
|
U1 .23566 .739966 .382441 .01284 .02174 .00874 .00805 -.00061 -.00010 .00018 |
|
U2 .27743 .764029 .610028 .01368 .02134 .00830 .01139 .00077 -.00230 -.00190 |
|
U3 .25494 .515225 .242744 .01410 .02619 .00854 .00757 -.00025 -.00077 -.00003 |
|
U4 .25380 .517051 .515841 .01329 .02316 .00811 .00860 .00063 .00093 .00093 |
|
O1 .1613 .7403 .6273 .0321 .034 .022 .040 .000 .001 -.009 |
|
O2 .1407 .4769 .2292 .0305 .033 .039 .019 -.005 .001 -.005 |
|
O3 .1205 .7514 .4139 .0245 .019 .019 .036 .000 .003 .000 |
|
O4 .3964 .7804 .6015 .0183 .026 .018 .010 -.002 .000 -.004 |
|
O5 .3692 .5517 .2597 .0253 .030 .022 .024 .003 .000 -.004 |
|
O6 .1372 .5388 .5383 .0206 .020 .024 .018 .001 .006 .001 |
|
O7 .3487 .7302 .3468 .0255 .024 .026 .027 -.007 .002 -.011 |
|
O8 .3694 .4935 .4890 .0292 .030 .029 .028 .003 .006 .009 |
|
O9 .2419 .9185 .6219 .0217 .046 .012 .007 .006 -.003 .0004 |
|
OH10 .2113 .3613 .4716 .0172 .034 .008 .009 .001 -.001 -.0002 |
|
O11 .2737 .6741 .4984 .0245 .049 .017 .008 -.004 -.011 -.001 |
|
OH12 .2116 .5622 .3781 .0151 .030 .009 .006 .003 -.003 -.0011 |
|
OH13 .3086 .6001 .6456 .0152 .030 .009 .007 .000 .000 -.0002 |
|
OH14 .1936 .6859 .2487 .0153 .030 .011 .005 -.001 .000 .000 |
|
OH15 .2137 .8797 .3136 .0137 |
|
Wat16A 0 .723 .25 .39 .040 |
|
Wat16B 0 .681 .25 .46 .040 |
|
Wat17 .4924 .4026 .1551 .785 .040 |
|
Wat18 -.0195 .6642 .5530 .967 .040 |
|
Wat19 .0272 .5486 .3775 .926 .040 |
|
Wat20 .5067 .6224 .4010 .674 .040 |
|
Wat22 .5 .8186 .25 .774 .040 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Metaschoepite |
|
Klingensmith A L, Deely K M, Kinman W S, Kelly V, Burns P C |
| |
American Mineralogist 92 (2007) 662-669 |
|
Neptunium incorporation in sodium-substituted metaschoepite |
|
Locality: synthetic |
|
Sample: Na-Ms-CRY-Np |
|
_database_code_amcsd 0004317 |
|
14.6401 14.0417 16.7044 90 90 90 Pbcn |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Na21 .5011 .6628 .2840 .61 .040 |
|
U1 .23574 .74017 .38168 .01470 .0240 .0097 .0104 -.0011 .0006 .0000 |
|
U2 .27735 .76422 .60929 .01475 .0239 .0086 .0117 .0005 -.0023 -.0017 |
|
U3 .25531 .51527 .24250 .01534 .0282 .0087 .0092 -.0003 -.0008 -.0006 |
|
U4 .25387 .51696 .51512 .01435 .0250 .0083 .0097 .0004 .0005 .0010 |
|
O1 .1684 .7423 .6263 .030 .045 .001 .043 .010 .005 -.001 |
|
O2 .1449 .4774 .2305 .032 .040 .046 .009 .005 .007 -.012 |
|
O3 .1203 .7522 .4109 .029 .023 .029 .034 .013 -.013 .003 |
|
O4 .3960 .7779 .6012 .029 .033 .032 .021 .004 -.011 -.003 |
|
O5 .3693 .5483 .2620 .024 .017 .027 .027 .000 -.012 -.017 |
|
O6 .1368 .5341 .5368 .021 .012 .026 .026 .003 -.010 .009 |
|
O7 .3473 .7327 .3479 .019 .006 .026 .024 -.001 -.003 -.009 |
|
O8 .3666 .4960 .4876 .028 .037 .024 .022 .001 -.003 .007 |
|
O9 .2417 .9217 .6212 .0124 |
|
OH10 .2137 .3604 .4705 .013 |
|
O11 .2730 .6734 .4989 .018 |
|
OH12 .2141 .5627 .3763 .016 |
|
OH13 .3057 .6004 .6460 .013 |
|
OH14 .1921 .6845 .2491 .017 |
|
OH15 .2108 .8792 .3133 .015 |
|
Wat16A 0 .738 .25 .33 .040 |
|
Wat16B 0 .683 .25 .60 .040 |
|
Wat17 .4953 .4039 .1489 .98 .040 |
|
Wat18 -.0163 .6641 .5496 .040 |
|
Wat19 .0233 .5480 .3758 .98 .040 |
|
Wat20 .5061 .6206 .4020 .70 .040 |
|
Wat22 .5 .8198 .25 .84 .040 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Metaschoepite |
|
Klingensmith A L, Deely K M, Kinman W S, Kelly V, Burns P C |
| |
American Mineralogist 92 (2007) 662-669 |
|
Neptunium incorporation in sodium-substituted metaschoepite |
|
Locality: synthetic |
|
Sample: Na-Ms-AB1 |
|
_database_code_amcsd 0004318 |
|
14.6317 14.0147 16.6977 90 90 90 Pbcn |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Na21 .5064 .6764 .2832 .58 .040 |
|
U1 .23479 .74265 .37739 .01824 .0275 .0125 .0147 .0005 .0000 -.0019 |
|
U2 .28370 .76835 .60448 .01861 .0327 .0126 .0105 .0020 -.0017 -.0018 |
|
U3 .25685 .51221 .24135 .01698 .0310 .0123 .0077 .0008 -.0012 .0001 |
|
U4 .25692 .51835 .51248 .02172 .0353 .0144 .0155 -.0006 .0005 .0009 |
|
O1 .1700 .7462 .6131 .042 .061 .021 .044 .006 -.026 -.010 |
|
O2 .1506 .4654 .2326 .037 .078 .014 .019 .016 -.016 -.009 |
|
O3 .1206 .7424 .4156 .024 .026 .022 .025 -.002 .014 .013 |
|
O4 .4025 .7837 .5983 .021 .043 .009 .010 .003 .001 .003 |
|
O5 .3715 .5586 .2508 .027 .017 .028 .034 -.013 .009 -.002 |
|
O6 .1415 .5477 .5317 .035 .034 .028 .044 .002 -.029 .018 |
|
O7 .3449 .7419 .3368 .024 .025 .025 .023 .000 -.010 -.013 |
|
O8 .3670 .4875 .4898 .049 .102 .030 .013 .000 .004 .002 |
|
O9 .2491 .9237 .6195 .033 .069 .024 .006 -.001 .002 .005 |
|
OH10 .2085 .3638 .4705 .023 .034 .011 .023 .001 .000 -.005 |
|
OH11 .2903 .6729 .4909 .042 .092 .016 .018 -.005 -.005 .004 |
|
OH12 .2147 .5635 .3747 .021 .043 .009 .011 -.001 -.001 .001 |
|
OH13 .3121 .6030 .6412 .020 .039 .008 .012 -.003 .000 .001 |
|
OH14 .1893 .6840 .2449 .018 .017 .018 .019 -.004 -.002 .006 |
|
OH15 .1907 .8840 .3156 .022 |
|
Wat16A 0 .755 .25 .26 .040 |
|
Wat16B 0 .662 .25 .74 .040 |
|
Wat17 .5008 .4049 .1450 .75 .040 |
|
Wat18 -.0183 .6485 .5637 .87 .040 |
|
Wat19 .0264 .5449 .3768 .89 .040 |
|
Wat20 .4983 .6369 .4152 .61 .040 |
|
Wat22 .5 .817 .25 .66 .040 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Metaschoepite |
|
Klingensmith A L, Deely K M, Kinman W S, Kelly V, Burns P C |
| |
American Mineralogist 92 (2007) 662-669 |
|
Neptunium incorporation in sodium-substituted metaschoepite |
|
Locality: synthetic |
|
Sample: Na-Ms-AB2 |
|
_database_code_amcsd 0004319 |
|
14.6592 14.0358 16.7148 90 90 90 Pbcn |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Na21 .510 .684 .276 .235 .040 |
|
U1 .23414 .74380 .374763 .01425 .0197 .01137 .01163 -.00003 -.00099 -.00143 |
|
U2 .28636 .76851 .60317 .01568 .0250 .01074 .01126 .00214 -.00102 -.00153 |
|
U3 .25637 .51220 .239215 .01576 .0276 .01094 .00872 .00096 -.00104 .00007 |
|
U4 .25652 .51717 .51109 .01603 .0249 .01192 .01126 -.00124 .00134 .00111 |
|
O1 .1683 .7458 .6126 .032 .031 .015 .049 -.001 -.011 -.002 |
|
O2 .1452 .4616 .2319 .0290 .035 .031 .021 .003 -.004 -.004 |
|
O3 .1225 .7450 .4163 .0202 .017 .021 .022 .000 .005 .005 |
|
O4 .4057 .7845 .5964 .0194 .020 .015 .023 -.004 .000 .003 |
|
O5 .3699 .5601 .2511 .0228 .031 .013 .025 -.003 -.004 .000 |
|
O6 .1407 .5489 .5293 .0266 .027 .027 .026 .000 .003 -.006 |
|
O7 .3449 .7463 .3310 .0261 .020 .031 .027 .001 .002 -.012 |
|
O8 .3721 .4840 .4895 .0293 .022 .041 .026 .005 -.002 .003 |
|
O9 .2524 .9225 .6175 .029 .063 .010 .013 .005 .003 -.001 |
|
OH10 .2053 .3617 .4685 .0187 .037 .007 .012 .003 .007 .002 |
|
OH11 .2966 .6736 .4881 .040 .091 .016 .012 -.008 -.026 .003 |
|
OH12 .2123 .5634 .3726 .0179 .035 .012 .007 .008 .002 .002 |
|
OH13 .3123 .6005 .6387 .0168 .030 .009 .011 -.004 -.001 .001 |
|
OH14 .1869 .6830 .2435 .0169 .022 .016 .012 -.007 -.001 -.001 |
|
OH15 .1880 .8848 .3135 .0180 |
|
Wat16A 0 .751 .25 .380 .040 |
|
Wat16B 0 .6543 .25 .48 .040 |
|
Wat17 .5004 .4164 .1427 .681 .040 |
|
Wat18 -.0234 .6449 .5705 .801 .040 |
|
Wat19 .0294 .5496 .3701 .777 .040 |
|
Wat20 .4959 .6404 .4199 .597 .040 |
|
Wat22 .5 .8089 .25 .51 .040 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Cobaltite |
|
Fleet M E, Burns P C |
|
The Canadian Mineralogist 28 (1990) 719-723 |
|
Structure and twinning of cobaltite |
|
_database_code_amcsd 0005243 |
|
5.5833 5.5892 5.5812 90 90 90 Pca2_1 |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Co .99504 .25909 0 .298 .167 .251 -.003 .008 .014 |
|
As .61885 .86935 .616687 .426 .288 .346 -.019 -.002 -.026 |
|
S .38266 .63129 .37996 .359 .242 .346 .027 -.039 .060 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Stillwellite-(Ce) |
|
Burns P C, Hawthorne F C, MacDonald D J, Ventura G D, Parodi G |
|
The Canadian Mineralogist 31 (1993) 147-152 |
|
The crystal structure of stillwellite |
|
_database_code_amcsd 0005293 |
|
6.841 6.841 6.702 90 90 120 P3_1 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ce .41184 -.00016 0 .49 .0042 .0050 .0040 .0033 .0020 -.0002 -.0002 |
|
La .41184 -.00016 0 .35 .0042 .0050 .0040 .0033 .0020 -.0002 -.0002 |
|
Nd .41184 -.00016 0 .07 .0042 .0050 .0040 .0033 .0020 -.0002 -.0002 |
|
Th .41184 -.00016 0 .05 .0042 .0050 .0040 .0033 .0020 -.0002 -.0002 |
|
Pr .41184 -.00016 0 .03 .0042 .0050 .0040 .0033 .0020 -.0002 -.0002 |
|
Ca .41184 -.00016 0 .01 .0042 .0050 .0040 .0033 .0020 -.0002 -.0002 |
|
Sm .41184 -.00016 0 .01 .0042 .0050 .0040 .0033 .0020 -.0002 -.0002 |
|
Si .4167 .0001 -.5008 .0026 .0031 .0040 .0009 .0020 .0000 -.0004 |
|
B -.1104 .0005 .0060 .0163 .0041 .0174 .0333 .0097 .0132 .0209 |
|
O1 .1416 -.3961 -.0042 .0085 .0114 .0072 .0051 .0033 -.0011 -.0017 |
|
O2 .5340 .3949 .0038 .0086 .0149 .0058 .0051 .0050 -.0003 -.0023 |
|
O3a -.0037 .0562 -.7825 .0062 .0084 .0063 .0028 .0028 .0017 .0019 |
|
O3b .0543 -.0012 .1194 .0062 .0084 .0063 .0028 .0028 .0017 .0019 |
|
O4 .6571 -.1945 .0214 .0057 .0060 .0049 .0056 .0022 -.0013 .0018 |
|
O5 .8493 .1963 -.0242 .0062 .0075 .0029 .0078 .0024 .0036 .0039 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Colemanite |
|
Burns P C, Hawthorne F C |
|
The Canadian Mineralogist 31 (1993) 297-304 |
|
Hydrogen bonding in colemanite: An X-ray and structure-energy study |
|
_database_code_amcsd 0005295 |
|
8.712 11.247 6.091 90 110.12 90 P2_1/a |
|
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 .6348 .21106 .73664 .94 .0102 .0094 .0118 .0073 .0007 .0002 .0003 |
|
B1 .3343 .2126 .3136 .0075 .0065 .0087 .0069 -.0001 .0019 .0003 |
|
B2 .0397 .1709 .1622 .0066 .0059 .0069 .0065 .0002 .0014 -.0004 |
|
B3 .2207 .0523 .4962 .0069 .0069 .0080 .0058 -.0005 .0023 -.0001 |
|
O1 -.0182 .24675 .3156 .0091 .0063 .0114 .0088 .0018 .0017 -.0031 |
|
O2 .1886 .2314 .1390 .0081 .0049 .0112 .0074 -.0009 .0011 .0026 |
|
Oh3 -.0798 .1639 -.0724 .0102 .0083 .0115 .0072 .0018 -.0020 -.0020 |
|
O4 .3422 .1480 .5098 .0107 .0088 .0142 .0069 -.0044 -.0003 .0036 |
|
O5 .0872 .05558 .271 .0076 .0074 .0063 .0072 -.0004 .0000 -.0001 |
|
Oh6 .2945 -.066 .5144 .0130 .0172 .0100 .0103 .0057 .0026 .0012 |
|
Oh7 .1668 .077 .6972 .0108 .0120 .0128 .0090 -.0018 .0054 -.0012 |
|
OW8 .6137 .0187 .9008 .0178 .0190 .0166 .0173 -.0003 .0056 .0028 |
|
H1 -.075 .085 -.130 .0200 |
|
H2 .334 -.101 .669 .0200 |
|
H3 .08 .025 .699 .0200 |
|
H4 .701 -.025 .010 .0200 |
|
H5 .516 -.013 .919 .0200 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Meyerhofferite |
|
Burns P C, Hawthorne F C |
|
The Canadian Mineralogist 31 (1993) 305-312 |
|
Hydrogen bonding in meyerhofferite: An X-ray and structure energy study |
|
from Mount Blanco, Death Valley, California |
|
Locality: Mount Blanco, Death Valley, California, USA |
|
_database_code_amcsd 0005296 |
|
6.632 8.337 6.4748 90.81 101.97 86.76 P-1 |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca .01073 .37602 .2444 .0106 .0118 .0113 .0091 -.0013 .0027 .0003 |
|
B1 .3168 .7974 .4855 .0112 .0114 .0121 .0100 -.0024 .0016 -.0011 |
|
B2 .2879 .6323 .1654 .0096 .0081 .0119 .0096 -.0003 .0035 -.0002 |
|
B3 .0393 .2652 .6992 .0094 .0084 .0109 .0093 -.0003 .0030 -.0002 |
|
O1 .4042 .7358 .3274 .0137 .0095 .0183 .0135 -.0028 .0030 -.0049 |
|
Oh2 .4224 .8874 .6483 .0155 .0117 .0191 .0159 -.0051 .0025 -.0050 |
|
O3 .1150 .7776 .4925 .0125 .0097 .0186 .0098 -.0043 .0029 -.0030 |
|
Oh4 .3363 .4617 .2059 .0149 .0126 .0124 .0214 .0028 .0082 .0021 |
|
O5 .0617 .6519 .1481 .0099 .0073 .0129 .0096 .0003 .0025 -.0020 |
|
Oh6 .1694 .3799 .6186 .0119 .0088 .0151 .0127 -.0028 .0037 .0008 |
|
OW7 .1521 .1071 .2112 .0161 .0174 .0153 .0157 -.0005 .0036 -.0005 |
|
Oh8 .1540 .1223 .7989 .0152 .0168 .0145 .0151 .0061 .0069 .0024 |
|
Oh9 .3315 .6711 .9564 .0129 .0124 .016 .0117 -.0015 .0053 .0005 |
|
H1 .563 .901 .642 .0200 |
|
H2 .453 .429 .148 .0200 |
|
H3 .313 .352 .642 .0200 |
|
H4 .253 .065 .733 .0200 |
|
H5 .373 .779 .951 .0200 |
|
H6 .052 .032 .227 .0200 |
|
H7 .164 .104 .066 .0200 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Dietzeite |
|
Burns P C, Hawthorne F C |
|
The Canadian Mineralogist 31 (1993) 313-319 |
|
The crystal structure of dietzeite, Ca2H20(IO3)2(CrO4), a heteropolyhedral |
|
framework mineral |
|
_database_code_amcsd 0005297 |
|
10.118 7.238 13.965 90 106.62 90 P2_1/c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
I1 .05005 .20302 .77376 .0095 .0100 .0084 .0103 -.0005 .0034 .0000 |
|
I2 .25614 .23921 .57448 .0103 .0100 .0103 .0113 .0012 .0040 .0020 |
|
Cr .43076 -.2029 .5785 .0113 .0098 .0128 .0114 .0002 .0032 .0027 |
|
Ca1 .6994 .0852 .70392 .0119 .0108 .0127 .0112 .0019 .0014 .0000 |
|
Ca2 .8994 .2563 .48855 .0117 .0141 .0104 .0106 -.0011 .0036 -.0015 |
|
O1 .1268 .4082 .8413 .0163 .0189 .0164 .0138 -.0091 .0052 -.0074 |
|
O2 -.0504 .3057 .6581 .0174 .0232 .0146 .0115 .0028 .0004 .0009 |
|
O3 .2744 .2999 .7033 .0170 .0233 .0134 .0132 -.0020 .0033 -.0032 |
|
O4 .4664 -.0091 .6456 .0179 .0161 .0178 .0166 -.0046 -.0004 -.0008 |
|
O5 .3524 -.3467 .6357 .0203 .0248 .0172 .0216 -.0064 .0113 .0022 |
|
O6 .1290 .0595 .5639 .0162 .0164 .0117 .0211 -.0059 .0066 -.0039 |
|
O7 .6813 .1538 .5301 .0183 .0177 .0239 .0117 .0009 .0014 .0001 |
|
O8 .8668 .5910 .4952 .0155 .0154 .0099 .0179 .0038 -.0005 .0036 |
|
O9 .9060 .1831 .8250 .0134 .0118 .0172 .0122 -.0042 .0049 -.0024 |
|
O10 .5718 -.2924 .5656 .0267 .0240 .0342 .0277 .0126 .0166 .0121 |
|
Wat .6109 .3866 .6837 .0318 .0585 .0207 .0192 .0193 .0159 .0073 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Akatoreite |
|
Burns P C, Hawthorne F C |
|
The Canadian Mineralogist 31 (1993) 321-329 |
|
Edge-sharing MnO4 tetrahedra in the structure of akatoreite, |
|
Mn9Al2Si8O24(OH)8 |
|
_database_code_amcsd 0005298 |
|
8.337 10.367 7.629 104.46 93.81 104.18 P-1 |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mn1 0 .5 .5 .0087 .0090 .0097 .0074 .0028 .0030 .0014 |
|
Mn2 .60854 .42848 .36083 .0085 .0080 .0097 .0071 .0022 .0013 .0012 |
|
Mn3 .83621 .29882 .08032 .0079 .0076 .0092 .0073 .0027 .0017 .0025 |
|
Mn4 .56978 .77338 .05242 .0077 .0083 .0078 .0071 .0020 .0020 .0020 |
|
Mn5 .83542 .94289 .37937 .0102 .0103 .0094 .0100 .0007 -.0008 .0039 |
|
Al .2210 .3686 .2332 .0054 .0060 .0057 .0050 .0021 .0019 .0018 |
|
Si1 .1155 .3580 -.1861 .0054 .0066 .0059 .0049 .0020 .0021 .0029 |
|
Si2 -.4317 .1019 -.7056 .0057 .0070 .0048 .0058 .0012 .0014 .0026 |
|
Si3 -.2559 .2987 -.3211 .0056 .0069 .0063 .0043 .0017 .0011 .0027 |
|
Si4 .1910 .0480 .1988 .0060 .0067 .0057 .0057 .0013 .0011 .0017 |
|
O1 .1671 .4991 -.2526 .0079 .0098 .0076 .0080 .0021 .0040 .0044 |
|
O2 .0953 .3845 .0294 .0081 .0096 .0093 .0061 .0019 .0022 .0036 |
|
O3 -.2330 .4429 -.3805 .0075 .0110 .0057 .0063 .0026 .0024 .0020 |
|
O4 -.3370 .3047 -.1358 .0092 .0093 .0124 .0063 .0025 .0029 .0032 |
|
O5 .2433 .2643 -.2440 .0093 .0110 .0105 .0085 .0060 .0032 .0030 |
|
O6 -.3956 .2212 -.8120 .0094 .0112 .0090 .0087 .0015 .0033 .0046 |
|
O7 -.3449 -.0198 -.7737 .0108 .0134 .0095 .0104 .0052 .0026 .0023 |
|
O8 -.3682 .1741 -.4894 .0118 .0166 .0105 .0055 -.0002 -.0006 .0018 |
|
O9 -.0716 .2701 -.3002 .0092 .0087 .0110 .0090 .0039 .0005 .0036 |
|
O10 .0750 .0573 .3611 .0092 .0091 .0119 .0075 .0022 .0022 .0045 |
|
O11 .3678 .0348 .2767 .0115 .0077 .0101 .0181 .0000 .0000 .0093 |
|
O12 .2138 .1800 .1161 .0078 .0113 .0056 .0065 .0028 .0003 .0013 |
|
Oh13 .0168 .3125 .3242 .0073 .0087 .0077 .0070 .0025 .0040 .0040 |
|
Oh14 .3626 .3680 .4465 .0080 .0094 .0074 .0088 .0033 .0022 .0037 |
|
Oh15 .1094 -.0957 .0348 .0110 .0128 .0087 .0094 .0024 -.0012 -.0001 |
|
Oh16 .4247 .4265 .1448 .0086 .0098 .0091 .0082 .0031 .0030 .0037 |
|
H1 .035 .235 .366 .0150 |
|
H2 .330 .291 .501 .0150 |
|
H3 -.012 -.120 .004 .0150 |
|
H4 .424 .513 .118 .0150 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Pringleite |
|
Grice J D, Burns P C, Hawthorne F C |
|
The Canadian Mineralogist 32 (1994) 1-14 |
|
Determination of the megastructures of the borate polymorphs pringleite and |
|
ruitenbergite |
|
Note: Cell angles modified by Grice, June 2002 |
|
_database_code_amcsd 0005341 |
|
12.746 13.019 9.693 102.24 102.10 85.61 P1 |
|
atom x y z Uiso |
|
Ca1 0 0 0 .10 |
|
Ca2 .6993 .3050 .8019 .11 |
|
Ca3 .7648 .8770 .3976 .11 |
|
Ca4 .1967 .8075 .7980 .10 |
|
Ca5 .5658 .0705 .1942 .09 |
|
Ca6 .0641 .5644 .1807 .11 |
|
Ca7 .2679 .3822 .3988 .12 |
|
Ca8 .5001 .4987 .9941 .11 |
|
Ca9 .5350 .8586 .7293 .18 |
|
B1 .0048 .7343 .4952 .10 |
|
B2 .9152 .8006 .1347 .09 |
|
B3 .2860 .0339 .0667 .09 |
|
B4 .5141 .7989 .1497 .07 |
|
B5 .7864 .5297 .0606 .08 |
|
B6 .3571 .5832 .6933 .10 |
|
B7 .2613 .6437 .0342 .08 |
|
B8 .8506 .0764 .6984 .11 |
|
B9 .5026 .2331 .4974 .14 |
|
B10 .7683 .1483 .0546 .09 |
|
B11 .0154 .2947 .1535 .15 |
|
B12 .4141 .2996 .1322 .11 |
|
B13 .4174 .9043 .9719 .11 |
|
B14 .9042 .2068 .9322 .11 |
|
B15 .0802 .7379 .0132 .06 |
|
B16 .3634 .1774 .2743 .11 |
|
B17 .8665 .6733 .2718 .12 |
|
B18 .6805 .1324 .5243 .14 |
|
B19 .8234 .9799 .1643 .11 |
|
B20 .3177 .4768 .1459 .11 |
|
B21 .9207 .3997 .9744 .09 |
|
B22 .4043 .7087 .9286 .09 |
|
B23 .5859 .2403 .0278 .17 |
|
B24 .4526 .4052 .6680 .14 |
|
B25 .1905 .6433 .5156 .10 |
|
B26 .9403 .8947 .6733 .07 |
|
O1 .9724 .6688 .3661 .11 |
|
O2 .9372 .8130 .5430 .11 |
|
O3 .1082 .7206 .5661 .14 |
|
O4 .9923 .7301 .0886 .13 |
|
O5 .8964 .8968 .0993 .12 |
|
O6 .8519 .7717 .2174 .13 |
|
O7 .3668 .0842 .1601 .14 |
|
O8 .4959 .2323 .0971 .13 |
|
O9 .3066 .9416 .9764 .14 |
|
O10 .4887 .7066 .0574 .13 |
|
O11 .3512 .2744 .2190 .11 |
|
O12 .4809 .8948 .1174 .10 |
|
O13 .8061 .4405 .9710 .11 |
|
O14 .8683 .5824 .1562 .11 |
|
O15 .4121 .8049 .8712 .08 |
|
O16 .2749 .6496 .6442 .13 |
|
O17 .3803 .4882 .6107 .10 |
|
O18 .4229 .6133 .8244 .09 |
|
O19 .2984 .7109 .9629 .10 |
|
O20 .3262 .5593 .0662 .13 |
|
O21 .1623 .6618 .0656 .10 |
|
O22 .9179 .1077 .8315 .11 |
|
O23 .8677 .9791 .6182 .11 |
|
O24 .7666 .1402 .6551 .13 |
|
O25 .5994 .2087 .5797 .10 |
|
O26 .4685 .1679 .3691 .11 |
|
O27 .4411 .3190 .5408 .14 |
|
O28 .8322 .0659 .0893 .11 |
|
O29 .7986 .2107 .9744 .12 |
|
O30 .6679 .1683 .0902 .13 |
|
O31 .9918 .2011 .0608 .10 |
|
O32 .9130 .2966 .8741 .09 |
|
O33 .9728 .3884 .1240 .14 |
|
O34 .3931 .3931 .0909 .10 |
|
Oh1 .1789 .0684 .0502 .23 |
|
Oh2 .5811 .7988 .2826 .18 |
|
OH3 .4738 .9804 .9255 .15 |
|
OH4 .6818 .5692 .0550 .19 |
|
OH5 .0884 .2956 .2800 .19 |
|
OH6 .0487 .7129 .8545 .15 |
|
Oh7 .1175 .8455 .0338 .12 |
|
OH8 .2751 .1812 .3496 .13 |
|
Oh9 .7747 .6794 .3414 .16 |
|
Oh10 .7143 .1635 .4023 .16 |
|
Oh11 .6439 .0258 .4606 .15 |
|
Oh12 .7128 .9458 .1463 .12 |
|
Oh13 .8641 .0082 .3189 .16 |
|
Oh14 .3584 .5126 .3018 .19 |
|
Oh15 .2079 .4428 .1318 .18 |
|
Oh16 .9837 .4758 .9405 .14 |
|
Oh17 .5631 .2010 .8721 .16 |
|
OH18 .6200 .3492 .0507 .16 |
|
Oh19 .4171 .3774 .7902 .15 |
|
Oh20 .5613 .4350 .7344 .13 |
|
Oh21 .1492 .5356 .4515 .14 |
|
Oh22 .2247 .6680 .3911 .30 |
|
OH23 .8919 .8640 .7823 .15 |
|
Oh24 .0481 .9317 .7473 .16 |
|
Cl1 .2625 .8958 .3347 .36 |
|
Cl2 .6698 .5720 .5622 .33 |
|
Cl3 .9830 .4870 .6205 .38 |
|
Cl4 .3180 .1373 .7214 .45 |
|
OW1 .6974 .8161 .6108 .20 |
|
OW2 .1951 .3378 .5948 .34 |
|
OW3 .0640 .0569 .2731 .30 |
|
OW4 .2580 .9088 .6525 .47 |
|
OW5 .7743 .3614 .6187 .27 |
|
OW6 .6508 .7708 .9021 .26 |
|
OW7 .4626 .7240 .5410 .34 |
|
OW8 .6507 .0049 .7977 .31 |
|
OW9 .4667 .9714 .5591 .30 |
|
OW10 .5476 .5654 .2570 .24 |
|
OW11 .8207 .6516 .8498 .32 |
|
OW12 .7978 .4026 .2941 .54 |
|
OW13 .1485 .2867 .8894 .63 |
|
H1 .1756 .0984 .9947 .30 |
|
H2 -.4104 .7422 .3025 .30 |
|
H7 .1238 .8616 .1142 .30 |
|
H9 -.2226 .6534 .4010 .30 |
|
H10 -.2526 .2086 .4257 .30 |
|
H11 -.3991 .9996 .5130 .30 |
|
H12 .6946 .9133 .0691 .30 |
|
H13 -.1561 .0720 .3616 .30 |
|
H14 .3413 .5801 .3502 .30 |
|
H15 .1852 .3944 .0531 .30 |
|
H16 -.0159 .4716 .8509 .30 |
|
H17 -.4986 .2285 .8229 .30 |
|
H19 .3608 .3638 .7703 .30 |
|
H20 -.4198 .4831 .6951 .30 |
|
H21 .1261 .5147 .5121 .30 |
|
H22 .2721 .6970 .4234 .30 |
|
H24 .0740 .9660 .7111 .30 |
|
HW1 .6928 .7351 .5906 .30 |
|
HW1* -.2591 .8167 .6590 .30 |
|
HW2 .1576 .3375 .6514 .30 |
|
HW3 .0255 .0590 .2779 .30 |
|
HW5 -.1699 .3874 .6123 .30 |
|
HW5* -.2461 .4080 .5482 .30 |
|
HW7 .4957 .6571 .5355 .30 |
|
HW9 .4330 .9688 .5004 .30 |
|
HW10 .5923 .5645 .3039 .30 |
|
HW13 -.0277 .0459 .3289 .30 |
|
HW13* .0938 .2854 .8609 .30 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ruitenbergite |
|
Grice J D, Burns P C, Hawthorne F C |
|
The Canadian Mineralogist 32 (1994) 1-14 |
|
Determination of the megastructures of the borate polymorphs pringleite and |
|
ruitenbergite |
|
_database_code_amcsd 0005342 |
|
19.857 9.708 17.522 90 114.68 90 P2_1 |
|
atom x y z Uiso |
|
Ca1 .0907 .3479 .0173 .12 |
|
Ca2 .0918 .5478 .3208 .15 |
|
Ca3 .4139 .5599 .2336 .18 |
|
Ca4 .4083 .7729 .4281 .11 |
|
Ca1s .0891 .3394 .5129 .14 |
|
Ca2s .0962 .5451 .8271 .13 |
|
Ca3s .4125 .5695 .7345 .14 |
|
Ca4s .4064 .7617 .9296 .16 |
|
Ca5s .2142 .9425 .9715 .19 |
|
B1 .5425 .0055 .4378 .12 |
|
B2 .0567 .6242 .1122 .10 |
|
B3 .2518 .5985 .2760 .15 |
|
B4 .5499 .3440 .3603 .10 |
|
B5 .0397 .2741 .1856 .10 |
|
B6 .2598 .4968 .0234 .10 |
|
B7 -.0087 .7641 .1877 .10 |
|
B8 .1406 .4438 .1987 .10 |
|
B9 .3518 .6794 .0508 .10 |
|
B10 .5035 .5020 .4588 .11 |
|
B11 .5209 .3652 .2143 .15 |
|
B12 .2515 .6832 .4101 0 |
|
B13 -.0115 .1358 .0389 .24 |
|
B1s .5360 .9902 .9248 .10 |
|
B2s .0519 .6352 .6135 .11 |
|
B3s .2499 .5817 .7801 .10 |
|
B4s .5629 .3627 .8624 .10 |
|
B5s .0465 .2526 .6812 .09 |
|
B6s .2538 .4902 .5072 .17 |
|
B7s .0020 .7672 .7050 .10 |
|
B8s .1398 .4431 .6858 .11 |
|
B9s .3561 .6523 .5579 .05 |
|
B10s .5029 .5047 .9464 .10 |
|
B11s .5010 .3459 .6986 .10 |
|
B12s .2506 .6678 .9136 .12 |
|
B13s -.0098 .1156 .5502 .10 |
|
O1 .3198 .5673 .0787 .29 |
|
O2 .5053 .9375 .4751 .00 |
|
O3 .1061 .5200 .1185 .00 |
|
O4 .0064 .7282 .2731 .07 |
|
O5 .5225 .4252 .2928 .41 |
|
O6 .3096 .7394 .4868 .26 |
|
O7 .1869 .5368 .2677 .27 |
|
O8 .4057 .6058 .0304 .00 |
|
O9 .0897 .3699 .2270 .00 |
|
O10 .3979 .7344 .1335 .00 |
|
O11 .4528 .8910 .0664 .00 |
|
O12 .2226 .5559 .4296 .80 |
|
O13 .0473 .2337 .1149 .03 |
|
O14 .0396 .6599 .1775 .30 |
|
O15 .0143 .6842 .0361 .00 |
|
O16 .4723 .4408 .1373 .15 |
|
O17 .2883 .6625 .3532 .00 |
|
OH1 .1837 .3587 .1666 .96 |
|
OH2 .0689 .2797 .3751 .07 |
|
OH3 -.0409 .4945 .4248 .64 |
|
OH4 .4391 .5269 .3804 .16 |
|
OH5 .0808 .5795 .4518 .00 |
|
OH6 .4128 .8277 .2984 .00 |
|
OH7 .1831 .7627 .3754 .71 |
|
OH8 .5353 .6380 .4587 .00 |
|
OH9 .2835 .5674 .2197 .00 |
|
OH10 .5316 .7078 .3071 .06 |
|
OH11 .2270 .3774 .0344 .80 |
|
OH12 -.0231 .4065 .2975 .73 |
|
O1s .3117 .5435 .5748 .00 |
|
O2s .4931 .9518 .9644 .22 |
|
O3s .0865 .5191 .6117 .13 |
|
O4s -.0155 .6988 .7704 .00 |
|
O5s .5214 .4070 .7818 .00 |
|
O6s .2981 .7519 .9857 .00 |
|
O7s .1828 .5251 .7582 .00 |
|
O8s .5859 .1058 .4820 .35 |
|
O9s .1001 .3506 .7179 .47 |
|
O10s .3898 .7569 .6245 .24 |
|
O11s .4354 .9077 .5620 .67 |
|
O12s .2337 .5351 .9393 .00 |
|
O13s .0290 .2198 .5993 .00 |
|
O14s .0495 .6743 .6845 .00 |
|
O15s .0069 .6754 .5362 .51 |
|
O16s .4687 .4717 .6515 .00 |
|
O17s .2862 .6267 .8586 .85 |
|
OH1s .1860 .3446 .6658 .00 |
|
OH2s .0831 .3026 .8701 .04 |
|
OH3s -.0206 .4827 .9504 .00 |
|
OH4s .4260 .5137 .8787 .00 |
|
OH5s .0823 .6231 .9520 .10 |
|
OH6s .4009 .8383 .7884 .57 |
|
OH7s .1815 .7462 .8707 .00 |
|
OH8s .5446 .6331 .9715 1.00 |
|
OH9s .2928 .5955 .7370 .03 |
|
OH10s .5170 .7317 .8073 .00 |
|
OH11s .2213 .3867 .5313 .00 |
|
OH12s -.0292 .4168 .7818 .00 |
|
Cl1 .1740 .0636 .3573 .50 |
|
Cl2 .1898 .9585 .2107 .42 |
|
Cl3s .3327 .2716 .8780 .32 |
|
Cl4s .2893 .0715 .7218 .34 |
|
Wat2 .3496 .3358 .1929 .21 |
|
Wat3 .1432 .1029 .0326 .02 |
|
Wat5 .3341 .9819 .4044 .45 |
|
Wat7 .2038 .7854 .0724 .09 |
|
Wat10 .3032 .3108 .3685 .53 |
|
Wat1s .1855 .1212 .8709 .33 |
|
Wat2s .3651 .3105 .7235 .51 |
|
Wat3s .1670 .1211 .5487 .22 |
|
Wat5s .3329 .9692 -.1264 .38 |
|
Wat6s .3144 .0706 .5607 .12 |
|
Wat7s .1853 .7788 .5462 .41 |
|
Wat8s .0809 .9397 .9001 .25 |
|
Wat9s .1684 .8515 .7069 .30 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluoro-edenite |
| |
Boschmann K F, Burns P C, Hawthorne F C, Raudsepp M, Turnock A C |
|
The Canadian Mineralogist 32 (1994) 21-30 |
|
A-site disorder in synthetic fluor-edenite, a crystal-structure study |
|
_database_code_amcsd 0005344 |
|
9.821 17.934 5.282 90 105.08 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) |
|
SiT1 .28176 .08479 .3025 .81 .0078 .0084 .0080 -.0003 .0014 -.0002 |
|
SiT2 .29057 .17251 .8113 .0066 .0079 .0067 -.0003 .0014 .0002 |
|
Mg1 0 .08902 .5 .0075 .0069 .0056 0 .0020 0 |
|
AlM2 0 .17547 0 .18 .0061 .0070 .0062 0 .0019 0 |
|
MgM2 0 .17547 0 .82 .0061 .0070 .0062 0 .0019 0 |
|
Mg3 0 0 0 .0068 .0057 .0068 0 .0007 0 |
|
Ca4 0 .27854 .5 .0134 .0110 .0120 0 .0067 0 |
|
NaAm .0415 .5 .0953 .24 .02 |
|
NaA2 0 .4765 0 .25 .02 |
|
O1 .1084 .0860 .2182 .0081 .0122 .0089 -.0013 .0024 -.0013 |
|
O2 .1191 .1714 .7312 .0083 .0090 .0091 .0002 .0012 .0007 |
|
F3 .1044 0 .7133 .0106 .0110 .0111 0 .0040 0 |
|
O4 .3656 .2504 .7884 .0140 .0094 .0119 -.0026 .0046 -.0003 |
|
O5 .3511 .1391 .1108 .0111 .0157 .0107 -.0007 .0013 .0043 |
|
O6 .3462 .1164 .6075 .0102 .0158 .0136 .0013 .0028 -.0052 |
|
O7 .3448 0 .2784 .0117 .0107 .0174 0 .0056 0 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluor-elbaite |
| |
Burns P C, MacDonald D J, Hawthorne F C |
|
The Canadian Mineralogist 32 (1994) 31-41 |
|
The crystal chemistry of manganese-bearing elbaite |
|
Sample: NP1 |
|
Locality: Nepal |
|
_database_code_amcsd 0005345 |
|
15.932 15.932 7.135 90 90 120 R3m |
|
atom x y z occ Uiso |
|
NaX 0 0 .8408 .67 .0191 |
|
CaX 0 0 .8408 .20 .0191 |
|
KX 0 0 .8408 .01 .0191 |
|
AlY .06188 .93812 .4431 .36 .0123 |
|
LiY .06188 .93812 .4431 .35 .0123 |
|
MnY .06188 .93812 .4431 .27 .0123 |
|
TiY .06188 .93812 .4431 .01 .0123 |
|
FeY .06188 .93812 .4431 .01 .0123 |
|
AlZ .26101 .29778 .4591 .0067 |
|
SiT .19011 .19206 .0707 .97 .0056 |
|
AlT .19011 .19206 .0707 .03 .0056 |
|
B .8904 .1096 .6175 .0070 |
|
F1 0 0 .2879 .66 .0452 |
|
OH1 0 0 .2879 .34 .0452 |
|
O2 .93909 .06091 .5909 .0216 |
|
OH3 .13447 .86553 .5616 .0110 |
|
O4 .90704 .09296 -.0009 .0092 |
|
O5 .09309 .90691 -.0235 .0104 |
|
O6 .1873 .19731 .2954 .0088 |
|
O7 .28611 .28591 -.0101 .0073 |
|
O8 .2706 .2096 .6293 .0088 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluor-elbaite |
| |
Burns P C, MacDonald D J, Hawthorne F C |
|
The Canadian Mineralogist 32 (1994) 31-41 |
|
The crystal chemistry of manganese-bearing elbaite |
|
Sample: NP1, split atom model |
|
Locality: Nepal |
|
_database_code_amcsd 0005346 |
|
15.932 15.932 7.135 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .8408 .20 .0191 |
|
NaX 0 0 .8408 .67 .0191 |
|
KX 0 0 .8408 .01 .0191 |
|
TiY .06188 .93812 .4431 .01 .0123 |
|
AlY .06188 .93812 .4431 .36 .0123 |
|
FeY .06188 .93812 .4431 .01 .0123 |
|
MnY .06188 .93812 .4431 .27 .0123 |
|
LiY .06188 .93812 .4431 .35 .0123 |
|
AlZ .26101 .29778 .4591 .0067 |
|
Si .19011 .19206 .0707 .97 .0056 |
|
Al .19011 .19206 .0707 .03 .0056 |
|
B .8904 .1096 .6175 .0070 |
|
F1 .0119 0 .2879 .11 .0452 |
|
OH1 .0119 0 .2879 .05 .0452 |
|
O2 .9287 .0507 .5909 .5 .0216 |
|
OH3 .13447 .86553 .5616 .0110 |
|
O4 .90704 .09296 -.0009 .0092 |
|
O5 .09309 .90691 -.0235 .0104 |
|
O6 .1873 .19731 .2954 .0088 |
|
O7 .28611 .28591 -.0101 .0073 |
|
O8 .2706 .2096 .6293 .0088 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluor-elbaite |
| |
Burns P C, MacDonald D J, Hawthorne F C |
|
The Canadian Mineralogist 32 (1994) 31-41 |
|
The crystal chemistry of manganese-bearing elbaite |
|
Sample: NP2 |
|
Locality: Nepal |
|
_database_code_amcsd 0005347 |
|
15.928 15.928 7.137 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .8408 .16 .0199 |
|
NaX 0 0 .8408 .73 .0199 |
|
KX 0 0 .8408 .01 .0199 |
|
TiY .06199 .93801 .4454 .01 .0119 |
|
AlY .06199 .93801 .4454 .34 .0119 |
|
FeY .06199 .93801 .4454 .05 .0119 |
|
MnY .06199 .93801 .4454 .25 .0119 |
|
LiY .06199 .93801 .4454 .35 .0119 |
|
AlZ .26108 .29784 .4605 .0065 |
|
Si .19010 .19198 .0724 .98 .0053 |
|
Al .19010 .19198 .0724 .02 .0053 |
|
B .8903 .1097 .6183 .0073 |
|
F1 0 0 .2888 .64 .0450 |
|
OH1 0 0 .2888 .36 .0450 |
|
O2 .93898 .06102 .5918 .0206 |
|
OH3 .13469 .86531 .5628 .0104 |
|
O4 .90700 .09300 .0009 .0084 |
|
O5 .09313 .90687 -.0213 .0095 |
|
O6 .1874 .1975 .2968 .0082 |
|
O7 .28593 .2858 -.0086 .0067 |
|
O8 .2706 .2098 .6308 .0085 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluor-elbaite |
| |
Burns P C, MacDonald D J, Hawthorne F C |
|
The Canadian Mineralogist 32 (1994) 31-41 |
|
The crystal chemistry of manganese-bearing elbaite |
|
Sample: NP2, split atom model |
|
Locality: Nepal |
|
_database_code_amcsd 0005348 |
|
15.928 15.928 7.137 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .8408 .16 .0199 |
|
NaX 0 0 .8408 .73 .0199 |
|
KX 0 0 .8408 .01 .0199 |
|
TiY .06199 .93801 .4454 .01 .0119 |
|
AlY .06199 .93801 .4454 .34 .0119 |
|
FeY .06199 .93801 .4454 .05 .0119 |
|
MnY .06199 .93801 .4454 .25 .0119 |
|
LiY .06199 .93801 .4454 .35 .0119 |
|
AlZ .26108 .29784 .4605 .0065 |
|
Si .19010 .19198 .0724 .98 .0053 |
|
Al .19010 .19198 .0724 .02 .0053 |
|
B .8903 .1097 .6183 .0073 |
|
F1 .0111 0 .2888 .11 .0450 |
|
OH1 .0111 0 .2888 .06 .0450 |
|
O2 .9490 .0712 .5918 .5 .0206 |
|
OH3 .13469 .86531 .5628 .0104 |
|
O4 .90700 .09300 .0009 .0084 |
|
O5 .09313 .90687 -.0213 .0095 |
|
O6 .1874 .1975 .2968 .0082 |
|
O7 .28593 .2858 -.0086 .0067 |
|
O8 .2706 .2098 .6308 .0085 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluor-elbaite |
| |
Burns P C, MacDonald D J, Hawthorne F C |
|
The Canadian Mineralogist 32 (1994) 31-41 |
|
The crystal chemistry of manganese-bearing elbaite |
|
Locality: Zambia |
|
Sample: NP3 |
|
_database_code_amcsd 0005349 |
|
15.938 15.938 7.133 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .8498 .15 .0192 |
|
NaX 0 0 .8498 .69 .0192 |
|
KX 0 0 .8498 .01 .0192 |
|
TiY .06191 .93809 .4506 .04 .0124 |
|
AlY .06191 .93809 .4506 .28 .0124 |
|
FeY .06191 .93809 .4506 .22 .0124 |
|
MnY .06191 .93809 .4506 .16 .0124 |
|
LiY .06191 .93809 .4506 .30 .0124 |
|
AlZ .26108 .29791 .4674 .0068 |
|
Si .19012 .19201 .0788 .98 .0059 |
|
Al .19012 .19201 .0788 .02 .0059 |
|
B .8900 .1100 .6252 .0077 |
|
F1 0 0 .2929 .56 .0438 |
|
OH1 0 0 .2929 .44 .0438 |
|
O2 .9387 .0613 .5977 .0192 |
|
OH3 .1347 .8653 .5693 .0111 |
|
O4 .9068 .0932 .0080 .0095 |
|
O5 .0932 .9068 -.0141 .0095 |
|
O6 .1877 .1976 .3037 .0089 |
|
O7 .2861 .2859 -.0016 .0081 |
|
O8 .2705 .2098 .6378 .0092 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluor-elbaite |
| |
Burns P C, MacDonald D J, Hawthorne F C |
|
The Canadian Mineralogist 32 (1994) 31-41 |
|
The crystal chemistry of manganese-bearing elbaite |
|
Sample: NP3, split atom model |
|
Locality: Zambia |
|
_database_code_amcsd 0005350 |
|
15.938 15.938 7.133 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .8498 .15 .0192 |
|
NaX 0 0 .8498 .69 .0192 |
|
KX 0 0 .8498 .01 .0192 |
|
TiY .06191 .93809 .4506 .04 .0124 |
|
AlY .06191 .93809 .4506 .28 .0124 |
|
FeY .06191 .93809 .4506 .22 .0124 |
|
MnY .06191 .93809 .4506 .16 .0124 |
|
LiY .06191 .93809 .4506 .30 .0124 |
|
AlZ .26108 .29791 .4674 .0068 |
|
Si .19012 .19201 .0788 .98 .0059 |
|
Al .19012 .19201 .0788 .02 .0059 |
|
B .8900 .1100 .6252 .0077 |
|
F1 .0107 0 .2929 .09 .0438 |
|
OH1 .0107 0 .2929 .07 .0438 |
|
O2 .9481 .0707 .5977 .5 .0192 |
|
OH3 .1347 .8653 .5693 .0111 |
|
O4 .9068 .0932 .0080 .0095 |
|
O5 .0932 .9068 -.0141 .0095 |
|
O6 .1877 .1976 .3037 .0089 |
|
O7 .2861 .2859 -.0016 .0081 |
|
O8 .2705 .2098 .6378 .0092 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluor-elbaite |
| |
Burns P C, MacDonald D J, Hawthorne F C |
|
The Canadian Mineralogist 32 (1994) 31-41 |
|
The crystal chemistry of manganese-bearing elbaite |
|
Sample: T10 |
|
Locality: Zambia |
|
_database_code_amcsd 0005351 |
|
15.872 15.872 7.138 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .8408 .06 .0238 |
|
NaX 0 0 .8408 .77 .0238 |
|
KX 0 0 .8408 .01 .0238 |
|
TiY .06188 .93812 .4477 .01 .0126 |
|
AlY .06188 .93812 .4477 .37 .0126 |
|
MnY .06188 .93812 .4477 .27 .0126 |
|
LiY .06188 .93812 .4477 .35 .0126 |
|
AlZ .26101 .29776 .4621 .0064 |
|
Si .19001 .19194 .0741 .0055 |
|
B .8904 .1096 .6194 .0079 |
|
F1 0 0 .2898 .65 .0462 |
|
OH1 0 0 .2898 .35 .0462 |
|
O2 .9390 .0610 .5933 .0204 |
|
OH3 .1345 .8655 .5646 .0109 |
|
O4 .90672 .09328 .0027 .0087 |
|
O5 .09340 .90660 -.0197 .0087 |
|
O6 .1872 .1973 .2982 .0086 |
|
O7 .2859 .2857 -.0069 .0071 |
|
O8 .2708 .2100 .6320 .0088 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Fluor-elbaite |
| |
Burns P C, MacDonald D J, Hawthorne F C |
|
The Canadian Mineralogist 32 (1994) 31-41 |
|
The crystal chemistry of manganese-bearing elbaite |
|
Sample: T10, split atom model |
|
Locality: Zambia |
|
_database_code_amcsd 0005352 |
|
15.872 15.872 7.138 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .8408 .06 .0238 |
|
NaX 0 0 .8408 .77 .0238 |
|
KX 0 0 .8408 .01 .0238 |
|
TiY .06188 .93812 .4477 .01 .0126 |
|
AlY .06188 .93812 .4477 .37 .0126 |
|
MnY .06188 .93812 .4477 .27 .0126 |
|
LiY .06188 .93812 .4477 .35 .0126 |
|
AlZ .26101 .29776 .4621 .0064 |
|
Si .19001 .19194 .0741 .0055 |
|
B .8904 .1096 .6194 .0079 |
|
F1 .0112 0 .2898 .11 .0462 |
|
OH1 .0112 0 .2898 .05 .0462 |
|
O2 .9488 .0711 .5933 .5 .0204 |
|
OH3 .1345 .8655 .5646 .0109 |
|
O4 .90672 .09328 .0027 .0087 |
|
O5 .09340 .90660 -.0197 .0087 |
|
O6 .1872 .1973 .2982 .0086 |
|
O7 .2859 .2857 -.0069 .0071 |
|
O8 .2708 .2100 .6320 .0088 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Fluor-elbaite |
| |
Burns P C, MacDonald D J, Hawthorne F C |
|
The Canadian Mineralogist 32 (1994) 31-41 |
|
The crystal chemistry of manganese-bearing elbaite |
|
Sample: T11 |
|
Locality: Zambia |
|
_database_code_amcsd 0005353 |
|
15.882 15.882 7.123 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .8408 .05 .0237 |
|
NaX 0 0 .8408 .74 .0237 |
|
KX 0 0 .8408 .01 .0237 |
|
TiY .06163 .93837 .4450 .01 .0118 |
|
AlY .06163 .93837 .4450 .38 .0118 |
|
MnY .06163 .93837 .4450 .28 .0118 |
|
LiY .06163 .93837 .4450 .33 .0118 |
|
AlZ .26096 .29770 .4609 .0065 |
|
Si .18999 .19192 .0723 .99 .0053 |
|
Al .18999 .19192 .0723 .01 .0053 |
|
B .8905 .1095 .6188 .0074 |
|
F1 0 0 .2894 .56 .0444 |
|
OH1 0 0 .2894 .44 .0444 |
|
O2 .93882 .06118 .5910 .0215 |
|
OH3 .13425 .86575 .5628 .0111 |
|
O4 .90681 .09319 -.0008 .0086 |
|
O5 .09348 .90652 -.0211 .0099 |
|
O6 .1872 .1973 .2969 .0083 |
|
O7 .2860 .2858 -.0081 .0071 |
|
O8 .2708 .2098 .6311 .0084 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Fluor-elbaite |
| |
Burns P C, MacDonald D J, Hawthorne F C |
|
The Canadian Mineralogist 32 (1994) 31-41 |
|
The crystal chemistry of manganese-bearing elbaite |
|
Sample: T11, split atom model |
|
Locality: Zambia |
|
_database_code_amcsd 0005354 |
|
15.882 15.882 7.123 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .8408 .05 .0237 |
|
NaX 0 0 .8408 .74 .0237 |
|
KX 0 0 .8408 .01 .0237 |
|
TiY .06163 .93837 .4450 .01 .0118 |
|
AlY .06163 .93837 .4450 .38 .0118 |
|
MnY .06163 .93837 .4450 .28 .0118 |
|
LiY .06163 .93837 .4450 .33 .0118 |
|
AlZ .26096 .29770 .4609 .0065 |
|
Si .18999 .19192 .0723 .99 .0053 |
|
Al .18999 .19192 .0723 .01 .0053 |
|
B .8905 .1095 .6188 .0074 |
|
F1 .0109 0 .2894 .09 .0444 |
|
OH1 .0109 0 .2894 .07 .0444 |
|
O2 .9490 .0715 .5910 .5 .0215 |
|
OH3 .13425 .86575 .5628 .0111 |
|
O4 .90681 .09319 -.0008 .0086 |
|
O5 .09348 .90652 -.0211 .0099 |
|
O6 .1872 .1973 .2969 .0083 |
|
O7 .2860 .2858 -.0081 .0071 |
|
O8 .2708 .2098 .6311 .0084 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluor-elbaite |
| |
Burns P C, MacDonald D J, Hawthorne F C |
|
The Canadian Mineralogist 32 (1994) 31-41 |
|
The crystal chemistry of manganese-bearing elbaite |
|
Sample: T12 |
|
Locality: Zambia |
|
_database_code_amcsd 0005355 |
|
15.926 15.926 7.106 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .8408 .04 .0251 |
|
NaX 0 0 .8408 .77 .0251 |
|
KX 0 0 .8408 .01 .0251 |
|
TiY .06187 .93813 .4472 .01 .0124 |
|
AlY .06187 .93813 .4472 .35 .0124 |
|
FeY .06187 .93813 .4472 .02 .0124 |
|
MnY .06187 .93813 .4472 .29 .0124 |
|
LiY .06187 .93813 .4472 .33 .0124 |
|
AlZ .26114 .29785 .4617 .0067 |
|
Si .19001 .19192 .0737 .0056 |
|
B .8902 .1098 .6198 .0076 |
|
F1 0 0 .2901 .68 .0474 |
|
OH1 0 0 .2901 .32 .0474 |
|
O2 .93883 .06117 .5926 .0214 |
|
OH3 .13454 .86546 .5644 .0109 |
|
O4 .90671 .09329 .0028 .0090 |
|
O5 .09338 .90662 -.0195 .0096 |
|
O6 .1875 .1974 .2981 .0089 |
|
O7 .2859 .2857 -.0071 .0075 |
|
O8 .2707 .2100 .6322 .0091 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluor-elbaite |
| |
Burns P C, MacDonald D J, Hawthorne F C |
|
The Canadian Mineralogist 32 (1994) 31-41 |
|
The crystal chemistry of manganese-bearing elbaite |
|
Sample: T12, split atom model |
|
Locality: Zambia |
|
_database_code_amcsd 0005356 |
|
15.926 15.926 7.106 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .8408 .04 .0251 |
|
NaX 0 0 .8408 .77 .0251 |
|
KX 0 0 .8408 .01 .0251 |
|
TiY .06187 .93813 .4472 .01 .0124 |
|
AlY .06187 .93813 .4472 .35 .0124 |
|
FeY .06187 .93813 .4472 .02 .0124 |
|
MnY .06187 .93813 .4472 .29 .0124 |
|
LiY .06187 .93813 .4472 .33 .0124 |
|
AlZ .26114 .29785 .4617 .0067 |
|
Si .19001 .19192 .0737 .0056 |
|
B .8902 .1098 .6198 .0076 |
|
F1 .0113 0 .2901 .11 .0474 |
|
OH1 .0113 0 .2901 .05 .0474 |
|
O2 .9490 .0715 .5926 .5 .0214 |
|
OH3 .13454 .86546 .5644 .0109 |
|
O4 .90671 .09329 .0028 .0090 |
|
O5 .09338 .90662 -.0195 .0096 |
|
O6 .1875 .1974 .2981 .0089 |
|
O7 .2859 .2857 -.0071 .0075 |
|
O8 .2707 .2100 .6322 .0091 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluor-elbaite |
| |
Burns P C, MacDonald D J, Hawthorne F C |
|
The Canadian Mineralogist 32 (1994) 31-41 |
|
The crystal chemistry of manganese-bearing elbaite |
|
Sample: T15 |
|
Locality: Zambia |
|
_database_code_amcsd 0005357 |
|
15.802 15.802 7.121 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .8408 .08 .0215 |
|
NaX 0 0 .8408 .70 .0215 |
|
AlY .06178 .93822 .4472 .44 .0114 |
|
FeY .06178 .93822 .4472 .10 .0114 |
|
MnY .06178 .93822 .4472 .05 .0114 |
|
LiY .06178 .93822 .4472 .41 .0114 |
|
AlZ .26043 .29727 .4662 .0057 |
|
Si .18991 .19188 .0771 .0050 |
|
B .89068 .10932 .6221 .0067 |
|
F1 0 0 .2954 .67 .0368 |
|
OH1 0 0 .2954 .33 .0368 |
|
O2 .93932 .06068 .5914 .0171 |
|
OH3 .13356 .86644 .5685 .0116 |
|
O4 .90653 .09347 .0047 .0084 |
|
O5 .09344 .90656 -.0180 .0089 |
|
O6 .18615 .19628 .3015 .0080 |
|
O7 .28598 .28594 -.0029 .0068 |
|
O8 .27039 .20979 .6365 .0078 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluor-elbaite |
| |
Burns P C, MacDonald D J, Hawthorne F C |
|
The Canadian Mineralogist 32 (1994) 31-41 |
|
The crystal chemistry of manganese-bearing elbaite |
|
Sample: T15, split atom model |
|
Locality: Zambia |
|
_database_code_amcsd 0005358 |
|
15.802 15.802 7.121 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .8408 .08 .0215 |
|
NaX 0 0 .8408 .70 .0215 |
|
AlY .06178 .93822 .4472 .44 .0114 |
|
FeY .06178 .93822 .4472 .10 .0114 |
|
MnY .06178 .93822 .4472 .05 .0114 |
|
LiY .06178 .93822 .4472 .41 .0114 |
|
AlZ .26043 .29727 .4662 .0057 |
|
Si .18991 .19188 .0771 .0050 |
|
B .89068 .10932 .6221 .0067 |
|
F1 .0097 0 .2954 .11 .0368 |
|
OH1 .0097 0 .2954 .05 .0368 |
|
O2 .9477 .0693 .5914 .5 .0171 |
|
OH3 .13356 .86644 .5685 .0116 |
|
O4 .90653 .09347 .0047 .0084 |
|
O5 .09344 .90656 -.0180 .0089 |
|
O6 .18615 .19628 .3015 .0080 |
|
O7 .28598 .28594 -.0029 .0068 |
|
O8 .27039 .20979 .6365 .0078 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluor-elbaite |
| |
Burns P C, MacDonald D J, Hawthorne F C |
|
The Canadian Mineralogist 32 (1994) 31-41 |
|
The crystal chemistry of manganese-bearing elbaite |
|
Sample: SD |
|
Locality: San Diego mine |
|
_database_code_amcsd 0005359 |
|
15.854 15.854 7.106 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .8408 .17 .0166 |
|
NaX 0 0 .8408 .49 .0166 |
|
AlY .06161 .93839 .4415 .54 .0095 |
|
MnY .06161 .93839 .4415 .01 .0095 |
|
LiY .06161 .93839 .4415 .45 .0095 |
|
AlZ .26006 .29682 .4662 .0061 |
|
Si .18988 .19193 .0758 .98 .0050 |
|
Al .18988 .19193 .0758 .02 .0050 |
|
B .89110 .10890 .6222 .0066 |
|
F1 0 0 .2955 .52 .0263 |
|
OH1 0 0 .2955 .48 .0263 |
|
O2 .93980 .06020 .5886 .0155 |
|
OH3 .13256 .86744 .5684 .0128 |
|
O4 .90642 .09358 .0027 .0094 |
|
O5 .09339 .90661 -.0200 .0099 |
|
O6 .18490 .19516 .3016 .0079 |
|
O7 .28614 .28646 -.0030 .0066 |
|
O8 .27000 .20951 .6367 .0077 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluor-elbaite |
| |
Burns P C, MacDonald D J, Hawthorne F C |
|
The Canadian Mineralogist 32 (1994) 31-41 |
|
The crystal chemistry of manganese-bearing elbaite |
|
Sample: SD, split atom model |
|
Locality: San Diego mine |
|
_database_code_amcsd 0005360 |
|
15.854 15.854 7.106 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .8408 .17 .0166 |
|
NaX 0 0 .8408 .49 .0166 |
|
AlY .06161 .93839 .4415 .54 .0095 |
|
MnY .06161 .93839 .4415 .01 .0095 |
|
LiY .06161 .93839 .4415 .45 .0095 |
|
AlZ .26006 .29682 .4662 .0061 |
|
Si .18988 .19193 .0758 .98 .0050 |
|
Al .18988 .19193 .0758 .02 .0050 |
|
B .89110 .10890 .6222 .0066 |
|
F1 .0077 0 .2955 .08 .0263 |
|
OH1 .0077 0 .2955 .08 .0263 |
|
O2 .9474 .0681 .5886 .5 .0155 |
|
OH3 .13256 .86744 .5684 .0128 |
|
O4 .90642 .09358 .0027 .0094 |
|
O5 .09339 .90661 -.0200 .0099 |
|
O6 .18490 .19516 .3016 .0079 |
|
O7 .28614 .28646 -.0030 .0066 |
|
O8 .27000 .20951 .6367 .0077 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Humberstonite |
|
Burns P C, Hawthorne F C |
|
The Canadian Mineralogist 32 (1994) 381-385 |
|
The crystal structure of humberstonite, a mixed sulfate-nitrate mineral |
|
_database_code_amcsd 0005366 |
|
10.9055 10.9055 24.3949 90 90 120 R-3 |
|
atom x y z Biso |
|
N 1/3 2/3 .0926 2.1 |
|
S .3437 .171 .2747 1.0 |
|
K .5 0 0 .9 |
|
Mg 0 0 0 .3 |
|
Na1 0 0 .1250 1.6 |
|
Na2 .6459 .821 .0917 .9 |
|
O1 .501 .257 .2754 .9 |
|
O2 .285 .128 .3274 .9 |
|
O3 .287 .248 .246 .9 |
|
O4 .308 .033 .242 .9 |
|
O5 .093 .895 .1693 .9 |
|
O6 .417 .797 .0958 .9 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Preobrazhenskite |
|
Burns P C, Hawthorne F C |
|
The Canadian Mineralogist 32 (1994) 387-396 |
|
Structure and hydrogen bonding in preobrazhenskite, a complex heteropolyhedral |
|
borate |
|
_database_code_amcsd 0005367 |
|
16.291 9.181 10.571 90 90 90 Pbcn |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mg1 0 .4283 .25 .0056 .0055 .0078 0 .0003 0 |
|
Mg2 .16602 .06238 .41426 .0060 .0055 .0062 .0004 0 -.0001 |
|
B1 0 .1388 .25 .0073 .0063 .0064 0 .0011 0 |
|
B2 .0888 .1852 .0696 .0092 .0072 .0086 -.0009 .0008 .0007 |
|
B3 .1038 .9591 .1976 .0060 .0076 .0065 .0001 -.0007 .0002 |
|
B4 .1012 .7022 .1200 .0074 .0042 .0058 -.0002 0 -.0005 |
|
B5 .2122 .7785 .2614 .0083 .0071 .0055 0 .0007 .0001 |
|
B6 .1721 .3557 .4096 .0079 .0065 .0073 -.0007 .0021 -.0002 |
|
H3 .126 .351 -.027 .0150 |
|
H6 0 .825 .25 .0150 |
|
H7 .009 .609 .065 .0150 |
|
H11 .230 .434 .545 .0150 |
|
H12 .136 .488 .299 .0150 |
|
O1 .06782 .0493 .2943 .0067 .0074 .0061 .0011 -.0004 -.0007 |
|
O2 .03051 .2389 .1497 .0091 .0061 .0096 0 .0021 .0017 |
|
Oh3 .1236 .2678 -.0231 .0307 .0105 .0223 .0024 .0160 .0057 |
|
O4 .11387 .0420 .0758 .0100 .0074 .0074 .0017 .0028 .0011 |
|
O5 .18564 .9202 .2493 .0071 .0067 .0118 .0007 -.0022 -.0015 |
|
Oh6 .05602 .8269 .1729 .0065 .0058 .0086 -.0005 .0019 -.0010 |
|
Oh7 .04590 .5744 .1171 .0108 .0089 .0096 -.0035 -.0032 .0019 |
|
O8 .13128 .7432 -.0041 .0079 .0065 .0062 .0007 .0021 .0005 |
|
O9 .17179 .6660 .2032 .0079 .0066 .0086 .0009 -.0026 .0011 |
|
O10 .28184 .7489 .3281 .0085 .0076 .0110 .0006 -.0032 -.0017 |
|
Oh11 .27252 .9609 .4745 .0105 .0102 .0079 .0041 .0015 .0015 |
|
Oh12 .38678 .9396 .3345 .0087 .0095 .0122 .0014 .0012 .0053 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Fredrikssonite |
|
Burns P C, Cooper M A, Hawthorne F C |
|
The Canadian Mineralogist 32 (1994) 397-403 |
|
Jahn-Teller-distorted MnO6 octahedra in fredrikssonite, the fourth polymorph |
|
of Mg2Mn(BO3)O2 |
|
_database_code_amcsd 0005368 |
|
9.198 12.528 2.965 90 90 90 Pbam |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mg1 0 0 0 .0057 .0058 .0069 -.0007 0 0 |
|
Mg2 .5 0 .5 .92 .0071 .0054 .0075 .0014 0 0 |
|
Fe2 .5 0 .5 .08 .0071 .0054 .0075 .0014 0 0 |
|
Mg3 .0048 .2800 0 .0062 .0054 .0067 .0009 0 0 |
|
Mn4 .74115 .38458 .5 .78 .0044 .0053 .0054 -.0001 0 0 |
|
Fe4 .74115 .38458 .5 .20 .0044 .0053 .0054 -.0001 0 0 |
|
Al4 .74115 .38458 .5 .02 .0044 .0053 .0054 -.0001 0 0 |
|
B .2782 .3598 .5 .0088 .0073 .0027 -.0006 0 0 |
|
O1 .8536 .0449 .5 .0065 .0076 .0080 .0015 0 0 |
|
O2 .3807 .0786 0 .0069 .0052 .0083 -.0006 0 0 |
|
O3 .6277 .1423 .5 .0058 .0061 .0093 .0001 0 0 |
|
O4 .1130 .1422 0 .0064 .0070 .0082 .0003 0 0 |
|
O5 .8559 .2349 .5 .0065 .0070 .0087 -.0016 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Inderborite |
|
Burns P C, Hawthorne F C |
|
The Canadian Mineralogist 32 (1994) 533-539 |
|
Structure and hydrogen bonding in inderborite, a heteropolyhedral sheet |
|
structure |
|
_database_code_amcsd 0005383 |
|
12.137 7.433 19.234 90 90.29 90 C2/c |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mg 0 0 0 .0149 .0136 .0104 -.0005 -.0003 .0015 |
|
Ca 0 .21603 .25 .0096 .0095 .0110 0 .0002 0 |
|
B1 .0996 .9579 .14969 .0111 .0103 .0100 -.0003 .0006 .0006 |
|
B2 .4049 .3513 .14216 .0082 .0093 .0116 .0003 .0002 .0010 |
|
B3 .0553 .6367 .1659 .0125 .0112 .0133 .0006 .0002 .0007 |
|
O1 -.01566 -.0147 .16342 .0088 .0101 .0146 .0003 .0004 -.0018 |
|
Oh2 .1222 .0084 .07619 .0151 .0259 .0110 -.0010 .0017 .0032 |
|
Oh3 .1610 .0704 .19957 .0127 .0111 .0142 -.0040 0 -.0013 |
|
O4 .1330 .7674 .16103 .0101 .0088 .0260 .0014 .0003 .0009 |
|
O5 -.0545 .6667 .15821 .0105 .0094 .0265 .0004 -.0014 .0031 |
|
Oh6 .0862 .4595 .17832 .0119 .0096 .0303 .0015 -.0004 .0044 |
|
Oh7 .29878 .3776 .17594 .0089 .0195 .0148 .0002 .0012 -.0034 |
|
Oh8 .3881 .3633 .06469 .0180 .0174 .0102 -.0036 -.0010 -.0007 |
|
OW9 .4423 .7471 .03743 .0475 .0228 .0194 .0137 .0063 .0018 |
|
OW10 .3604 .8276 .16832 .0136 .0136 .0250 .0017 -.0025 .0014 |
|
OW11 .1642 .4507 .02170 .0303 .0305 .0313 .0031 -.0045 .0027 |
|
H1 .196 -.020 .064 .0508 |
|
H2 .213 .158 .184 .0508 |
|
H3 .1638 .444 .175 .0508 |
|
H4 .307 .420 .2224 .0508 |
|
H5 .367 .250 .045 .0508 |
|
H6 .411 .748 .0827 .0508 |
|
H7 .406 .849 .018 .0508 |
|
H8 .2832 .806 .172 .0508 |
|
H9 .369 .955 .168 .0508 |
|
H10 .119 .399 .056 .0508 |
|
H11 .231 .485 .045 .0508 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Kaliborite |
|
Burns P C, Hawthorne F C |
|
The Canadian Mineralogist 32 (1994) 885-894 |
|
Kaliborite: An example of a crystallographically symmetrical |
|
hydrogen bond |
|
_database_code_amcsd 0005415 |
|
18.572 8.466 14.689 90 100.02 90 C2/c |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K 0 .1187 .25 .0241 .0292 .0254 0 .0050 0 |
|
Mg .13784 .4234 .16721 .0087 .0090 .0104 -.0007 -.0008 -.0002 |
|
B1 .5005 .1473 .1077 .0089 .0130 .0093 -.0009 -.0006 -.0019 |
|
B2 .0691 .8378 .0255 .0127 .0161 .0130 -.0020 -.0003 -.0006 |
|
B3 .1109 .7955 .1964 .0100 .0087 .0094 0 .0014 -.0009 |
|
B4 .2628 .2025 .2546 .0116 .0099 .0103 .0012 .0013 -.0004 |
|
B5 .3047 .4591 .1928 .0079 .0082 .0097 -.0016 -.0006 .0007 |
|
B6 .2399 .4974 .0236 .0150 .0253 .0106 -.0014 -.0008 .0006 |
|
H1 0 .257 .75 .0564 |
|
H2 .408 .235 .130 .0564 |
|
H3 .383 .546 .067 .0564 |
|
H4 .003 .422 .068 .0564 |
|
H5 .207 .939 .076 .0564 |
|
H6 .146 .439 -.020 .0564 |
|
H7 .120 .101 .123 .0564 |
|
H8 .077 .196 .057 .0564 |
|
H9 .404 .964 .172 .0564 |
|
H10 .341 .851 .173 .0564 |
|
O1 .0134 .7310 .0241 .0167 .0177 .0103 -.0058 -.0006 .0007 |
|
Oh2 .0361 .7340 .1889 .0090 .0151 .0088 -.0032 .0004 -.0028 |
|
O3 .1171 .8722 .1054 .0123 .0151 .0110 -.0038 .0005 .0019 |
|
O4 .37643 .3994 .2268 .0087 .0107 .0136 .0011 -.0001 .0035 |
|
O5 .1658 .6612 .2086 .0091 .0082 .0159 .0012 -.0021 -.0018 |
|
O6 .2946 .6096 .2380 .0115 .0114 .0281 .0002 -.0016 -.0069 |
|
O7 .2466 .3461 .2104 .0097 .0091 .0157 .0003 .0004 .0025 |
|
O8 .2991 .4863 .0914 .0119 .0278 .0114 -.0030 -.0023 .0063 |
|
Oh9 .4214 .1352 .1073 .0084 .0182 .0159 -.0020 -.0008 -.0028 |
|
Oh10 .4278 .5920 .0568 .0251 .0403 .0137 -.0146 -.0019 .0098 |
|
Oh11 .0321 .4888 .1126 .0132 .0114 .0188 .0010 -.0036 -.0030 |
|
Oh12 .2557 .9580 .0647 .0162 .0676 .0131 -.0043 -.0005 .0120 |
|
Oh13 .1710 .4636 .0411 .0123 .0348 .0117 -.0046 -.0016 .0011 |
|
OW14 .0988 .2048 .1204 .0244 .0119 .0278 .0017 -.0096 -.0017 |
|
OW15 .3892 .8757 .2046 .0228 .0203 .0181 -.0046 .0033 -.0015 |
|
|
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|
| |
|
Tunellite |
|
Burns P C, Hawthorne F C |
|
The Canadian Mineralogist 32 (1994) 895-902 |
|
Hydrogen bonding in tunellite |
|
_database_code_amcsd 0005416 |
|
14.415 8.213 9.951 90 114.05 90 P2_1/a |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Sr .16216 .05603 .19511 .0199 .0121 .0084 -.0008 .0085 -.0008 |
|
B1 .1925 .1548 .8474 .0099 .0094 .0087 .0010 .0046 -.0007 |
|
B2 .1923 .1590 .5854 .0133 .0091 .0073 -.0013 .0053 -.0015 |
|
B3 .0432 .2489 .6286 .0155 .0144 .0102 -.0007 .0053 -.0001 |
|
B4 .1909 .4530 .2190 .0170 .0094 .0065 -.0027 .0072 .0011 |
|
B5 .2537 .3916 .4832 .0163 .0109 .0082 .0031 .0078 .0027 |
|
B6 .2521 .3881 .0227 .0082 .0110 .0079 .0023 .0017 .0007 |
|
H1 .057 .659 .337 .0570 |
|
H2 .95 .077 .204 .0570 |
|
H3 .022 .165 .340 .0570 |
|
H4 .038 .461 .139 .0570 |
|
H5 .045 .730 .084 .0570 |
|
H6 -.013 .832 .132 .0570 |
|
H7 .111 .630 .774 .0570 |
|
H8 .105 .604 .612 .0570 |
|
O1 .1933 .0287 .9513 .0199 .0129 .0110 .0044 .0100 .0055 |
|
O2 .2011 .0413 .4814 .0260 .0103 .0083 .0032 .0081 -.0001 |
|
Oh3 .0513 .6818 .4274 .0202 .0492 .0169 .0158 .0082 .0116 |
|
OW4 .9996 .1712 .2355 .0327 .0476 .0168 .0009 .0027 -.0091 |
|
Oh5 .0943 .5346 .1759 .0140 .0190 .0279 .0008 .0091 -.0014 |
|
O6 .2427 .8011 .3995 .0225 .0100 .0103 .0019 .0084 -.0016 |
|
O7 .2085 .3405 .3409 .0265 .0098 .0084 -.0055 .0079 -.0006 |
|
O8 .2381 .7884 .0797 .0205 .0128 .0121 .0017 .0107 .0047 |
|
O9 .1947 .3512 .0993 .0213 .0113 .0112 -.0039 .0101 -.0057 |
|
O10 .0895 .2126 .7740 .0143 .0192 .0086 .0074 .0071 .0034 |
|
O11 .0866 .2093 .5338 .0172 .0212 .0068 .0060 .0046 .0024 |
|
OW12 .0221 .8404 .0693 .0328 .0214 .0289 .0011 .0226 .0027 |
|
OW13 .1410 .5794 .7144 .0291 .0385 .0183 .0100 .0069 .0079 |
|
O14 .2259 .0794 .7357 .0163 .0077 .0038 .0002 .0061 .0006 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Parakhinite |
|
Burns P C, Cooper M A, Hawthorne F C |
|
The Canadian Mineralogist 33 (1995) 33-40 |
|
Parakhinite, Cu3PbTeO6(OH)2: Crystal structure and revision of chemical formula |
|
_database_code_amcsd 0005427 |
|
5.765 5.765 18.001 90 90 120 P3_2 |
|
atom x y z Uiso |
|
Pb .3331 .1659 .1883 .0095 |
|
Te .3296 .1661 -.0167 .0003 |
|
Cu1 .833 .659 -.2733 .0012 |
|
Cu2 .326 .660 .0592 .0006 |
|
Cu3 -.177 .660 -.0155 .0005 |
|
O1 .575 .413 -.082 .0010 |
|
O2 .080 .909 -.084 .0027 |
|
O3 .497 .980 -.012 .0036 |
|
O4 .576 .412 .059 .0006 |
|
O5 .118 .364 -.015 .0086 |
|
O6 .076 .911 .058 .0010 |
|
OH7 .561 .916 .134 .0015 |
|
OH8 .081 .413 .132 .0019 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Khinite |
|
Burns P C, Cooper M A, Hawthorne F C |
|
The Canadian Mineralogist 33 (1995) 33-40 |
|
Parakhinite, Cu3PbTeO6(OH)2: Crystal structure and revision of chemical formula |
|
Note: This mineral is now known as the -3T polytype of khinite, |
|
formerly known as parakhinite |
|
_database_code_amcsd 0005428 |
|
5.765 5.765 18.001 90 90 120 P3_2 |
|
atom x y z Uiso |
|
Pb .3331 .1659 .1883 .0095 |
|
Te .3296 .1661 -.0167 .0003 |
|
Cu1 .833 .659 -.2733 .0012 |
|
Cu2 .326 .660 .0592 .0006 |
|
Cu3 -.177 .660 -.0155 .0005 |
|
O1 .575 .413 -.082 .0010 |
|
O2 .080 .909 -.084 .0027 |
|
O3 .497 .980 -.012 .0036 |
|
O4 .576 .412 .059 .0006 |
|
O5 .118 .364 -.015 .0086 |
|
O6 .076 .911 .058 .0010 |
|
OH7 .561 .916 .134 .0015 |
|
OH8 .081 .413 .132 .0019 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Claringbullite |
|
Burns P C, Cooper M A, Hawthorne F C |
|
The Canadian Mineralogist 33 (1995) 633-639 |
|
Claringbullite: A Cu oxysalt with Cu in trigonal-prismatic coordination |
|
_database_code_amcsd 0005432 |
|
6.6733 6.6733 9.185 90 90 120 P6_3/mmc |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Cu1 .5 0 0 .0091 .0088 .0256 .0044 -.0030 -.0061 |
|
Cu2 .3711 .7422 .75 .33 .0086 .0124 .0054 .0062 0 0 |
|
H .125 .875 .868 .0200 |
|
Cl1 2/3 1/3 .75 .0235 .0235 .0247 .0118 0 0 |
|
Cl2 0 0 .75 .0396 .0396 .0515 .0198 0 0 |
|
O1 .2017 .7983 .9082 .0084 .0084 .0138 .0034 -.0017 .0017 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Olivenite |
|
Burns P C, Hawthorne F C |
|
The Canadian Mineralogist 33 (1995) 885-888 |
|
Rietveld refinement of the crystal structure of olivenite: A twinned monoclinic |
|
structure |
|
_database_code_amcsd 0005461 |
|
8.5894 8.2076 5.9286 90 90 90 Pnnm |
|
atom x y z Biso |
|
As .2507 .2624 0 .51 |
|
Cu1 .8805 .3624 0 1.30 |
|
Cu2 0 0 .2510 .93 |
|
O1 .1060 .4012 0 1.1 |
|
O2 .4163 .3654 0 1.1 |
|
O3 .8992 .1198 0 1.1 |
|
O4 .2347 .1511 .7733 1.1 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Olivenite |
|
Burns P C, Hawthorne F C |
|
The Canadian Mineralogist 33 (1995) 885-888 |
|
Rietveld refinement of the crystal structure of olivenite: A twinned monoclinic |
|
structure |
|
Note: The sign of Cu1-z coordinate changed. |
|
_database_code_amcsd 0005462 |
|
8.5894 8.2073 5.9285 90.088 90 90 P2_1/n |
|
atom x y z Biso |
|
As .2503 .2627 .0052 .70 |
|
Cu1 .8807 .3624 .0023 1.38 |
|
Cu2 -.0016 -.0007 .2501 .96 |
|
O1 .1069 .4022 .0551 .37 |
|
O2 .4171 .3667 -.0076 .37 |
|
O3 .8998 .1213 .0029 .37 |
|
O4 .2135 .1499 .2269 .37 |
|
O5 .2577 .1528 .7710 .37 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Hambergite |
|
Burns P C, Novak M, Hawthorne F C |
|
The Canadian Mineralogist 33 (1995) 1205-1213 |
|
Fluorine-hydroxyl variation in hambergite: A crystal-structure study |
|
Note: sample HM1 |
|
Locality: Himalaya mine, California, USA |
|
_database_code_amcsd 0005470 |
|
9.776 12.194 4.430 90 90 90 Pbca |
|
atom x y z Uiso |
|
Be1 .0030 .1885 .2632 .0070 |
|
Be2 .2376 .0679 .2767 .0075 |
|
B .1063 .1072 .7729 .0062 |
|
H .814 .216 .075 .0200 |
|
O1 .0372 .1877 .6192 .0079 |
|
O2 .1009 .1026 .0825 .0076 |
|
O3 .1871 .0342 .6175 .0079 |
|
O4 .3400 .1731 .2952 .0096 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Hambergite |
|
Burns P C, Novak M, Hawthorne F C |
|
The Canadian Mineralogist 33 (1995) 1205-1213 |
|
Fluorine-hydroxyl variation in hambergite: A crystal-structure study |
|
Note: sample HM2 |
|
Locality: Susice |
|
_database_code_amcsd 0005471 |
|
9.754 12.231 4.4340 90 90 90 Pbca |
|
atom x y z Uiso |
|
Be1 .0028 .1887 .2632 .0076 |
|
Be2 .2374 .0675 .2773 .0077 |
|
B .1063 .1074 .7739 .0067 |
|
H .816 .214 .077 .0200 |
|
O1 .0377 .1879 .6201 .0078 |
|
O2 .1017 .1032 .0830 .0076 |
|
O3 .1870 .0346 .6177 .0078 |
|
O4 .3409 .1716 .2950 .0103 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Hambergite |
|
Burns P C, Novak M, Hawthorne F C |
|
The Canadian Mineralogist 33 (1995) 1205-1213 |
|
Fluorine-hydroxyl variation in hambergite: A crystal-structure study |
|
Note: sample HM3 |
|
Locality: Ctidruzice |
|
_database_code_amcsd 0005472 |
|
9.678 12.313 4.439 90 90 90 Pbca |
|
atom x y z Uiso |
|
Be1 .0033 .1894 .2632 .0102 |
|
Be2 .2384 .0667 .2798 .0100 |
|
B .1077 .1090 .7762 .0099 |
|
H .808 .205 .121 .0200 |
|
O1 .0375 .1885 .6235 .0104 |
|
O2 .1033 .1045 .0857 .0103 |
|
O3 .1880 .0363 .6209 .0109 |
|
O4 .3442 .1672 .2950 .0140 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Hambergite |
|
Burns P C, Novak M, Hawthorne F C |
|
The Canadian Mineralogist 33 (1995) 1205-1213 |
|
Fluorine-hydroxyl variation in hambergite: A crystal-structure study |
|
Note: sample HM4 |
|
Locality: Kracovice |
|
_database_code_amcsd 0005473 |
|
9.663 12.364 4.440 90 90 90 Pbca |
|
atom x y z Uiso |
|
Be1 .0039 .1893 .2632 .0080 |
|
Be2 .2386 .0666 .2812 .0080 |
|
B .1079 .1096 .7780 .0081 |
|
H .812 .196 .094 .0200 |
|
O1 .0376 .1887 .6244 .0086 |
|
O2 .1039 .1052 .0868 .0087 |
|
O3 .1884 .0366 .6215 .0094 |
|
O4 .3451 .1659 .2951 .0127 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Hambergite |
|
Burns P C, Novak M, Hawthorne F C |
|
The Canadian Mineralogist 33 (1995) 1205-1213 |
|
Fluorine-hydroxyl variation in hambergite: A crystal-structure study |
|
Note: sample HM5 |
|
Locality: Kracovice |
|
_database_code_amcsd 0005474 |
|
9.654 12.347 4.4364 90 90 90 Pbca |
|
atom x y z Uiso |
|
Be1 .0040 .1893 .2632 .0081 |
|
Be2 .2383 .0660 .2800 .0080 |
|
B .1081 .1093 .7775 .0075 |
|
H .816 .195 .046 .0200 |
|
O1 .0375 .1887 .6244 .0084 |
|
O2 .1039 .1052 .0867 .0086 |
|
O3 .1883 .0367 .6215 .0090 |
|
O4 .3449 .1660 .2951 .0131 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Jorgensenite |
|
Hawthorne F C, Burns P C |
|
The Canadian Mineralogist 35 (1997) 1509-1513 |
|
The crystal structure of jorgensenite |
|
_database_code_amcsd 0005533 |
|
16.059 10.974 7.277 90 101.70 90 C2/m |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
SrX1 0 0 0 .031 .039 .033 0 .004 0 |
|
SrX2 .2615 0 .1291 .4 .034 .032 .034 0 .008 0 |
|
BaX2 .2615 0 .1291 .6 .034 .032 .034 0 .008 0 |
|
SrX3 .3513 .1947 .6952 .033 .036 .032 .001 .006 .000 |
|
Al1 .1631 0 .5408 .031 .029 .025 0 .005 0 |
|
Al2 .1080 .2430 .7973 .031 .028 .027 .000 .007 .000 |
|
Na1 0 .5 0 .032 .042 .025 0 .000 0 |
|
Na2 0 .5 .5 .029 .037 .026 0 .010 0 |
|
OH1 .4225 0 .7158 .028 .022 .020 0 .001 0 |
|
F2 .2429 0 .7533 .044 .049 .022 0 .002 0 |
|
F3 .0951 0 .3136 .035 .056 .025 0 -.001 0 |
|
F4 .1151 .3660 .9670 .044 .037 .026 .002 .006 -.005 |
|
F5 .2265 .1163 .4512 .036 .033 .035 -.004 .008 .003 |
|
F6 .2202 .2535 .8104 .033 .040 .032 .000 .008 -.001 |
|
F7 .0025 .2282 .2101 .032 .050 .039 -.006 .008 -.001 |
|
F8 .0946 .3556 .6135 .052 .049 .034 .007 .012 .012 |
|
F9 .0998 .1182 .6225 .045 .048 .056 -.001 .009 -.021 |
|
F10 .1260 .1352 .9910 .040 .034 .033 .000 .006 .008 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Latrappite |
|
Mitchell R H, Choi J B, Hawthorne F C, McCammon C A, Burns P C |
|
The Canadian Mineralogist 36 (1998) 107-116 |
|
Latrappite: A re-investigation |
|
_database_code_amcsd 0005539 |
|
5.4479 5.5259 7.7575 90 90 90 Pbnm |
|
atom x y z occ Biso |
|
Ca -.0076 .0359 .25 .75 .61 |
|
Na -.0076 .0359 .25 .25 .61 |
|
Nb 0 .5 0 .57 .40 |
|
Fe 0 .5 0 .15 .40 |
|
Ti 0 .5 0 .28 .40 |
|
O1 .0764 .0764 .25 .53 |
|
O2 .7087 .2871 .0364 .50 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Richetite |
|
Burns P C |
|
The Canadian Mineralogist 36 (1998) 187-199 |
|
The structure of richetite, a rare lead uranyl oxide hydrate |
|
_database_code_amcsd 0005540 |
|
20.9391 12.1000 16.3450 103.87 115.37 90.27 P1 |
|
atom x y z occ Uiso |
|
U(1) .1029 .9383 .2574 .0190 |
|
U(2) .2746 .4374 .2824 .0198 |
|
U(3) .4449 .5688 .2816 .0097 |
|
U(4) -.0599 .4383 .2653 .0158 |
|
U(5) -.2335 .5781 .2666 .0213 |
|
U(6) .1037 .5518 .2542 .0217 |
|
U(7) .2542 .7554 .2727 .0090 |
|
U(8) .5954 .7629 .2848 .0177 |
|
U(9) .4384 -.0589 .2665 .0162 |
|
U(10) .4054 .2443 .2465 .0172 |
|
U(11) -.0931 .7456 .2493 .0146 |
|
U(12) -.2316 .9306 .2728 .0177 |
|
U(13) .0976 .2579 .2841 .0176 |
|
U(14) .6038 .4389 .2560 .0184 |
|
U(15) .2641 .0772 .2661 .0208 |
|
U(16) -.2482 .2520 .2663 .0073 |
|
U(17) .5998 .0502 .2457 .0167 |
|
U(18) -.0590 .0678 .2769 .0099 |
|
U(19) .4407 .2469 .7556 .0333 |
|
U(20) .7549 .9297 .7503 .0218 |
|
U(21) .9267 .0746 .7565 .0148 |
|
U(22) .2903 .7569 .7862 .0185 |
|
U(23) .0950 .9494 .7833 .0171 |
|
U(24) .4267 -.0861 .7555 .0132 |
|
U(25) .5995 .7487 .7500 .0126 |
|
U(26) .1006 .2430 .7494 .0131 |
|
U(27) .7898 .2570 .7852 .0192 |
|
U(28) .2631 .0660 .7673 .0171 |
|
U(29) .9430 .7501 .7643 .0345 |
|
U(30) .0940 .5657 .7765 .0247 |
|
U(31) .5917 .4472 .7762 .0122 |
|
U(32) .5955 .0658 .7743 .0225 |
|
U(33) .4213 .5690 .7460 .0119 |
|
U(34) .2507 .4287 .7450 .0216 |
|
U(35) .9242 .4132 .7537 .0122 |
|
U(36) .7613 .5695 .7670 .0150 |
|
Pb(1) -.0303 .6697 .5188 .94 .0341 |
|
Pb(2) .0744 .9696 .5218 .71 .0264 |
|
Pb(3) .4636 .5237 .5453 .62 .0219 |
|
Pb(4) .2337 .4780 .4902 .62 .0272 |
|
Pb(5) .6172 .9569 .0037 .90 .0385 |
|
Pb(6) .7119 .6872 .0159 .81 .0410 |
|
Pb(7) .0800 .0443 .0299 .63 .0164 |
|
Pb(8) .7266 .3359 .5159 .76 .0270 |
|
Pb(9) -.0157 .3152 .0140 .68 .0299 |
|
Pb(10) .6224 .0312 .5117 .92 .0438 |
|
Pb(11) .1191 .464 .009 .34 .0380 |
|
Pb(12) .2128 .187 .019 .31 .0463 |
|
Pb(13) .3066 .6932 .5408 .50 .0413 |
|
FeM(1) .349 .507 .016 .47 .0235 |
|
MgM(1) .349 .507 .016 .53 .0235 |
|
MgM(2) -.151 .013 .015 .30 .0235 |
|
O(1) .147 .940 .376 .0215 |
|
O(2) .067 .926 .131 .0215 |
|
O(3) .036 .074 .250 .0215 |
|
O(4) .203 .920 .243 .0215 |
|
O(5) .178 .132 .296 .0215 |
|
O(6) .225 .379 .158 .0215 |
|
O(7) .325 .467 .411 .0215 |
|
O(8) .218 .583 .286 .0215 |
|
O(9) .177 .393 .310 .0215 |
|
O(10) .318 .267 .308 .0215 |
|
O(11) .369 .420 .260 .0215 |
|
O(12) .495 .565 .402 .0215 |
|
O(13) .398 .568 .161 .0215 |
|
O(14) .544 .578 .263 .0215 |
|
O(15) -.111 .353 .149 .0215 |
|
O(16) -.006 .520 .386 .0215 |
|
O(17) -.136 .574 .251 .0215 |
|
O(18) .047 .393 .250 .0215 |
|
O(19) -.176 .625 .396 .0215 |
|
O(20) -.186 .760 .286 .0215 |
|
O(21) .707 .415 .237 .0215 |
|
O(22) .675 .628 .286 .0215 |
|
O(23) -.292 .593 .144 .0215 |
|
O(24) .130 .624 .368 .0215 |
|
O(25) .079 .492 .131 .0215 |
|
O(26) .232 .704 .154 .0215 |
|
O(27) .263 .798 .389 .0215 |
|
O(28) .635 .802 .406 .0215 |
|
O(29) .565 .716 .162 .0215 |
|
O(30) .549 -.080 .266 .0215 |
|
O(31) .668 .897 .284 .0215 |
|
O(32) .488 .027 .390 .0215 |
|
O(33) .387 -.140 .151 .0215 |
|
O(34) .363 .071 .237 .0215 |
|
O(35) .355 .220 .120 .0215 |
|
O(36) .467 .287 .369 .0215 |
|
O(37) -.145 .707 .121 .0215 |
|
O(38) -.040 .785 .373 .0215 |
|
O(39) -.129 .914 .252 .0215 |
|
O(40) -.274 .878 .146 .0215 |
|
O(41) -.181 .974 .399 .0215 |
|
O(42) .706 .083 .248 .0215 |
|
O(43) .069 .216 .159 .0215 |
|
O(44) .133 .294 .410 .0215 |
|
O(45) .648 .412 .365 .0215 |
|
O(46) .565 .434 .131 .0215 |
|
O(47) .211 .083 .146 .0215 |
|
O(48) .321 .107 .389 .0215 |
|
O(49) -.275 .207 .142 .0215 |
|
O(50) -.237 .298 .385 .0215 |
|
O(51) .635 .129 .363 .0215 |
|
O(52) .563 -.013 .122 .0215 |
|
O(53) -.109 .069 .155 .0215 |
|
O(54) -.013 .065 .398 .0215 |
|
O(55) .418 .191 .632 .0215 |
|
O(56) .455 .286 .878 .0215 |
|
O(57) .483 .417 .766 .0215 |
|
O(58) .476 .073 .761 .0215 |
|
O(59) .696 .919 .628 .0215 |
|
O(60) .810 .934 .870 .0215 |
|
O(61) .649 .907 .744 .0215 |
|
O(62) .819 .067 .742 .0215 |
|
O(63) .891 .022 .630 .0215 |
|
O(64) .975 .138 .888 .0215 |
|
O(65) .897 .248 .743 .0215 |
|
O(66) .988 .928 .781 .0215 |
|
O(67) .039 .120 .764 .0215 |
|
O(68) .234 .735 .663 .0215 |
|
O(69) .355 .793 .910 .0215 |
|
O(70) .318 .572 .754 .0215 |
|
O(71) .341 .939 .792 .0215 |
|
O(72) .393 .742 .744 .0215 |
|
O(73) .069 .884 .661 .0215 |
|
O(74) .129 .027 .907 .0215 |
|
O(75) .171 .092 .777 .0215 |
|
O(76) .371 -.102 .631 .0215 |
|
O(77) .486 -.058 .880 .0215 |
|
O(78) .524 -.125 .719 .0215 |
|
O(79) .571 .690 .625 .0215 |
|
O(80) .625 .797 .875 .0215 |
|
O(81) .530 .610 .746 .0215 |
|
O(82) .666 .590 .777 .0215 |
|
O(83) .140 .305 .873 .0215 |
|
O(84) .066 .170 .625 .0215 |
|
O(85) .143 .405 .737 .0215 |
|
O(86) .011 .356 .715 .0215 |
|
O(87) .728 .222 .662 .0215 |
|
O(88) .854 .294 .912 .0215 |
|
O(89) .841 .438 .803 .0215 |
|
O(90) .308 .143 .890 .0215 |
|
O(91) .214 -.008 .646 .0215 |
|
O(92) .923 .708 .645 .0215 |
|
O(93) .951 .783 .881 .0215 |
|
O(94) .982 .571 .766 .0215 |
|
O(95) .069 .572 .662 .0215 |
|
O(96) .123 .559 .894 .0215 |
|
O(97) .625 .516 .901 .0215 |
|
O(98) .568 .378 .650 .0215 |
|
O(99) .624 .062 .893 .0215 |
|
O(100) .577 .079 .657 .0215 |
|
O(101) .377 .509 .618 .0215 |
|
O(102) .467 .613 .875 .0215 |
|
O(103) .302 .444 .868 .0215 |
|
O(104) .200 .404 .619 .0215 |
|
O(105) .979 .451 .882 .0215 |
|
O(106) .863 .391 .624 .0215 |
|
O(107) .806 .636 .889 .0215 |
|
O(108) .719 .486 .645 .0215 |
|
OH(1) -.014 .865 .232 .0215 |
|
OH(2) .118 .734 .213 .0215 |
|
OH(3) .364 .642 .327 .0215 |
|
OH(4) .478 .758 .306 .0215 |
|
OH(5) .484 .369 .220 .0215 |
|
OH(6) -.143 .390 .314 .0215 |
|
OH(7) -.023 .263 .313 .0215 |
|
OH(8) -.022 .594 .215 .0215 |
|
OH(9) .359 .901 .313 .0215 |
|
OH(10) .477 .097 .211 .0215 |
|
OH(11) -.143 .145 .329 .0215 |
|
OH(12) .615 .234 .198 .0215 |
|
OH(13) .350 .121 .718 .0215 |
|
OH(14) .350 .355 .708 .0215 |
|
OH(15) .578 .261 .803 .0215 |
|
OH(16) .854 .868 .722 .0215 |
|
OH(17) .716 .722 .708 .0215 |
|
OH(18) .714 .131 .811 .0215 |
|
OH(19) .220 .905 .834 .0215 |
|
OH(20) .212 .631 .803 .0215 |
|
OH(21) .080 .771 .812 .0215 |
|
OH(22) .214 .221 .707 .0215 |
|
OH(23) .710 .398 .818 .0215 |
|
OH(24) .853 .621 .730 .0215 |
|
Wat(1) .389 .302 .477 .0201 |
|
Wat(2) .583 .764 .016 .0201 |
|
Wat(3) .160 .120 .515 .0201 |
|
Wat(4) .106 .776 .524 .0201 |
|
Wat(5) .764 .925 .019 .0201 |
|
Wat(6) .124 .531 .522 .0201 |
|
Wat(7) .287 .323 .522 .0201 |
|
Wat(8) .413 .709 .544 .0201 |
|
Wat(9) .732 .982 .495 .0201 |
|
Wat(10) .782 .528 .519 .0201 |
|
Wat(11) .152 .840 .014 .0201 |
|
Wat(12) .100 .269 .013 .0201 |
|
Wat(13) .577 .474 .524 .0201 |
|
Wat(14) .435 .571 .011 .0201 |
|
Wat(15) -.089 .837 .035 .0201 |
|
Wat(16) .275 .410 .026 .0201 |
|
Wat(17) .386 .332 .010 .0201 |
|
Wat(18) .291 .635 .003 .0201 |
|
Wat(19) .600 .285 .523 .0201 |
|
Wat(20) .473 .171 .519 .0201 |
|
Wat(21) -.081 .437 .495 .0201 |
|
Wat(22) .418 .025 .012 .0201 |
|
Wat(23) .278 .047 .527 .0201 |
|
Wat(24) -.081 .525 .025 .0201 |
|
Wat(25) .768 .469 .014 .0201 |
|
Wat(26) .029 .325 .508 .0201 |
|
Wat(27) .654 .647 .518 .0201 |
|
Wat(28) .411 -.038 .513 .0201 |
|
Wat(29) .273 .948 .007 .0201 |
|
Wat(30) .958 .039 .539 .0201 |
|
Wat(31) .546 .157 .036 .0201 |
|
Wat(32) .889 .800 .482 .0201 |
|
Wat(33) -.091 .184 .514 .0201 |
|
Wat(34) .045 .663 .036 .0201 |
|
Wat(35) .481 .807 .000 .0201 |
|
Wat(36) -.351 .346 .020 .0201 |
|
Wat(37) .531 .840 .497 .0201 |
|
Wat(38) .226 .838 .517 .0201 |
|
Wat(39) .934 .102 .021 .0201 |
|
Wat(40) -.421 .534 .024 .0201 |
|
Wat(41) -.185 .190 .032 .0201 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Compreignacite |
|
Burns P C |
|
The Canadian Mineralogist 36 (1998) 1061-1067 |
|
The structure of compreignacite, K2((UO2)3O2(OH)3)2(H2O)7 |
|
_database_code_amcsd 0005561 |
|
14.8591 7.1747 12.1871 90 90 90 Pnnm |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
U1 .73021 .04748 0 .0143 .0111 .0080 -.0006 0 0 |
|
U2 .75811 -.00872 -.30983 .0161 .0073 .0094 .0004 .0002 -.0006 |
|
K .0034 -.144 -.1270 .51 .0303 .0518 .0255 -.0009 -.0005 -.0002 |
|
OH1 .7959 -.058 -.5 .0361 .0138 .0087 .0016 0 0 |
|
O2 .6091 .082 0 .0241 .0166 .0140 .0052 0 0 |
|
OH3 .7048 -.1859 -.1382 .0148 .0126 .0118 .0025 .0042 -.0008 |
|
O4 .8754 -.0372 -.2775 .0278 .0170 .0213 .0046 -.0026 -.0035 |
|
O5 .6420 .0233 -.3480 .0267 .0228 .0157 .0049 -.0038 .0000 |
|
O6 .7475 .1813 -.1616 .0328 .0085 .0117 .0002 .0026 -.0021 |
|
O7 .8483 -.012 0 .0233 .0386 .0147 .0042 0 0 |
|
Wat8 .5195 -.201 -.1622 .0245 .0316 .0562 .0001 .0000 -.0166 |
|
Wat9 0 0 .5 .0619 .0355 .0339 -.0077 0 0 |
|
Wat10 .006 -.257 -.090 .46 .0230 .0175 .0604 .0004 -.0040 .0079 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Boltwoodite |
|
Burns P C |
|
The Canadian Mineralogist 36 (1998) 1069-1075 |
|
The structure of boltwoodite and implications of solid solution toward sodium |
|
boltwoodite |
|
_database_code_amcsd 0005562 |
|
7.0772 7.0597 6.6479 90 104.982 90 P2_1/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) |
|
U .52463 .75 .63810 .0247 .0071 .0110 0 .0058 0 |
|
Si .4320 .75 .1481 .0296 .0122 .0122 0 .0064 0 |
|
K .046 .037 .641 .28 .0431 |
|
Na 0 0 .5 .21 .0626 |
|
O1 .786 .75 .668 .0244 .0327 .0275 0 .0086 0 |
|
O2 .263 .75 .597 .0195 .0377 .0255 0 .0062 0 |
|
O3 .566 .75 .988 .0324 .0155 .0183 0 .0102 0 |
|
O4 .5246 .0740 .6888 .0630 .0064 .0153 .0018 .0108 -.0006 |
|
OH5 .203 .75 .030 .0366 .0536 .0364 0 .0177 0 |
|
Wat6 .921 .925 .201 .53 .0639 |
|
Wat7 .938 .75 .245 .21 .1110 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Edoylerite |
|
Burns P C |
|
The Canadian Mineralogist 37 (1999) 113-118 |
|
The structure of edoylerite determined from a microcrystal |
|
_database_code_amcsd 0005595 |
|
7.5283 14.8325 7.4629 90 118.746 90 P2_1/c |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Hg1 .1673 .0432 .3681 .0265 .0228 .0268 .0268 -.0041 .0095 .0034 |
|
Hg2 .1033 .1437 -.0814 .0256 .0226 .0318 .0195 -.0044 .0077 -.0020 |
|
Hg3 .5952 .1633 .3976 .0244 .0147 .0303 .0258 .0012 .0078 .0028 |
|
Cr .6200 .0959 .8917 .0163 .0118 .0228 .0153 .0025 .0073 .0042 |
|
S1 .240 .1865 .268 .0178 .0150 .0168 .0183 .0017 .0055 -.0044 |
|
S2 -.069 .1034 -.431 .0212 .0120 .0334 .0190 -.0035 .0080 -.0078 |
|
O1 .491 .123 .007 .0430 |
|
O2 .693 .191 .820 .0438 |
|
O3 .487 .033 .698 .0533 |
|
O4 .824 .036 .037 .0371 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Cs3[(UO2)12O7(OH)13](H2O)3 |
| |
Hill F C, Burns P C |
|
The Canadian Mineralogist 37 (1999) 1283-1288 |
|
The structure of a synthetic Cs uranyl oxide hydrate and its relationship to |
|
compreignacite |
|
_database_code_amcsd 0005631 |
|
14.1241 14.1241 22.4073 90 90 120 R3 |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
U1 .47576 .33444 -.02919 .0102 .0068 .0188 .0036 .0013 -.0013 |
|
U2 .35595 .0247 -.00859 .0085 .0097 .0231 .0057 -.0024 -.0012 |
|
U3 .35652 .52352 .00675 .0082 .0095 .0199 .0048 .0003 .0005 |
|
U4 .17139 .15090 .01209 .0076 .0085 .0164 .0033 -.0002 -.0002 |
|
Cs .5303 .4590 .16350 .0430 .0350 .0214 .0171 .0065 .0041 |
|
O1 .360 .493 .0822 .0238 |
|
O2 .348 .547 -.0692 .0219 |
|
O3 .220 .188 .0860 .0271 |
|
O4 .119 .118 -.0600 .0232 |
|
O5 .455 .339 .8915 .0236 |
|
O6 .311 -.020 -.0844 .0208 |
|
O7 1/3 2/3 .0300 .0154 |
|
O8 .395 .068 .0670 .0167 |
|
O9 .498 .504 -.0180 .0270 |
|
O10 .507 .331 .0460 .0395 |
|
O11 .324 .159 -.0213 .0144 |
|
OH12 0 0 .0460 .0043 |
|
OH13 .164 .460 .0242 .0091 |
|
OH14 .032 .206 .0270 .0116 |
|
OH15 .527 .198 -.0523 .0144 |
|
OH16 .287 .331 -.0219 .0216 |
|
Wat17 .346 .221 .1918 .0281 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Masuyite |
|
Burns P C, Hanchar J M |
|
The Canadian Mineralogist 37 (1999) 1483-1491 |
|
The structure of masuyite, Pb[(UO2)3O3(OH)2](H2O)3, |
|
and its relationship to protasite |
|
_database_code_amcsd 0005638 |
|
12.241 7.008 6.983 90 90.402 90 Pn |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
U1 .9988 .0185 .0024 .0160 .0136 .0290 .0053 .0035 -.0033 -.0035 |
|
U2 .1797 .0180 .5419 .0164 .0059 .0247 .0185 .0055 .0010 .0014 |
|
U3 .8802 .0122 .4836 .0180 .0116 .0262 .0163 .0027 .0020 -.0022 |
|
Pb1 .0254 .4960 .6625 .93 .0328 .0331 .0300 .0352 .0009 .0008 .0036 |
|
Pb2 .853 .509 .192 .12 .0415 |
|
O1 .994 .283 .029 .0416 |
|
O2 .008 .767 .957 .0377 |
|
O3 .196 .270 .496 .0342 |
|
O4 .162 .763 .610 .0360 |
|
O5 .868 .271 .451 .0316 |
|
O6 .895 .756 .536 .0361 |
|
O7 .018 .086 .681 .0370 |
|
O8 .041 .974 .302 .0648 |
|
O9 .847 .984 .174 .0101 |
|
OH10 .194 .053 .924 .0329 |
|
OH11 .812 .065 .787 .0403 |
|
Wat12 .802 .485 .832 .0536 |
|
Wat13 .190 .482 .938 .0160 |
|
Wat14 .061 .525 .296 .0204 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Loparite-(Ce) |
|
Mitchell R H, Burns P C, Chakhmouradian A R |
|
The Canadian Mineralogist 38 (2000) 145-152 |
|
The crystal structures of loparite-(Ce) |
|
Sample: Loparite K |
|
Locality: Khibina complex, Russia |
|
_database_code_amcsd 0005639 |
|
5.5108 5.5084 7.7964 90 90 90 Pbnm |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Na -.0034 .5003 .25 .54 .0179 |
|
La -.0034 .5003 .25 .09 .0179 |
|
Ce -.0034 .5003 .25 .17 .0179 |
|
Pr -.0034 .5003 .25 .01 .0179 |
|
Nd -.0034 .5003 .25 .03 .0179 |
|
Ca -.0034 .5003 .25 .09 .0179 |
|
Sr -.0034 .5003 .25 .04 .0179 |
|
Ti 0 0 0 .76 .0117 .0097 .0142 .0112 .0019 0 -.0013 |
|
Nb 0 0 0 .23 .0117 .0097 .0142 .0112 .0019 0 -.0013 |
|
Ta 0 0 0 .01 .0117 .0097 .0142 .0112 .0019 0 -.0013 |
|
O1 .0508 -.0016 .25 .0344 .0242 .0622 .0166 -.0033 0 0 |
|
O2 .2428 .2510 -.0181 .0597 .0610 .0530 .0652 -.0435 -.0049 .0149 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Loparite-(Ce) |
|
Mitchell R H, Burns P C, Chakhmouradian A R |
|
The Canadian Mineralogist 38 (2000) 145-152 |
|
The crystal structures of loparite-(Ce) |
|
Sample: Loparite L |
|
Locality: Lovozero complex, Russia |
|
_database_code_amcsd 0005640 |
|
5.5022 5.5084 7.7767 90 90 90 I4/mcm |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Na 0 .5 .25 .46 .0197 .0196 .0196 .0200 0 0 0 |
|
La 0 .5 .25 .09 .0197 .0196 .0196 .0200 0 0 0 |
|
Ce 0 .5 .25 .18 .0197 .0196 .0196 .0200 0 0 0 |
|
Pr 0 .5 .25 .02 .0197 .0196 .0196 .0200 0 0 0 |
|
Nd 0 .5 .25 .05 .0197 .0196 .0196 .0200 0 0 0 |
|
Ca 0 .5 .25 .13 .0197 .0196 .0196 .0200 0 0 0 |
|
Sr 0 .5 .25 .05 .0197 .0196 .0196 .0200 0 0 0 |
|
Ti 0 0 0 .87 .0122 .0127 .0127 .0113 0 0 0 |
|
Nb 0 0 0 .13 .0122 .0127 .0127 .0113 0 0 0 |
|
O1 0 0 .25 .0641 .0856 .0856 .0210 0 0 0 |
|
O2 .2828 .7828 0 .0438 .0261 .0261 .0792 .0053 0 0 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Loparite-(Ce) |
|
Mitchell R H, Burns P C, Chakhmouradian A R |
|
The Canadian Mineralogist 38 (2000) 145-152 |
|
The crystal structures of loparite-(Ce) |
|
Sample: Loparite BM |
|
Locality: Bearpaw Mountains, Montana, USA |
|
_database_code_amcsd 0005641 |
|
5.5076 5.5076 7.7767 90 90 90 I4/mcm |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Na 0 .5 .25 .31 .0136 .0146 .0146 .0114 0 0 0 |
|
La 0 .5 .25 .10 .0136 .0146 .0146 .0114 0 0 0 |
|
Ce 0 .5 .25 .15 .0136 .0146 .0146 .0114 0 0 0 |
|
Nd 0 .5 .25 .03 .0136 .0146 .0146 .0114 0 0 0 |
|
Ca 0 .5 .25 .07 .0136 .0146 .0146 .0114 0 0 0 |
|
Sr 0 .5 .25 .30 .0136 .0146 .0146 .0114 0 0 0 |
|
Th 0 .5 .25 .01 .0136 .0146 .0146 .0114 0 0 0 |
|
Ti 0 0 0 .94 .0073 .0075 .0075 .0067 0 0 0 |
|
Nb 0 0 0 .05 .0073 .0075 .0075 .0067 0 0 0 |
|
O1 0 0 .25 .0404 .0554 .0554 .0106 0 0 0 |
|
O2 .2684 .7684 0 .0273 .0169 .0169 .0480 .0019 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Bijvoetite-(Y) |
|
Li Y, Burns P C, Gault R A |
|
The Canadian Mineralogist 38 (2000) 153-162 |
|
A new rare-earth-element uranyl carbonate sheet in the structure of bijvoetite-(Y) |
|
_database_code_amcsd 0005642 |
|
21.234 12.958 44.911 90 90.00 90 B2 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
U1 .3938 .3646 .4320 .0176 .0061 .0306 .0162 -.0068 .0028 .0020 |
|
U2 .0549 .4264 .4726 .0207 .0211 .0281 .0129 -.0049 -.0066 .0044 |
|
U3 .5551 .3387 .4728 .0228 .0084 .0467 .0132 -.0015 -.0007 -.0021 |
|
U4 .0540 .4134 .3899 .0193 .0151 .0262 .0165 -.0051 -.0047 .0055 |
|
U5 .2158 .4179 .4306 .0178 .0124 .0251 .0160 -.0036 -.0027 .0035 |
|
U6 .7162 .3480 .4310 .0171 .0140 .0207 .0164 -.0023 -.0036 .0034 |
|
U7 .3045 .4134 .6398 .0233 .0141 .0427 .0123 .0009 -.0034 -.0028 |
|
U8 .1432 .4022 .6821 .0211 .0149 .0353 .0129 -.0022 -.0043 -.0031 |
|
U9 -.1050 .4018 .4318 .0165 .0107 .0240 .0148 -.0050 -.0005 -.0027 |
|
U10 .4666 .4179 .6809 .0185 .0118 .0313 .0124 .0019 .0035 -.0016 |
|
U11 .5541 .3508 .3897 .0179 .0082 .0331 .0124 -.0021 .0057 -.0004 |
|
U12 -.0338 .3493 .6814 .0232 .0100 .0469 .0128 .0007 .0010 .0041 |
|
U13 .3047 .4271 .7226 .0212 .0099 .0450 .0087 -.0010 .0017 -.0082 |
|
U14 -.1960 .3520 .6400 .0227 .0093 .0479 .0111 -.0027 .0040 .0017 |
|
U15 .6445 .3651 .6822 .0180 .0091 .0337 .0112 .0020 .0013 -.0033 |
|
U16 -.1948 .3384 .7228 .0228 .0064 .0537 .0082 -.0011 .0059 -.0006 |
|
Y1 .5587 .3224 .5647 .66 .0104 |
|
Ce1 .5587 .3224 .5647 .014 .0104 |
|
Nd1 .5587 .3224 .5647 .078 .0104 |
|
Sm1 .5587 .3224 .5647 .061 .0104 |
|
Eu1 .5587 .3224 .5647 .017 .0104 |
|
Gd1 .5587 .3224 .5647 .061 .0104 |
|
Tb1 .5587 .3224 .5647 .010 .0104 |
|
Dy1 .5587 .3224 .5647 .071 .0104 |
|
Er1 .5587 .3224 .5647 .020 .0104 |
|
Y2 .0592 .4357 .5644 .40 .0220 |
|
Ce2 .0592 .4357 .5644 .024 .0220 |
|
Nd2 .0592 .4357 .5644 .038 .0220 |
|
Sm2 .0592 .4357 .5644 .108 .0220 |
|
Eu2 .0592 .4357 .5644 .030 .0220 |
|
Gd2 .0592 .4357 .5644 .108 .0220 |
|
Tb2 .0592 .4357 .5644 .018 .0220 |
|
Dy2 .0592 .4357 .5644 .126 .0220 |
|
Er2 .0592 .4357 .5644 .036 .0220 |
|
Y3 .3097 .4255 .8141 .60 .0152 |
|
Ce3 .3097 .4255 .8141 .016 .0152 |
|
Nd3 .3097 .4255 .8141 .092 .0152 |
|
Sm3 .3097 .4255 .8141 .072 .0152 |
|
Eu3 .3097 .4255 .8141 .020 .0152 |
|
Gd3 .3097 .4255 .8141 .072 .0152 |
|
Tb3 .3097 .4255 .8141 .012 .0152 |
|
Dy3 .3097 .4255 .8141 .084 .0152 |
|
Er3 .3097 .4255 .8141 .024 .0152 |
|
Y4 .5520 .4535 .3013 .50 .0186 |
|
Ce4 .5520 .4535 .3013 .020 .0186 |
|
Nd4 .5520 .4535 .3013 .115 .0186 |
|
Sm4 .5520 .4535 .3013 .090 .0186 |
|
Eu4 .5520 .4535 .3013 .025 .0186 |
|
Gd4 .5520 .4535 .3013 .090 .0186 |
|
Tb4 .5520 .4535 .3013 .015 .0186 |
|
Dy4 .5520 .4535 .3013 .105 .0186 |
|
Er4 .5520 .4535 .3013 .030 .0186 |
|
Y5 .3087 .3198 .3147 .55 .0134 |
|
Ce5 .3087 .3198 .3147 .018 .0134 |
|
Nd5 .3087 .3198 .3147 .104 .0134 |
|
Sm5 .3087 .3198 .3147 .081 .0134 |
|
Eu5 .3087 .3198 .3147 .022 .0134 |
|
Gd5 .3087 .3198 .3147 .081 .0134 |
|
Tb5 .3087 .3198 .3147 .014 .0134 |
|
Dy5 .3087 .3198 .3147 .094 .0134 |
|
Er5 .3087 .3198 .3147 .027 .0134 |
|
Y6 -.1977 .4401 .5509 .51 .0172 |
|
Ce6 -.1977 .4401 .5509 .020 .0172 |
|
Nd6 -.1977 .4401 .5509 .113 .0172 |
|
Sm6 -.1977 .4401 .5509 .088 .0172 |
|
Eu6 -.1977 .4401 .5509 .024 .0172 |
|
Gd6 -.1977 .4401 .5509 .088 .0172 |
|
Tb6 -.1977 .4401 .5509 .014 .0172 |
|
Dy6 -.1977 .4401 .5509 .094 .0172 |
|
Er6 -.1977 .4401 .5509 .030 .0172 |
|
Y7 .0529 .3322 .3005 .45 .0181 |
|
Ce7 .0529 .3322 .3005 .022 .0181 |
|
Nd7 .0529 .3322 .3005 .126 .0181 |
|
Sm7 .0529 .3322 .3005 .099 .0181 |
|
Eu7 .0529 .3322 .3005 .028 .0181 |
|
Gd7 .0529 .3322 .3005 .099 .0181 |
|
Tb7 .0529 .3322 .3005 .016 .0181 |
|
Dy7 .0529 .3322 .3005 .116 .0181 |
|
Er7 .0529 .3322 .3005 .033 .0181 |
|
Y8 .3020 .3204 .5510 .55 .0147 |
|
Ce8 .3020 .3204 .5510 .018 .0147 |
|
Nd8 .3020 .3204 .5510 .101 .0147 |
|
Sm8 .3020 .3204 .5510 .079 .0147 |
|
Eu8 .3020 .3204 .5510 .022 .0147 |
|
Gd8 .3020 .3204 .5510 .079 .0147 |
|
Tb8 .3020 .3204 .5510 .013 .0147 |
|
Dy8 .3020 .3204 .5510 .092 .0147 |
|
Er8 .3020 .3204 .5510 .026 .0147 |
|
O1 .450 .282 .6829 .0097 |
|
O2 .2172 .280 .4354 .0097 |
|
O3 .713 .486 .4272 .0097 |
|
O4 -.046 .486 .680 .0097 |
|
O5 .675 .4921 .6761 .0097 |
|
O6 .411 .500 .4316 .0097 |
|
O7 -.1012 .264 .4322 .0097 |
|
O8 .167 .271 .6877 .0097 |
|
O9 .053 .289 .4650 .0097 |
|
O10 .323 .290 .7207 .0097 |
|
O11 -.124 .539 .4305 .0097 |
|
O12 .123 .539 .681 .0097 |
|
O13 -.196 .478 .7254 .0097 |
|
O14 .553 .478 .4686 .0097 |
|
O15 .570 .484 .4003 .0097 |
|
O16 .619 .233 .6873 .0097 |
|
O17 -.198 .490 .6472 .0097 |
|
O18 .300 .278 .6500 .0097 |
|
O19 .355 .241 .4278 .0097 |
|
O20 .053 .275 .395 .0097 |
|
O21 -.015 .214 .6869 .0097 |
|
O22 .726 .210 .4286 .0097 |
|
O23 .482 .556 .682 .0097 |
|
O24 .234 .552 .4242 .0097 |
|
O25 -.198 .218 .6284 .0097 |
|
O26 .564 .217 .3783 .0097 |
|
O27 .067 .522 .5013 .0097 |
|
O28 .308 .566 .7296 .0097 |
|
O29 .049 .548 .3794 .0097 |
|
O30 .300 .546 .6266 .0097 |
|
O31 .550 .199 .4751 .0097 |
|
O32 -.193 .199 .728 .0097 |
|
O33 -.079 .422 .2311 .0097 |
|
O34 .174 .440 .4793 .0097 |
|
O35 -.328 .366 .4811 .0097 |
|
O36 .429 .334 .2312 .0097 |
|
O37 .187 .408 .7332 .0097 |
|
O38 -.058 .431 .4812 .0097 |
|
O39 -.1344 .402 .2714 .0097 |
|
O40 .1143 .423 .5187 .0097 |
|
O41 -.3824 .376 .5209 .0097 |
|
O42 .3676 .379 .2693 .0097 |
|
O43 .189 .421 .6310 .0097 |
|
O44 .188 .347 .2319 .0097 |
|
O45 .428 .373 .4836 .0097 |
|
O46 .1318 .372 .5932 .0097 |
|
O47 -.1067 .348 .3382 .0097 |
|
O48 .175 .436 .3789 .0097 |
|
O49 -.000 .428 .4295 .0097 |
|
O50 .3914 .429 .3372 .0097 |
|
O51 .242 .456 .682 .0097 |
|
O52 .668 .365 .3820 .0097 |
|
O53 .469 .412 .2722 .0097 |
|
O54 -.2810 .387 .5254 .0097 |
|
O55 .1392 .386 .7769 .0097 |
|
O56 -.1127 .413 .5205 .0097 |
|
O57 -.0044 .411 .5225 .0097 |
|
O58 .2435 .418 .7724 .0097 |
|
O59 .367 .432 .6827 .0097 |
|
O60 -.0044 .379 .3457 .0097 |
|
O61 -.256 .315 .680 .0097 |
|
O62 .495 .336 .433 .0097 |
|
O63 .613 .324 .433 .0097 |
|
O64 -.134 .325 .680 .0097 |
|
O65 .7166 .423 .3382 .0097 |
|
O66 .4990 .348 .5213 .0097 |
|
O67 .2433 .388 .2734 .0097 |
|
O68 .3716 .359 .5909 .0097 |
|
O69 .3936 .368 .5277 .0097 |
|
O70 .2170 .412 .5245 .0097 |
|
O71 .1476 .353 .2795 .0097 |
|
O72 .2441 .377 .5939 .0097 |
|
O73 -.0284 .393 .2737 .0097 |
|
O74 .1127 .361 .3464 .0097 |
|
O75 .6154 .401 .3436 .0097 |
|
O76 .2158 .354 .3383 .0097 |
|
O77 .439 .388 .3819 .0097 |
|
O78 .4957 .421 .3438 .0097 |
|
O79 .117 .475 .4292 .0097 |
|
O80 -.071 .405 .3825 .0097 |
|
O81 .4713 .391 .5916 .0097 |
|
O82 .423 .409 .6320 .0097 |
|
O83 .689 .353 .6311 .0097 |
|
O84 -.080 .338 .6298 .0097 |
|
O85 .7442 .394 .5945 .0097 |
|
O86 -.1354 .381 .5932 .0097 |
|
O87 .6381 .407 .5879 .0097 |
|
O88 -.0271 .414 .5927 .0097 |
|
OH1 .557 .408 .6506 .0097 |
|
OH2 .310 .410 .4003 .0097 |
|
OH3 .046 .370 .652 .0097 |
|
OH4 .802 .369 .4633 .0097 |
|
OH5 .061 .343 .7122 .0097 |
|
OH6 .806 .386 .400 .0097 |
|
OH7 .552 .384 .713 .0097 |
|
OH8 .303 .395 .463 .0097 |
|
Wat1 .313 .230 .3611 .0011 |
|
Wat2 .545 .520 .5612 .0011 |
|
Wat3 .289 .243 .8138 .0011 |
|
Wat4 .043 .261 .5648 .0011 |
|
Wat5 .307 .501 .5511 .0011 |
|
Wat6 .643 .196 .5547 .0011 |
|
Wat7 .133 .587 .5633 .0011 |
|
Wat8 .392 .545 .8109 .0011 |
|
Wat9 .410 .200 .3176 .0011 |
|
Wat10 -.204 .530 .5014 .0011 |
|
Wat11 .548 .566 .2540 .0011 |
|
Wat12 .299 .213 .5056 .0011 |
|
Wat13 .230 .189 .5648 .0011 |
|
Wat14 -.269 .589 .5580 .0011 |
|
Wat15 .466 .562 .3065 .0011 |
|
Wat16 .620 .605 .3118 .0011 |
|
Wat17 .118 .184 .3123 .0011 |
|
Wat18 .357 .171 .5672 .0011 |
|
Wat19 .057 .515 .3029 .0011 |
|
Wat20 .254 .602 .8001 .0011 |
|
Wat21 -.009 .609 .5608 .0011 |
|
Wat22 .266 .157 .2990 .0011 |
|
Wat23 .507 .180 .5600 .0011 |
|
Wat24 .436 .757 .6979 .0011 |
|
Wat25 .563 .231 .6114 .0011 |
|
Wat26 .076 .145 .6263 .0011 |
|
Wat27 .833 .174 .3682 .0011 |
|
Wat28 .574 .064 .4349 .0011 |
|
Wat29 -.310 .095 .6299 .0011 |
|
Wat30 -.175 .095 .6783 .0011 |
|
Wat31 .577 .595 .6279 .0011 |
|
Wat32 -.081 .184 .5811 .0011 |
|
Wat33 .151 .193 .8242 .0011 |
|
Wat34 .458 .682 .7488 .0011 |
|
Wat35 .178 .657 .5089 .0011 |
|
Wat36 .695 .107 .5111 .0011 |
|
Wat37 .567 .567 .7404 .0011 |
|
Wat38 .351 .150 .7635 .0011 |
|
Wat39 .085 .137 .5086 .0011 |
|
C1 .1696 .416 .5070 .0143 |
|
C2 .1912 .366 .2600 .0143 |
|
C3 .4431 .366 .5113 .0143 |
|
C4 .1874 .389 .6038 .0143 |
|
C5 .1868 .417 .7618 .0143 |
|
C6 -.0794 .414 .2598 .0143 |
|
C7 .6713 .387 .3541 .0143 |
|
C8 .1695 .383 .3545 .0143 |
|
C9 .4395 .421 .3546 .0143 |
|
C10 .4235 .371 .2580 .0143 |
|
C11 -.3291 .396 .5085 .0143 |
|
C12 -.0623 .385 .3546 .0143 |
|
C13 -.0577 .404 .5089 .0143 |
|
C14 .4228 .363 .6065 .0143 |
|
C15 .6868 .386 .6039 .0143 |
|
C16 -.0792 .382 .6040 .0143 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
K5[(UO2)10O8(OH)9](H2O) |
| |
Burns P C, Hill F C |
|
The Canadian Mineralogist 38 (2000) 163-173 |
|
A new uranyl sheet in K5[(UO2)10O8(OH)9](H2O): |
|
New insight into sheet anion-topologies |
|
_database_code_amcsd 0005643 |
|
13.179 20.895 13.431 90 106.316 90 Pn |
|
atom x y z Uiso |
|
U1 .0199 .1582 .4374 .0101 |
|
U2 .0381 .3497 .4560 .0096 |
|
U3 .0171 -.2499 .4503 .0069 |
|
U4 .0321 -.0584 .4410 .0121 |
|
U5 .0161 .0496 .1564 .0108 |
|
U6 .0149 .5472 .4491 .0112 |
|
U7 -.0792 -.0585 -.0899 .0040 |
|
U8 -.0691 .1618 -.0814 .0096 |
|
U9 -.0595 -.2485 -.0687 .0058 |
|
U10 -.0594 .5488 -.0669 .0082 |
|
U11 -.0578 .0484 .6329 .0072 |
|
U12 -.0449 .3508 -.0686 .0051 |
|
U13 .0336 -.3528 .1738 .0162 |
|
U14 .0453 .2366 .1732 .0083 |
|
U15 .0422 .4578 .1754 .0101 |
|
U16 .0273 -.1391 .1651 .0155 |
|
U17 -.0724 -.3514 .6390 .0061 |
|
U18 -.5553 -.2376 .1496 .0122 |
|
U19 -.0474 -.1458 -.3560 .0096 |
|
U20 -.0539 .4562 -.3467 .0110 |
|
K1 .263 -.352 .656 .0288 |
|
K2 .255 .053 -.362 .0150 |
|
K3 .211 .048 -.075 .0034 |
|
K4 .211 .653 -.069 .0119 |
|
K5 .265 .244 .654 .0194 |
|
K6 .210 .240 -.038 .0272 |
|
K7 -.291 -.457 .454 .0260 |
|
K8 .262 -.162 .625 .0161 |
|
K9 -.299 .148 .455 .0265 |
|
K10 .268 .455 .641 .0318 |
|
O1 .146 .152 .534 .0101 |
|
O2 -.113 .160 .347 .0101 |
|
O3 .175 .348 .529 .0101 |
|
O4 -.102 .352 .380 .0101 |
|
O5 -.113 -.237 .360 .0101 |
|
O6 .151 -.265 .533 .0101 |
|
O7 -.100 -.072 .364 .0101 |
|
O8 .169 -.059 .516 .0101 |
|
O9 -.111 .056 .179 .0101 |
|
O10 .145 .040 .137 .0101 |
|
O11 -.107 .525 .356 .0101 |
|
O12 .150 .556 .532 .0101 |
|
O13 .055 -.048 -.093 .0101 |
|
O14 -.218 -.069 -.097 .0101 |
|
O15 .066 .160 -.087 .0101 |
|
O16 -.203 .182 -.079 .0101 |
|
O17 -.186 -.238 -.047 .0101 |
|
O18 .067 -.255 -.096 .0101 |
|
O19 .072 .562 -.081 .0101 |
|
O20 -.202 .531 -.096 .0101 |
|
O21 -.184 .043 .539 .0101 |
|
O22 .071 .044 .727 .0101 |
|
O23 -.160 .349 -.029 .0101 |
|
O24 .068 .348 -.121 .0101 |
|
O25 .169 -.358 .167 .0101 |
|
O26 -.097 -.345 .194 .0101 |
|
O27 .175 .217 .163 .0101 |
|
O28 -.088 .261 .167 .0101 |
|
O29 -.084 .433 .186 .0101 |
|
O30 .180 .464 .174 .0101 |
|
O31 -.104 -.159 .171 .0101 |
|
O32 .164 -.145 .157 .0101 |
|
O33 -.213 -.345 .573 .0101 |
|
O34 .064 -.352 .724 .0101 |
|
O35 -.421 -.238 .236 .0101 |
|
O36 -.692 -.259 .086 .0101 |
|
O37 .082 -.152 -.261 .0101 |
|
O38 -.184 -.136 -.440 .0101 |
|
O39 .073 .474 -.255 .0101 |
|
O40 -.190 .446 -.431 .0101 |
|
O41 -.015 .450 -.002 .0101 |
|
O42 -.024 .151 .092 .0101 |
|
O43 -.011 -.152 -.009 .0101 |
|
O44 -.032 -.047 .079 .0101 |
|
O45 -.028 -.055 -.414 .0101 |
|
O46 -.010 .253 -.004 .0101 |
|
O47 .023 -.149 .506 .0101 |
|
O48 .034 .450 .531 .0101 |
|
O49 -.015 .551 .105 .0101 |
|
O50 -.032 -.353 .483 .0101 |
|
O51 -.064 .550 .564 .0101 |
|
O52 -.060 -.249 .587 .0101 |
|
O53 .023 -.247 .117 .0101 |
|
O54 -.507 -.255 .014 .0101 |
|
O55 -.026 -.340 -.013 .0101 |
|
O56 -.047 .144 .578 .0101 |
|
OH57 .095 -.161 .339 .0100 |
|
OH58 -.112 .052 -.048 .0100 |
|
OH59 .064 .349 .126 .0100 |
|
OH60 -.007 .346 -.364 .0100 |
|
OH61 -.104 .551 -.256 .0100 |
|
OH62 -.117 -.163 -.216 .0100 |
|
OH63 .001 .053 .472 .0100 |
|
OH64 .104 .262 .349 .0100 |
|
OH65 .092 .131 .294 .0100 |
|
OH66 .089 .555 .299 .0100 |
|
OH67 .093 -.306 .322 .0100 |
|
OH68 .080 -.019 .284 .0100 |
|
OH69 .107 .413 .338 .0100 |
|
OH70 -.127 -.307 .762 .0100 |
|
OH71 -.112 .135 -.259 .0100 |
|
OH72 -.121 -.021 .734 .0100 |
|
OH73 -.129 .421 -.217 .0100 |
|
OH74 -.617 -.264 .303 .0100 |
|
Wat75 .229 -.043 -.209 .0100 |
|
Wat76 .221 .350 -.216 .0100 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Curite |
|
Burns P C, Hill F C |
|
The Canadian Mineralogist 38 (2000) 175-181 |
|
Implications of the synthesis and structure of the Sr analogue |
|
of curite |
|
_database_code_amcsd 0005644 |
|
12.3143 12.9609 8.4053 90 90 90 Pnam |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
U1 .21316 .08052 .25 .0150 .0082 .0074 .0018 0 0 |
|
U2 .19875 .06928 .75 .0138 .0064 .0053 .0003 0 0 |
|
U3 .30511 .28911 -.01208 .0117 .0076 .0062 -.0002 -.0008 -.0012 |
|
Sr1 .0544 .3363 .25 .0169 .0157 .0129 -.0050 0 0 |
|
Sr2 .0161 .3649 .75 .0125 .0165 .0124 -.0019 0 0 |
|
O1 .2318 .1266 .004 .0151 |
|
O2 .170 .3445 -.032 .0178 |
|
Wat3 0 1/2 0 .0269 |
|
O4 .059 .7351 -.016 .0175 |
|
O5 .070 .122 .25 .0167 |
|
O6 .259 .254 .25 .0145 |
|
O7 .355 .039 .25 .0203 |
|
O8 .173 .497 .25 .0333 |
|
O9 .196 .713 .25 .0203 |
|
OH10 .150 .911 .25 .0170 |
|
O11 .429 .638 .25 .0137 |
|
OH12 .378 .4418 .079 .0201 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Henrymeyerite |
|
Mitchell R H, Yakovenchuk V N, Chakhmouradian A R, Burns P C, |
|
Pakhomovsky Y A |
|
The Canadian Mineralogist 38 (2000) 617-626 |
|
Henrymeyerite, a new hollandite-type Ba-Fe titanate from the |
|
Kovdor Complex, Russia |
|
Locality: Kovdor Complex, Russia |
|
_database_code_amcsd 0005647 |
|
10.219 10.219 2.963 90 90 90 I4/m |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ba 0 0 .5 .86 .0290 .0290 .0310 0 0 0 |
|
Na 0 0 .5 .09 .0290 .0290 .0310 0 0 0 |
|
K 0 0 .5 .01 .0290 .0290 .0310 0 0 0 |
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La 0 0 .5 .02 .0290 .0290 .0310 0 0 0 |
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Ce 0 0 .5 .02 .0290 .0290 .0310 0 0 0 |
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Ti .34985 .16604 0 .86 .0090 .0121 .0060 .0021 0 0 |
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Fe .34985 .16604 0 .13 .0090 .0121 .0060 .0021 0 0 |
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O1 .1558 .2037 0 .010 .015 .009 .000 0 0 |
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O2 .5390 .1672 0 .010 .013 .013 .000 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
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| |
|
Bandylite |
|
Li Y, Burns P C |
|
The Canadian Mineralogist 38 (2000) 713-715 |
|
Refinement of the structure of bandylite |
|
_database_code_amcsd 0005654 |
|
6.171 6.171 5.587 90 90 90 P4/n |
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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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Cu 0 .5 .6317 .0139 .0086 .0086 .0245 0 0 0 |
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B 0 0 .5 .0166 .0052 .0052 .0396 0 0 0 |
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O .3134 .5540 .6543 .0122 .0078 .0102 .0186 -.0008 -.0026 -.0032 |
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Cl 0 .5 .1427 .0187 .0182 .0182 .0195 0 0 0 |
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H .155 .150 .753 .0200 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Umohoite |
|
Krivovichev S V, Burns P C |
|
The Canadian Mineralogist 38 (2000) 717-726 |
|
Crystal chemistry of uranyl molybdates. 1. The structure and formula |
|
of umohoite |
|
_database_code_amcsd 0005655 |
|
6.3748 7.5287 14.628 82.64 85.95 89.91 P-1 |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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U1 .25592 .80029 .29699 .0088 .0062 .0198 .0003 -.0016 -.0024 |
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U2 .15158 .29981 .29871 .0086 .0066 .0219 .0003 -.0010 -.0026 |
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Mo1 .7073 .0575 .2721 .0065 .0121 .0303 .0006 -.0026 -.0036 |
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Mo2 .7073 .5558 .2724 .0060 .0130 .0335 .0003 -.0026 -.0047 |
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O1 .640 .804 .2892 .015 .007 .036 -.004 .000 -.009 |
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O2 .232 .768 .4200 .028 .013 .031 -.002 -.002 -.001 |
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O3 .993 .590 .2957 .005 .007 .037 .002 -.002 .000 |
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O4 .769 .300 .2970 .010 .006 .045 -.001 -.002 -.004 |
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O5 .117 .268 .4233 .031 .018 .024 -.006 -.002 -.003 |
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O6 .993 .011 .2961 .011 .007 .037 .000 -.002 .001 |
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O7 .412 .090 .2984 .002 .007 .041 .003 .001 -.007 |
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O8 .178 .331 .1758 .028 .020 .031 -.002 .001 -.006 |
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O9 .415 .509 .2993 .003 .013 .043 -.005 -.003 -.004 |
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O10 .280 .828 .1744 .029 .025 .018 -.001 .001 -.007 |
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O11 .724 .093 .1546 .022 .035 .032 .002 .002 -.001 |
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O12 .724 .577 .1556 .023 .046 .024 .008 .000 -.005 |
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Wat13 .687 .527 .4407 .030 .036 .020 .005 .002 .000 |
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Wat14 .686 .996 .4421 .032 .040 .031 -.004 .003 .000 |
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Wat15 .743 .126 -.002 .056 .072 .108 .023 -.018 -.029 |
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Wat16 .753 .624 .003 .045 .050 .150 .011 .000 -.040 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Curite |
|
Li Y, Burns P C |
|
The Canadian Mineralogist 38 (2000) 727-735 |
|
Investigations of crystal-chemical variability in lead uranyl oxide hydrates. I. Curite |
|
Note: sample JVS4338 |
|
Locality: Shinkolobwe, Democratic Republic of Congo |
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_database_code_amcsd 0005656 |
|
12.558 13.024 8.398 90 90 90 Pnam |
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atom x y z occ Uiso |
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U(1) .2097 .0762 .25 .029 |
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U(2) .1962 .0653 .75 .029 |
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U(3) .3020 .2852 -.0130 .029 |
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Pb(1) .0655 .3317 .25 .478 .053 |
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Pb(2) .0173 .3781 .75 .308 .064 |
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O(1) .2284 .1255 .0058 .043 |
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O(2) .1695 .3431 -.0370 .041 |
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Wat(3) 0 .5 0 .068 |
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O(4) .0652 .7301 -.0140 .044 |
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O(5) .0674 .1170 .25 .045 |
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O(6) .2581 .2528 .25 .044 |
|
O(7) .3507 .0356 .25 .052 |
|
O(8) .1781 .4932 .25 .044 |
|
O(9) .2033 .7107 .25 .042 |
|
OH(10) .1509 .9018 .25 .042 |
|
O(11) .4322 .6287 .25 .047 |
|
OH(12) .3746 .4376 .0790 .046 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Curite |
|
Li Y, Burns P C |
|
The Canadian Mineralogist 38 (2000) 727-735 |
|
Investigations of crystal-chemical variability in lead uranyl oxide hydrates. I. Curite |
|
Note: sample JVS4331 |
|
Locality: Swaambo,Democratic Republic of Congo |
|
_database_code_amcsd 0005657 |
|
12.554 13.019 8.391 90 90 90 Pnam |
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atom x y z occ Uiso |
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U(1) .2097 .0762 .25 .011 |
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U(2) .1962 .0652 .75 .009 |
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U(3) .3021 .2852 -.0131 .009 |
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Pb(1) .0654 .3315 .25 .468 .030 |
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Pb(2) .0177 .3779 .75 .311 .043 |
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O(1) .2286 .1245 .0047 .014 |
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O(2) .1681 .3402 -.0350 .019 |
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Wat(3) 0 .5 0 .033 |
|
O(4) .0642 .7289 -.0150 .017 |
|
O(5) .0660 .1160 .25 .018 |
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O(6) .2577 .2550 .25 .015 |
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O(7) .3500 .0360 .25 .026 |
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O(8) .1800 .4920 .25 .023 |
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O(9) .2040 .7090 .25 .025 |
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OH(10) .1532 .9030 .25 .015 |
|
O(11) .4330 .6320 .25 .015 |
|
OH(12) .3747 .4366 .0800 .020 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Curite |
|
Li Y, Burns P C |
|
The Canadian Mineralogist 38 (2000) 727-735 |
|
Investigations of crystal-chemical variability in lead uranyl oxide hydrates. I. Curite |
|
Note: sample JVS901 |
|
Locality: Shinkolobwe, Democratic Republic of Congo |
|
_database_code_amcsd 0005658 |
|
12.540 13.017 8.395 90 90 90 Pnam |
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atom x y z occ Uiso |
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U(1) .2098 .0761 .25 .020 |
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U(2) .1962 .0651 .75 .017 |
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U(3) .3021 .2851 -.0133 .017 |
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Pb(1) .0656 .3317 .25 .470 .039 |
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Pb(2) .0178 .3778 .75 .298 .047 |
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O(1) .2287 .1251 .0057 .026 |
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O(2) .1680 .3428 -.0358 .024 |
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Wat(3) 0 .5 0 .051 |
|
O(4) .0642 .7297 -.0140 .027 |
|
O(5) .0666 .1175 .25 .028 |
|
O(6) .2584 .2521 .25 .029 |
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O(7) .3519 .0361 .25 .032 |
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O(8) .1753 .4936 .25 .028 |
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O(9) .2046 .7096 .25 .027 |
|
OH(10) .1522 .9013 .25 .027 |
|
O(11) .4324 .6301 .25 .028 |
|
OH(12) .3761 .4369 .0810 .031 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Curite |
|
Li Y, Burns P C |
|
The Canadian Mineralogist 38 (2000) 727-735 |
|
Investigations of crystal-chemical variability in lead uranyl oxide hydrates. I. Curite |
|
Note: sample JVS4331(b) |
|
Locality: Swaambo, Democratic Republic of Congo |
|
_database_code_amcsd 0005659 |
|
12.562 13.018 8.392 90 90 90 Pnam |
|
atom x y z occ Uiso |
|
U(1) .2093 .0761 .25 .027 |
|
U(2) .1963 .0652 .75 .025 |
|
U(3) .3019 .2851 -.0127 .024 |
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Pb(1) .0655 .3316 .25 .471 .048 |
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Pb(2) .0176 .3772 .75 .309 .062 |
|
O(1) .2282 .1238 .0050 .033 |
|
O(2) .1691 .3426 -.0340 .030 |
|
Wat(3) 0 .5 0 .061 |
|
O(4) .0664 .7311 -.0170 .036 |
|
O(5) .0654 .1176 .25 .028 |
|
O(6) .2560 .2530 .25 .031 |
|
O(7) .3490 .0360 .25 .032 |
|
O(8) .1770 .4930 .25 .036 |
|
O(9) .2020 .7090 .25 .038 |
|
OH(10) .1540 .9060 .25 .037 |
|
O(11) .4310 .6283 .25 .031 |
|
OH(12) .3731 .4369 .0830 .035 |
|
|
| 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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