|
Whitmoreite |
 |
Moore P B, Kampf A R, Irving A J |
 |
American Mineralogist 59 (1974) 900-905 |
|
Whitmoreite, FeFe2(OH)2(H2O)4[PO4]2, a new species: Its description and atomic |
|
arrangement |
|
_database_code_amcsd 0000411 |
|
10.00 9.73 5.471 90 93.8 90 P2_1/c |
|
atom x y z occ Biso |
|
Fe1 0 0 0 .59 1.9 |
|
Mn1 0 0 0 .27 1.9 |
|
Fe2 .4603 .1373 .341 2.7 |
|
P .3027 .4256 .325 .7 |
|
O1 .393 .477 .124 1.6 |
|
O2 .359 .481 .579 2.1 |
|
O3 .158 .482 .275 2.5 |
|
O4 .304 .262 .317 2.9 |
|
OH .556 .235 .076 1.6 |
|
Wat1 .134 -.102 .298 3.1 |
|
Wat2 .047 .183 .188 3.3 |
|
|
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|
|   |
|
Foggite |
 |
Moore P B, Kampf A R, Araki T |
 |
American Mineralogist 60 (1975) 965-971 |
|
Foggite, Ca(H2O)2[CaAl2(OH)4(PO4)2]: Its atomic arrangement and |
|
relationship to calcium Tschermak's pyroxene |
|
_database_code_amcsd 0000473 |
|
9.270 21.324 5.190 90 90 90 A2_122 |
|
atom x y z occ Biso |
|
Ca1 0 .3614 0 .66 |
|
Ca2 .25 .5 .0870 1.35 |
|
Al1 0 .1945 0 .52 |
|
Al2 0 .2622 .5 .49 |
|
P .2143 .3833 .5702 .48 |
|
O1 .3756 .3680 .6243 .71 |
|
O2 .1255 .3233 .6339 .68 |
|
O3 .1653 .4324 .7659 .76 |
|
O4 .1881 .4040 .2922 .87 |
|
OH1 .1067 .2015 .6844 .62 |
|
OH2 -.0995 .2608 .8205 .57 |
|
Wat1 .5 .4512 0 3.34 |
|
Wat2 .4780 .4741 .2165 .5 1.26 |
|
Wat3 .4617 .4793 .3513 .5 .93 |
|
|
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|
|   |
|
Olmsteadite |
 |
Moore P B, Araki T, Kampf A R, Steele I M |
 |
American Mineralogist 61 (1976) 5-11 |
|
Olmstaedite, K2Fe2[Fe2(Nb,Ta)2O4(H2O)4(PO4)4], a new species, its crystal |
|
structure and relation to vauxite and montgomeryite |
|
_database_code_amcsd 0000485 |
|
7.512 10.000 6.492 90 90 90 Pb2_1m |
|
atom x y z occ Biso |
|
Nb .27254 .73837 0 .59 .44 |
|
Ta .27254 .73837 0 .41 .44 |
|
Fe .02061 0 .24183 .77 |
|
K .53021 .97416 .5 2.56 |
|
P1 .1832 .7412 .5 .61 |
|
P2 .3253 .4149 0 .55 |
|
O1 .0823 .8729 .5 .87 |
|
O2 .0631 .6192 .5 1.79 |
|
O3 .3059 .7376 .3090 1.23 |
|
O4 .4180 .5547 0 .87 |
|
O5 .4723 .3067 0 1.04 |
|
O6 .2138 .3978 .1976 .91 |
|
O7 .1575 .8999 0 1.16 |
|
O8 .0735 .6317 0 1.34 |
|
Wat .2524 .1117 .2720 2.52 |
|
|
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|
|   |
|
Bermanite |
 |
Kampf A R, Moore P B |
 |
American Mineralogist 61 (1976) 1241-1248 |
|
The crystal structure of bermanite, a hydrated manganese phosphate |
|
_database_code_amcsd 0000544 |
|
5.446 19.250 5.428 90 110.3 90 P2_1 |
|
atom x y z Biso |
|
Mn1 .4250 0 .2368 .53 |
|
Mn2 .9207 .0013 .7361 .55 |
|
Mn3 .5386 .2509 .5082 1.58 |
|
P1 .4450 .0958 .7116 .53 |
|
P2 .3951 .9046 .7603 .44 |
|
O1 .327 .0749 .415 .90 |
|
O2 .514 .9255 .057 .60 |
|
O3 .292 .0605 .870 .70 |
|
O4 .549 .9398 .605 .70 |
|
O5 .739 .0734 .829 .80 |
|
O6 .101 .9260 .644 .60 |
|
O7 .409 .1742 .726 .90 |
|
O8 .597 .3254 .257 .90 |
|
OH1 .786 .0344 .377 .80 |
|
OH2 .059 .9713 .101 .50 |
|
Wat1 .838 .1863 .443 1.70 |
|
Wat2 .241 .3156 .599 1.60 |
|
Wat3 .255 .2042 .133 1.40 |
|
Wat4 .821 .2909 .877 1.80 |
|
|
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|
|   |
|
Melonjosephite |
 |
Kampf A R, Moore P B |
 |
American Mineralogist 62 (1977) 60-66 |
|
Melonjosephite, calcium iron hydroxy phosphate: its crystal structure |
|
_database_code_amcsd 0000555 |
|
9.542 10.834 6.374 90 90 90 Pbam |
|
atom x y z Biso |
|
Fe1 0 0 .2670 .66 |
|
Fe2 .3434 .0553 .5 .58 |
|
Ca .4259 .2324 0 .96 |
|
P1 .0921 .2441 .5 .44 |
|
P2 .2081 .4779 0 .48 |
|
O1 .0285 .1826 .3028 .57 |
|
O2 .2511 .2307 .5 .86 |
|
O3 .0502 .3817 .5 .75 |
|
O4 .3730 .4691 0 .90 |
|
O5 .3392 .0566 .1866 .74 |
|
O6 .1563 .3466 0 .98 |
|
Oh .3474 .4725 .5 .78 |
|
H .32 .40 .5 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Schoonerite |
 |
Kampf A R |
 |
American Mineralogist 62 (1977) 250-255 |
|
Schoonerite: its atomic arrangement |
|
_database_code_amcsd 0000562 |
|
11.119 25.546 6.437 90 90 90 Pmab |
|
atom x y z Biso |
|
Zn .25 .1034 .8538 1.80 |
|
Mn .25 .4149 .2255 1.41 |
|
Fe1 0 .25 .0879 1.08 |
|
Fe2 0 .25 .5770 1.57 |
|
Fe3 .25 .1871 .3272 .67 |
|
P1 .0303 .1199 .1427 .69 |
|
P2 .25 .2169 .8248 .53 |
|
O1 .024 .3282 .060 1.40 |
|
O2 .067 .4153 .228 1.10 |
|
O3 .091 .0917 .957 1.60 |
|
O4 .122 .1320 .320 1.20 |
|
O5 .25 .1820 .022 .60 |
|
O6 .25 .1788 .636 .70 |
|
O7 .136 .2505 .825 1.20 |
|
OH .124 .2430 .329 1.50 |
|
Wat1 .260 .3329 .618 1.10 |
|
Wat2 .25 .3451 .437 1.10 |
|
Wat3 .25 .3623 .952 2.00 |
|
Wat4 .25 .4614 .517 1.40 |
|
Wat5 .25 .4882 .038 2.00 |
|
Wat6 .25 .0659 .584 2.90 |
|
Wat7 .054 .4815 .763 2.00 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Minyulite |
 |
Kampf A R |
 |
American Mineralogist 62 (1977) 256-262 |
|
Minyulite: its atomic arrangement |
|
_database_code_amcsd 0000563 |
|
9.337 9.740 5.522 90 90 90 Pba2 |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
K 0 0 0 .0031 .0049 .0172 -.00070 0 0 |
|
Al .3591 .1105 .9545 .0016 .0016 .0055 .00010 -.00030 -.00010 |
|
P .1470 .3243 .2040 .0016 .0016 .0047 .00230 .00060 .00060 |
|
O1 .4832 .1789 .1798 .0016 .0029 .0070 -.00010 .00010 -.00060 |
|
O2 .2075 .4658 .1382 .0020 .0018 .0119 .00010 -.00090 .00070 |
|
O3 .2075 .2168 .0310 .0023 .0023 .0089 .00070 .00000 -.00130 |
|
O4 .1850 .2918 .4675 .0028 .0037 .0070 .00030 -.00040 .00090 |
|
OW1 .2383 .0429 .6793 .0035 .0029 .0071 .00060 .00000 -.00100 |
|
OW2 .4285 .2511 .7202 .0030 .0029 .0079 .00030 .00030 .00050 |
|
F 0 .5 .8217 .0024 .0024 .0060 -.00090 0 0 |
|
H1 .2260 .1100 .5960 |
|
H2 .2340 .4860 .5970 |
|
H3 .3520 .2630 .6060 |
|
H4 .0020 .2810 .6080 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ca(H2O)3(C2O4) |
| |
Deganello S, Kampf A R, Moore P B |
 |
American Mineralogist 66 (1981) 859-865 |
|
The crystal structure of calcium oxalate trihydrate Ca(H2O)3(C2O4) |
|
_database_code_amcsd 0000844 |
|
7.145 8.600 6.099 112.30 108.87 89.92 P-1 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca .2810 .3079 .2161 .0110 .0058 .0127 .0002 .0050 .0026 |
|
C1 -.4015 .0501 .1082 .0124 .0100 .0297 -.0011 .0064 .0025 |
|
C2 .4285 .4439 -.1331 .0105 .0082 .0184 -.0008 .0037 .0038 |
|
O1 -.4113 .1936 .2612 .0138 .0086 .0334 .0001 .0049 -.0044 |
|
O2 .2479 .0225 -.1109 .0119 .0106 .0342 .0010 .0060 -.0010 |
|
O3 .2846 .3558 -.1421 .0205 .0198 .0202 -.0109 .0038 .0061 |
|
O4 .4643 .4484 -.3198 .0153 .0101 .0157 -.0026 .0058 .0042 |
|
Wat1 .1370 .1275 .3608 .0141 .0138 .0187 -.0046 .0008 .0047 |
|
Wat2 .1240 -.4439 .3688 .0120 .0116 .0362 .0012 -.0008 -.0014 |
|
Wat3 .0815 -.2452 .0550 .0206 .0129 .0385 .0004 .0022 .0091 |
|
H1 .014 .434 .646 |
|
H2 .803 .345 .487 |
|
H3 .865 .326 .853 |
|
H4 .989 .101 .313 |
|
H5 .211 .165 .540 |
|
H6 .823 .136 .808 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Gainesite |
 |
Moore P B, Araki T, Steele I M, Swihart G H, Kampf A R |
 |
American Mineralogist 68 (1983) 1022-1028 |
|
Gainesite, sodium zirconium beryllophosphate: A new mineral and its crystal |
|
structure |
|
_database_code_amcsd 0000922 |
|
6.567 6.567 17.119 90 90 90 *I4_1/amd |
|
0 -.25 .125 |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Na1 0 .0352 .0352 .135 0.0198 0.0344 0.0021 0 0 0.0067 |
|
Na2 0 .6654 .0398 .104 0.0144 0.0585 0.0027 0 0 0.0058 |
|
Zr 0 .25 .375 0.0036 0.0036 0.0007 0 0 0 |
|
Be 0 .75 .125 .5 0.0154 0.0154 0.0019 0 0 0 |
|
P 0 .1760 .1742 .5 0.0035 0.0053 0.0007 0 0 -.0002 |
|
O1 0 .25 .2551 0.0107 0.0107 0.0010 0 0 0 |
|
O2 0 .5645 .3781 0.0109 0.0037 0.0012 0 0 -.0003 |
|
O3 0 .5540 .1826 .5 0.0125 0.0057 0.0016 0 0 0.0002 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Miguelromeroite |
| |
Kampf A R, Ross C R |
 |
American Mineralogist 73 (1988) 1172-1178 |
|
End-member villyaellenite from Mapimi, Durango, Mexico: Descriptive mineralogy, |
|
crystal structure, and implications for the ordering of Mn and Ca in type |
|
villyaellenite |
|
Note: refinition of villyaellenite and introduction of miguelromeroite |
|
results in a name change for this structure refinement |
|
Locality: Mapimi, Durango, Mexico |
|
_database_code_amcsd 0001199 |
|
18.015 9.261 9.770 90 96.238 90 C2/c |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mn1 .5 .3943 .75 .97 .0210 .0240 .0062 0 .0011 0 |
|
Mn2 .3150 .0874 .1878 .84 .0220 .0220 .0170 .0014 .0005 .0009 |
|
Zn2 .3150 .0874 .1878 .16 .0220 .0220 .0170 .0014 .0005 .0009 |
|
Mn3 .3257 .4713 .1375 .96 .0218 .0238 .0175 -.0006 .0015 -.0021 |
|
Ca3 .3257 .4713 .1375 .04 .0218 .0238 .0175 -.0006 .0015 -.0021 |
|
As1 .4168 .3157 .4109 .0218 .0236 .0146 .0007 .0005 .0000 |
|
As2 .6611 .2363 .6239 .0198 .0226 .0149 -.0001 .0001 .0004 |
|
O1 .4237 .4360 .2892 .0224 .0270 .0198 .0038 .0001 .0029 |
|
O2 .3389 .2240 .3631 .0297 .0354 .0156 .0003 .0003 -.0022 |
|
O3 .4150 .3915 .5657 .0187 .0418 .0263 .0006 -.0085 .0049 |
|
O4 .6648 .2574 .4528 .0244 .0275 .0073 -.0031 .0028 -.0002 |
|
O5 .7069 .0874 .6788 .0272 .0239 .0193 -.0041 -.0026 .0104 |
|
O6 .7040 .3774 .7046 .0207 .0317 .0266 .0053 .0002 -.0134 |
|
O7 .5707 .2276 .6557 .0097 .0396 .0298 .0026 -.0003 -.0085 |
|
OH .4897 .1981 .4226 .0257 .0400 .0294 .0087 -.0043 -.0069 |
|
Wat1 .2416 .4219 .4702 .0245 .0320 .0236 .0005 -.0039 .0032 |
|
Wat2 .5835 .0053 .8397 .0393 .0343 .0296 .0011 .0054 .0055 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Grandreefite |
 |
Kampf A R |
 |
American Mineralogist 76 (1991) 278-282 |
|
Grandreefite, Pb2F2SO4: Crystal structure and relationship to the lanthanide |
|
oxide sulfates, Ln2O2SO4 |
|
_database_code_amcsd 0001350 |
|
8.667 4.4419 14.242 90 107.418 90 A2/a |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Pb .0785 .5089 .1548 0.0024 0.0075 .00052 0.0024 .00062 0.0003 |
|
S .25 .050 0 0.2 |
|
F .127 .967 .247 1.0 |
|
O1 .115 .252 .003 1.1 |
|
O2 .299 .858 .090 1.1 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fransoletite |
 |
Kampf A R |
 |
American Mineralogist 77 (1992) 848-856 |
|
Beryllophosphate chains in the structures of fransoletite, parafransoletite, and |
|
ehrleite and some general comments on beryllophosphate linkages |
|
_database_code_amcsd 0001531 |
|
7.3482 15.0522 7.0685 90 96.519 90 P2_1/a |
|
atom x y z Biso |
|
Ca1 .6365 .1968 .9508 .77 |
|
Ca2 0 0 0 1.24 |
|
Be .6328 .2105 .4481 .6 |
|
P1 .9741 .1514 .6470 .54 |
|
P2 .2903 .1520 .2322 .46 |
|
O1 .9272 .1430 .8506 .9 |
|
Oh2 .0993 .0690 .6114 1.1 |
|
O3 .0905 .2359 .6386 1.0 |
|
O4 .8028 .1486 .4959 .5 |
|
O5 .3451 .1711 .0346 1.0 |
|
O6 .1561 .2284 .2652 1.1 |
|
O7 .1886 .0635 .2436 1.0 |
|
O8 .4558 .1465 .3850 .8 |
|
OW1 .5234 .0631 .7515 1.1 |
|
OW2 .7390 .0625 .1445 1.2 |
|
H .108 .063 .484 3.2 |
|
H1a .425 .088 .710 3.2 |
|
H1b .581 .023 .756 3.2 |
|
H2a .761 .086 .244 3.2 |
|
H2b .718 .997 .121 3.2 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Parafransoletite |
 |
Kampf A R |
 |
American Mineralogist 77 (1992) 848-856 |
|
Beryllophosphate chains in the structures of fransoletite, parafransoletite, and |
|
ehrleite and some general comments on beryllophosphate linkages |
|
_database_code_amcsd 0001532 |
|
7.3275 7.6959 7.0606 94.903 96.820 101.865 P-1 |
|
atom x y z Biso |
|
Ca1 .7103 .3915 .9772 1.00 |
|
Ca2 0 0 0 1.22 |
|
Be .7334 .4197 .4862 .7 |
|
P1 .0430 .3020 .6843 .75 |
|
P2 .3563 .3020 .2675 .76 |
|
O1 .9881 .2891 .8841 1.2 |
|
Oh2 .1335 .1384 .6353 1.3 |
|
O3 .1950 .4733 .6925 1.0 |
|
O4 .8779 .2872 .5286 .8 |
|
O5 .4137 .3307 .0716 1.2 |
|
O6 .2592 .4576 .3170 .9 |
|
O7 .2159 .1234 .2659 1.2 |
|
O8 .5252 .3028 .4202 1.1 |
|
OW1 .5521 .1270 .7520 1.4 |
|
OW2 .7603 .1256 .1473 1.2 |
|
H .133 .129 .518 3.2 |
|
H1a .496 .143 .632 3.2 |
|
H1b .656 .098 .713 3.2 |
|
H2a .817 .183 .253 3.2 |
|
H2b .635 .067 .154 3.2 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Artroeite |
 |
Kampf A R, Foord E E |
 |
American Mineralogist 80 (1995) 179-183 |
|
Artroeite, PbAlF3(OH)2, a new mineral from the Grand Reef mine, Graham County, |
|
Arizona: Description and crystal structure |
|
_database_code_amcsd 0001717 |
|
6.270 6.821 5.057 90.68 107.69 104.46 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) |
|
Pb .30975 .19142 .20352 .00866 .00607 .0140 .00235 .00339 .00156 |
|
Al .8110 .3273 .8364 .0085 .0047 .0100 .0016 .0031 .0012 |
|
F1 .7950 .1378 .5751 .017 .0069 .015 .0030 .009 .0003 |
|
F2 .7407 .4891 .5627 .012 .0081 .011 .0043 .002 .0028 |
|
F3 .5137 .2308 .8113 .009 .0105 .023 .0001 .006 .002 |
|
Oh1 .8629 .5514 .0981 .008 .0073 .013 .0027 .005 .001 |
|
Oh2 .8981 .1432 .0988 .010 .0076 .007 .0030 .003 .0021 |
|
H1 .807 .509 .253 .02 |
|
H2 .862 .122 .255 .02 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Laurelite |
 |
Merlino S, Pasero M, Perchiazzi N, Kampf A R |
 |
American Mineralogist 81 (1996) 1277-1281 |
|
Laurelite: Its crystal structure and relationship to alpha-PbF2 |
|
_database_code_amcsd 0001838 |
|
10.267 10.267 3.9844 90 90 120 P-6 |
|
atom x y z occ Uiso |
|
Pb1 .5845 .6934 .5 .955 .0164 |
|
Pb1' .572 .710 0 .045 .051 |
|
Pb2 .8855 .5984 0 .955 .0162 |
|
Pb2' .853 .568 .5 .045 .002 |
|
Pb3 0 0 .5 .955 .0291 |
|
Pb3' 0 0 0 .045 .04 |
|
Cl1 1/3 2/3 0 .022 |
|
Cl2 2/3 1/3 .5 .022 |
|
F1 .048 .620 .5 .018 |
|
F2 .609 .570 0 .024 |
|
F3 .079 .868 0 .039 |
|
F4 .834 .729 .5 .021 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Laurelite |
 |
Merlino S, Pasero M, Perchiazzi N, Kampf A R |
 |
American Mineralogist 81 (1996) 1277-1281 |
|
Laurelite: Its crystal structure and relationship to alpha-PbF2 |
|
Note: Re-examination of the crystal by H Yang and A Kampf showed that |
|
it was twinned, and the partially occupied sites were relicts. |
|
_database_code_amcsd 0018359 |
|
10.267 10.267 3.9844 90 90 120 P-6 |
|
atom x y z Uiso |
|
Pb1 .5845 .6934 .5 .0164 |
|
Pb2 .8855 .5984 0 .0162 |
|
Pb3 0 0 .5 .0291 |
|
Cl1 1/3 2/3 0 .022 |
|
Cl2 2/3 1/3 .5 .022 |
|
F1 .048 .620 .5 .018 |
|
F2 .609 .570 0 .024 |
|
F3 .079 .868 0 .039 |
|
F4 .834 .729 .5 .021 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Philolithite |
 |
Moore P B, Kampf A R, Sen Gupta P K |
 |
American Mineralogist 85 (2000) 810-816 |
|
The crystal structure of philolithite, a trellis-like open |
|
framework based on cubic closest-packing of anions |
|
_database_code_amcsd 0002461 |
|
12.627 12.627 12.595 90 90 90 *P4_2/nnm |
|
-.25 .25 -.25 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Pb1 .05999 -.05999 .61863 .0141 .0142 .0142 .0139 .0015 -.0003 .0003 |
|
Pb2 .40559 .26285 .59807 .0130 .0141 .0140 .0110 .0004 -.0013 .0013 |
|
Mn1 3/4 .25 3/4 .016 .018 .018 .012 0 0 0 |
|
Mn2 0 0 0 .46 .015 .014 .014 .019 -.008 .003 -.003 |
|
Mg2 0 0 0 .54 .015 .014 .014 .019 -.008 .003 -.003 |
|
Mn3 .1660 -.1660 .9841 .68 .012 .011 .011 .012 -.000 -.001 .001 |
|
Mg3 .1660 -.1660 .9841 .32 . 012 .011 .011 .012 -.000 -.001 .001 |
|
S 3/4 .25 .25 .014 .016 .016 .012 0 0 0 |
|
C .092 -.092 .211 .011 |
|
O1 .682 -.682 .184 .024 |
|
O2 .152 -.152 .160 .027 |
|
O3 .027 -.027 .160 .022 |
|
O4 .092 -.092 .313 .032 |
|
O5 .25 .25 0 .014 |
|
O6 .083 .083 .5 .005 |
|
OH7 .167 -.167 .497 .014 |
|
OH8 .166 .003 .970 .012 |
|
Cl .0968 .25 .25 .023 .025 .032 .012 0 0 -.004 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Pararobertsite |
 |
Kampf A R |
 |
American Mineralogist 85 (2000) 1302-1306 |
|
The crystal structure of pararobertsite and its relationship to mitridatite |
|
_database_code_amcsd 0002513 |
|
8.814 13.233 11.056 90 101.184 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) |
|
Mn1 0 0 0 .0074 .0112 .0055 -.0028 .0019 .0012 |
|
Mn2 0 0 .5 .0108 .0062 .0049 .0013 .0028 .0003 |
|
Mn3 .0130 .1311 .2380 .0086 .0081 .0054 .0003 .0016 .0012 |
|
Mn4 .0140 .2319 .4932 .0069 .0082 .0054 -.0013 .0008 -.0007 |
|
Ca1 .3384 .3707 .5725 .0084 .0137 .0214 -.0003 .0031 -.0008 |
|
Ca2 .6674 .1232 .3595 .0106 .0130 .0123 -.0015 .0002 .0000 |
|
P1 .2968 .1104 .4457 .0103 .0071 .0077 -.0009 .0024 .0015 |
|
P2 .0845 .1189 .7757 .0112 .0085 .0100 -.0002 .0023 -.0015 |
|
P3 .7281 .1407 .0292 .0063 .0090 .0067 -.0010 .0018 -.0007 |
|
O1 .4696 .1112 .4660 .0128 .0183 .0092 .0005 .0007 .0035 |
|
O2 .2361 .2038 .5065 .0062 .0101 .0079 .0022 .0015 -.0017 |
|
O3 .2344 .0125 .4985 .0150 .0041 .0141 -.0038 .0041 .0006 |
|
O4 .2280 .1135 .3039 .0109 .0173 .0058 -.0012 .0000 .0022 |
|
O5 .2558 .1180 .8283 .0104 .0143 .0240 .0010 .0030 -.0018 |
|
O6 .0089 .2162 .8103 .0136 .0114 .0130 .0038 .0077 .0004 |
|
O7 .0349 .1083 .6354 .0146 .0118 .0074 -.0025 .0027 .0012 |
|
O8 .0021 .0302 .8293 .0124 .0070 .0124 .0002 .0031 .0016 |
|
O9 .5574 .1429 .0003 .0091 .0196 .0106 -.0041 .0043 -.0008 |
|
O10 .7949 .2359 .9754 .0076 .0092 .0105 -.0013 .0037 .0029 |
|
O11 .7912 .1399 .1709 .0096 .0134 .0044 .0024 -.0002 -.0017 |
|
O12 .7866 .0429 .9729 .0066 .0158 .0086 -.0038 .0004 -.0071 |
|
O13 .9532 .1111 .3952 .0087 .0056 .0072 .0032 .0026 -.0014 |
|
O14 .0678 .1490 .0797 .0060 .0148 .0078 .0031 -.0004 .0024 |
|
O15 .5175 .0124 .2143 .0220 .0102 .0198 -.0002 .0029 .0049 |
|
O16 .4783 .2372 .2383 .0134 .0172 .0208 .0010 .0013 -.0016 |
|
O17 .6702 .3843 .1964 .0462 .0143 .0217 -.0027 .0172 .0037 |
|
H1 .4311 .9791 .2406 .0005 |
|
H2 .6035 .9367 .1929 .0005 |
|
H3 .5446 .2719 .2463 .0005 |
|
H4 .4150 .2680 .2482 .0005 |
|
H5 .7146 .3309 .1885 .0005 |
|
H6 .6275 .4330 .1204 .0005 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Aravaipaite |
 |
Kampf A R |
 |
American Mineralogist 86 (2001) 927-931 |
|
The crystal structure of aravaipaite |
|
_database_code_amcsd 0002659 |
|
25.048 5.8459 5.6805 90 94.013 90 P2_1/n |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Pb1 .06747 .83423 .69379 .0178 .0126 .0148 -.0001 .0016 .0012 |
|
Pb2 .19124 .82727 .24796 .0179 .0148 .0209 -.0010 .0009 -.0008 |
|
Pb3 .19100 .36170 .72273 .0184 .0139 .0146 -.0018 .0013 -.0004 |
|
Al .0960 .3161 .2001 .012 .011 .008 -.003 .002 .004 |
|
F1 .1124 .149 .943 .014 .041 .023 -.007 .005 -.021 |
|
F2 .1678 .368 .259 .012 .029 .037 -.008 -.005 -.004 |
|
F3 .0261 .271 .141 .011 .053 .015 -.003 -.006 .004 |
|
F4 .0847 .464 .472 .040 .011 .021 -.004 .003 -.008 |
|
F5 .1038 .055 .379 .038 .019 .043 .013 .025 .018 |
|
F6 .0942 .571 .033 .045 .029 .036 .006 .006 .014 |
|
F7 .2542 .580 .497 .003 .014 .020 .004 .002 -.001 |
|
F8 .2514 .577 .997 .017 .012 .016 -.003 -.003 .003 |
|
F9 .1653 .764 .683 .033 .019 .038 -.005 .020 -.008 |
|
O .9925 .778 .344 .023 .023 .018 -.001 .001 .005 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Calcioaravaipaite |
 |
Kampf A R, Merlino S, Pasero M |
 |
American Mineralogist 88 (2003) 430-435 |
|
Order-disorder approach to calcioaravaipaite, [PbCa2Al(F,OH)9]: |
|
The crystal structure of the triclinic MDO polytype |
|
_database_code_amcsd 0002987 |
|
7.722 7.516 12.206 98.86 96.91 90.00 C-1 |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Pb1 .74457 .52709 .10749 .0202 .0207 .0218 .0185 .0001 .0041 .0027 |
|
Ca1 .3925 .6497 .6144 .0120 .0105 .0102 .0160 .0001 .0030 .0028 |
|
Ca2 .8932 .6576 .6137 .0118 .0115 .0082 .0155 -.0009 .0017 .0013 |
|
Al1 .2511 .5453 .1813 .0142 .013 .014 .018 -.0003 .003 .005 |
|
F1 .0673 .5655 .2648 .017 .013 .020 .020 -.004 .006 .004 |
|
F2 .8449 .8984 .2749 .021 .018 .028 .020 .003 .004 .005 |
|
F3 .1484 .6981 .0948 .030 .016 .015 .023 .000 .002 -.006 |
|
F4 .4319 .5265 .1002 .022 .030 .025 .035 .004 -.002 .013 |
|
F5 .6474 .8513 .0930 .027 .013 .009 .014 -.001 .002 -.001 |
|
F6 .3443 .7371 .2768 .019 .016 .010 .015 .002 .004 .000 |
|
F7 .1273 .6210 .4991 .012 .019 .022 .027 .007 .004 .013 |
|
F8 .6201 .6304 .5053 .014 .027 .015 .020 -.003 .004 .003 |
|
F9 .6854 .5714 .2905 .021 .028 .021 .029 -.008 -.004 -.002 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Datolite |
 |
Perchiazzi N, Gualtieri A F, Merlino S, Kampf A R |
 |
American Mineralogist 89 (2004) 767-776 |
|
The atomic structure of bakerite and its relationship to datolite |
|
Sample: #45837, single crystal data |
|
_database_code_amcsd 0003540 |
|
4.850 7.627 9.659 90 90.255 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) |
|
Ca .9916 .1066 .3357 .012 .011 .012 .013 .000 .001 .000 |
|
Si .4692 .2657 .0846 .011 .011 .011 .011 .000 .001 -.001 |
|
B .5692 .4107 .3417 .010 .008 .011 .012 .001 -.001 -.002 |
|
O1 .2430 .4011 .0374 .013 .013 .013 .014 .002 -.001 -.001 |
|
O2 .6707 .3006 .4581 .011 .008 .014 .013 .001 .000 .001 |
|
O3 .6755 .3335 .2107 .012 .010 .014 .012 .000 -.001 -.001 |
|
O4 .3148 .0877 .1462 .011 .010 .010 .015 -.001 .003 .001 |
|
O5 .2587 .4130 .3356 .012 .010 .015 .012 .002 .001 -.002 |
|
H .234 .455 .401 .020 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Bakerite |
 |
Perchiazzi N, Gualtieri A F, Merlino S, Kampf A R |
 |
American Mineralogist 89 (2004) 767-776 |
|
The atomic structure of bakerite and its relationship to datolite |
|
Sample: Refinement of the conventional X-ray data for sample #92735 |
|
_database_code_amcsd 0003541 |
|
4.8014 7.5780 9.5419 90 90.434 90 P2_1/c |
|
atom x y z occ Uiso |
|
Ca .9914 .10838 .33369 .026 |
|
SiT1 .4738 .26347 .08664 .75 .025 |
|
BT1 .4738 .26347 .08664 .25 .025 |
|
BT2 .5629 .41243 .33705 .028 |
|
O1 .2604 .4081 .0389 .75 .020 |
|
OH1 .2604 .4081 .0389 .25 .020 |
|
O2 .6604 .3046 .4559 .027 |
|
O3 .6850 .3265 .2104 .022 |
|
O4 .3226 .0935 .1454 .021 |
|
OH5 .2582 .4115 .3368 .026 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Bakerite |
 |
Perchiazzi N, Gualtieri A F, Merlino S, Kampf A R |
 |
American Mineralogist 89 (2004) 767-776 |
|
The atomic structure of bakerite and its relationship to datolite |
|
Sample: Refinement of the synchrotron data for sample #92735 |
|
_database_code_amcsd 0003542 |
|
4.8005 7.5788 9.5432 90 90.437 90 P2_1/c |
|
atom x y z occ Uiso |
|
Ca .9918 .10663 .33305 .013 |
|
SiT1 .4793 .2630 .0881 .75 .013 |
|
BT1 .4793 .2630 .0881 .25 .013 |
|
BT2 .5593 .4086 .3395 .021 |
|
O1 .2592 .4013 .0346 .75 .011 |
|
OH1 .2592 .4013 .0346 .25 .011 |
|
O2 .6733 .3050 .4598 .011 |
|
O3 .6854 .3267 .2108 .010 |
|
O4 .3135 .0901 .1454 .019 |
|
OH5 .2540 .4066 .3402 .011 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Bakerite |
 |
Perchiazzi N, Gualtieri A F, Merlino S, Kampf A R |
 |
American Mineralogist 89 (2004) 767-776 |
|
The atomic structure of bakerite and its relationship to datolite |
|
Sample: Refinement of the neutron data (RT) for sample #92735 |
|
_database_code_amcsd 0003543 |
|
4.7967 7.5711 9.5321 90 90.427 90 P2_1/c |
|
atom x y z occ Uiso |
|
Ca .9936 .1082 .3315 .0054 |
|
SiT1 .4761 .2578 .0896 .75 .014 |
|
BT1 .4761 .2578 .0896 .25 .014 |
|
BT2 .5684 .4063 .3423 .012 |
|
O1 .2616 .4013 .0375 .015 |
|
O2 .6681 .2999 .4611 .009 |
|
O3 .6775 .3320 .2103 .011 |
|
O4 .3166 .0868 .1445 .008 |
|
O5 .2595 .4087 .3392 .012 |
|
H1 .1995 .4668 .4328 .044 |
|
H2 .3994 .4663 -.0066 .25 .044 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Bakerite |
 |
Perchiazzi N, Gualtieri A F, Merlino S, Kampf A R |
 |
American Mineralogist 89 (2004) 767-776 |
|
The atomic structure of bakerite and its relationship to datolite |
|
Sample: Refinement of the neutron data (LT) for sample #92735 |
|
_database_code_amcsd 0003544 |
|
4.7892 7.5644 9.5362 90 90.476 90 P2_1/c |
|
atom x y z occ Uiso |
|
Ca .9958 .1103 .3326 .012 |
|
SiT1 .4768 .2534 .0857 .75 .008 |
|
BT1 .4768 .2534 .0857 .25 .008 |
|
BT2 .5691 .4074 .3426 .010 |
|
O1 .2614 .4036 .0412 .014 |
|
O2 .6759 .3032 .4632 .014 |
|
O3 .6762 .3259 .2126 .015 |
|
O4 .3146 .0872 .1439 .009 |
|
O5 .2581 .4081 .3397 .008 |
|
H1 .1943 .4595 .4301 .026 |
|
H2 .4142 .4826 .0047 .25 .026 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Bakerite |
 |
Perchiazzi N, Gualtieri A F, Merlino S, Kampf A R |
 |
American Mineralogist 89 (2004) 767-776 |
|
The atomic structure of bakerite and its relationship to datolite |
|
Sample: Combined refinement |
|
_database_code_amcsd 0003545 |
|
4.80042 7.57864 9.5426 90 90.435 90 P2_1/c |
|
atom x y z occ Uiso |
|
Ca .99295 .10749 .33320 .0129 |
|
SiT1 .4754 .26337 .08782 .75 .0114 |
|
BT1 .4754 .26337 .08782 .25 .0114 |
|
BT2 .5623 .41009 .33929 .014 |
|
O1 .2566 .4032 .03594 .011 |
|
O2 .6685 .3032 .45842 .009 |
|
O3 .6854 .3277 .21010 .008 |
|
O4 .3146 .0909 .14570 .012 |
|
O5 .2557 .4065 .33656 .016 |
|
H1 .1877 .4614 .4290 .031 |
|
H2 .4265 .4772 .0387 .25 .031 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Phosphohedyphane |
| |
Kampf A R, Steele I M, Jenkins R A |
| |
American Mineralogist 91 (2006) 1909-1917 |
|
Phosphohedyphane, Ca2Pb3(PO4)3Cl, the phosphate analogue of hedyphane: |
|
Description and crystal structure |
|
Locality: Capitana mine, Copiapo, Atacama Province, Chile |
|
_database_code_amcsd 0004255 |
|
9.857 9.857 7.130 90 90 120 P6_3/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) |
|
Ca1 1/3 2/3 .0068 .919 .014 .014 .014 .015 .007 0 0 |
|
Pb1 1/3 2/3 .0068 .081 .014 .014 .014 .015 .007 0 0 |
|
Pb2 .2574 .0083 .25 .015 .010 .013 .020 .005 0 0 |
|
P .4192 .3868 .25 .907 .010 .008 .007 .014 .004 0 0 |
|
As .4192 .3868 .25 .093 .010 .008 .007 .014 .004 0 0 |
|
O1 .3677 .5099 .25 .016 .015 .012 .025 .010 0 0 |
|
O2 .6029 .4681 .25 .017 .005 .007 .038 .002 0 0 |
|
O3 .3640 .2801 .0761 .026 .037 .025 .025 .022 -.020 -.013 |
|
Cl 0 0 0 .017 .015 .015 .019 .008 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
|
|   |
|
Meurigite-K |
| |
Kampf A R, Pluth J J, Chen Y S |
 |
American Mineralogist 92 (2007) 1518-1524 |
|
The crystal structure of meurigite |
|
Locality: Santa Rita mine, Grant County, New Mexico |
|
_database_code_amcsd 0004452 |
|
29.018 5.1892 19.695 90 106.987 90 C2/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) |
|
K1 .4309 .548 .4743 .264 .096 .087 .150 .041 .052 .001 .009 |
|
K2 .4150 .308 .4687 .198 .061 .076 .069 .031 -.032 .005 .011 |
|
Fe1 .3257 .4157 .6374 .937 .0063 .0070 .0040 .0077 .0006 .0019 -.0001 |
|
Fe2 .3785 .3837 .7894 .938 .0065 .0070 .0043 .0082 -.0003 .0022 .0003 |
|
Fe3 .4504 .1396 .6688 .922 .0058 .0055 .0044 .0071 .0001 .0014 .0000 |
|
Fe4 .2952 .1875 .8794 .929 .0070 .0068 .0055 .0088 -.0008 .0024 .0005 |
|
P1 .3514 .9314 .5494 .927 .0051 .0051 .0037 .0064 -.0004 .0015 -.0011 |
|
P2 .3053 .9043 .7390 .866 .0040 .0045 .0009 .0069 -.0001 .0024 -.0006 |
|
P3 .4459 .8815 .8119 .934 .0058 .0059 .0038 .0076 -.0008 .0019 .0009 |
|
O1 .4041 .9978 .5846 .0141 .008 .017 .016 -.002 .001 -.003 |
|
O2 .3418 .9391 .4688 .0127 .013 .014 .011 -.002 .003 -.001 |
|
O3 .3182 .1243 .5720 .0152 .016 .013 .017 .001 .005 -.006 |
|
O4 .3398 .6584 .5710 .0156 .021 .009 .017 -.002 .006 .004 |
|
O5 .2529 .8770 .6957 .0154 .009 .014 .019 .001 -.001 -.007 |
|
O6 .3117 .9129 .8204 .0146 .021 .007 .018 -.001 .009 .000 |
|
O7 .3269 .1619 .7199 .0118 .015 .008 .012 -.001 .004 .001 |
|
O8 .3347 .6691 .7237 .0105 .012 .009 .011 .001 .004 .001 |
|
O9 .4167 .0966 .8328 .0161 .021 .011 .017 .008 .007 .004 |
|
O10 .4299 .6221 .8344 .0139 .018 .008 .015 -.005 .004 .003 |
|
O11 .4379 .8738 .7312 .0134 .017 .012 .012 -.003 .004 .001 |
|
O12 .5004 .9152 .6473 .0154 .009 .019 .017 .001 .002 -.004 |
|
OH1 .2564 .4681 .6052 .0146 .009 .012 .023 .001 .004 -.005 |
|
OH2 .3991 .3834 .6920 .0110 .011 .008 .013 .001 .002 .001 |
|
OH3 .3444 .4240 .8609 .0110 .013 .007 .014 -.002 .007 .000 |
|
OH4 .5 .3041 .75 .0127 .012 .012 .012 0 .000 0 |
|
Wat1 .2770 .4744 .9450 .0155 .015 .016 .016 .005 .004 -.001 |
|
Wat2 .4636 .4287 .6062 .0251 .037 .016 .019 -.013 .004 .003 |
|
Wat3 .4515 .9870 .4807 .903 .167 .061 .432 .014 -.092 .021 -.030 |
|
Wat4 .5 0 .5 .629 .106 .183 .120 .025 .000 .045 .020 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Jahnsite-(NaFeMg) |
| |
Kampf A R, Steele I M, Loomis T A |
| |
American Mineralogist 93 (2008) 940-945 |
|
Jahnsite-(NaFeMg), a new mineral from the Tip Top mine, Custer County, |
|
South Dakota: Description and crystal structure |
|
Locality: Tip Top mine, Custer County, South Dakota |
|
_database_code_amcsd 0004587 |
|
15.0811 7.1403 9.8299 90 110.445 90 P2/a |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Na 1/4 .9701 0 .0203 .0204 .0136 .0204 0 -.0012 0 |
|
Fe1 1/4 .4713 0 .0083 .0067 .0096 .0088 0 .0031 0 |
|
Mg1 1/2 0 1/2 .0125 .0131 .0116 .0116 -.0004 .0027 -.0024 |
|
Mg2 1/4 .5057 1/2 .0111 .0124 .0120 .0088 0 .0034 0 |
|
Fe2 0 0 0 .0084 .0095 .0062 .0098 -.0000 .0037 -.0006 |
|
Fe3 0 1/2 0 .0085 .0080 .0072 .0104 .0001 .0036 .0007 |
|
P1 .1870 .2677 .1856 .0089 .0082 .0094 .0085 -.0003 .0023 -.0009 |
|
P2 .0800 .7419 .7963 .0093 .0089 .0100 .0091 .0012 .0034 .0007 |
|
O1 .2789 .2510 .1489 .0157 .009 .021 .018 .005 .005 .004 |
|
O2 .2082 .3103 .3435 .0187 .023 .020 .014 .001 .007 -.001 |
|
O3 .1264 .0929 .1411 .0176 .016 .013 .019 -.005 .000 -.001 |
|
O4 .1405 .4378 .0810 .0120 .009 .014 .013 .001 .004 .003 |
|
O5 .1837 .6682 .8599 .0165 .010 .022 .017 .004 .004 .004 |
|
O6 .0574 .7822 .6364 .0149 .020 .013 .011 .001 .005 .003 |
|
O7 .0750 .9217 .8777 .0166 .021 .014 .019 -.002 .012 -.003 |
|
O8 .0126 .5928 .8173 .0133 .013 .012 .015 -.001 .006 .002 |
|
Oh .0274 .7509 .0992 .0140 .017 .010 .017 .001 .008 -.002 |
|
OW1 .2272 .7264 .3420 .0270 .033 .027 .025 .010 .015 .006 |
|
OW2 .4484 .2126 .3482 .0298 .034 .022 .020 -.003 -.006 .003 |
|
OW3 .6269 .9869 .4565 .0285 .024 .026 .039 -.001 .016 -.005 |
|
OW4 .3907 .5152 .5161 .0211 .017 .022 .024 -.002 .007 .006 |
|
HOh .996 .749 .162 .050 |
|
H1a .258 .717 .278 .05 |
|
H1b .167 .748 .293 .050 |
|
H2a .434 .298 .405 .050 |
|
H2b .395 .201 .269 .05 |
|
H3a .618 .046 .371 .05 |
|
H3b .659 .884 .452 .050 |
|
H4a .416 .605 .478 .050 |
|
H4b .425 .491 .606 .050 |
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| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
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|   |
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Ottoite |
| |
Kampf A R, Housley R M, Mills S J, Marty J, Thorne B |
| |
American Mineralogist 95 (2010) 1329-1336 |
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Lead-tellurium oxysalts from Otto Mountain near Baker, California: |
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I. Ottoite, Pb2TeO5, a new mineral with chains of tellurate octahedra |
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Locality: Otto Mountain, Baker, California, USA |
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_database_code_amcsd 0017558 |
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7.5353 5.7142 10.8981 90 91.330 90 I2/a |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Pb .34125 .00490 .33909 .0125 .0089 .0134 .0152 .0010 -.0003 .0012 |
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Te .5 .5 .5 .0063 .0052 .0069 .0069 -.0002 .0008 .0007 |
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O1 .5726 .7973 .4417 .013 .010 .008 .021 -.002 -.002 .010 |
|
O2 .4653 .3854 .3373 .014 .016 .020 .006 -.007 .000 -.003 |
|
O3 .25 .6256 .5 .010 .002 .010 .017 .000 .002 .000 |
|
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| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
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|   |
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Housleyite |
| |
Kampf A R, Marty J, Thorne B |
| |
American Mineralogist 95 (2010) 1337-1342 |
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Lead-tellurium oxysalts from Otto Mountain near Baker, California: |
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II. Housleyite, Pb6CuTe4O18(OH)2, a new mineral with Cu-Te octahedral sheets |
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Locality: Otto Mountain, Baker, California, USA |
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_database_code_amcsd 0017559 |
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7.8552 10.4836 11.0426 90 95.547 90 P2_1/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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Pb1 .34533 .18063 .57768 .0127 .0139 .0141 .0098 .0011 -.0005 .0007 |
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Pb2 .45212 .53120 .66438 .0195 .0243 .0236 .0117 -.0124 .0075 -.0038 |
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Pb3 .97051 .62715 .60367 .0184 .0143 .0239 .0166 -.0046 -.0009 .0046 |
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Cu .5 .5 1 .0099 .0108 .0094 .0092 -.0012 -.0009 -.0006 |
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Te1 .15518 .36603 .80124 .0064 .0069 .0071 .0050 -.0001 -.0003 -.0001 |
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Te2 .79491 .24012 .60876 .0067 .0071 .0075 .0055 -.0002 -.0001 .0002 |
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O1 .9867 .1837 .5294 .011 .011 .014 .011 .000 .006 .003 |
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O2 .3556 .4708 .8464 .009 .006 .012 .009 -.006 -.002 .002 |
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O3 .6314 .1811 .4692 .008 .008 .014 .002 -.004 .001 .001 |
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O4 .9378 .2708 .7623 .009 .006 .011 .008 -.003 -.003 .001 |
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O5 .2719 .2069 .7829 .009 .012 .008 .006 .005 -.002 .002 |
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O6 .1875 .4107 .6398 .015 .020 .019 .005 -.009 .000 .000 |
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O7 .4811 .0130 .6798 .012 .012 .010 .016 -.001 .004 -.001 |
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O8 .8162 .4033 .5396 .016 .020 .011 .016 -.001 -.002 .002 |
|
O9 .5924 .2811 .6814 .014 .013 .021 .009 -.003 .002 -.002 |
|
Oh .7945 .0613 .6673 .015 .009 .020 .015 .000 .000 .004 |
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H .695 .081 .697 .050 |
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| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
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|   |
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Thorneite |
| |
Kampf A R, Housley R M, Marty J |
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American Mineralogist 95 (2010) 1548-1553 |
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Lead-tellurium oxysalts from Otto Mountain near Baker, California: III. |
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Thorneite, Pb6(Te6+2O10)(CO3)Cl2(H2O), the first mineral with |
|
edge-sharing octahedral tellurate dimers |
|
Locality: Otto Mountain, Baker, California |
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_database_code_amcsd 0017719 |
|
21.305 11.059 7.564 90 101.112 90 C2/c |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Pb1 .63753 .09635 .15303 .0186 .0139 .0241 .0165 .0015 -.0005 -.0012 |
|
Pb2 .69515 .41296 .96922 .0220 .0218 .0233 .0195 -.0020 .0007 -.0021 |
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Pb3 .55264 .24366 .52254 .0283 .0177 .0376 .0279 .0056 .0006 -.0047 |
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Te .78842 .30010 .36271 .0134 .0114 .0160 .0128 -.0030 .0024 -.0008 |
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C .5 .9822 .25 .025 .028 .017 .025 .0 -.010 .0 |
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Cl .5884 .3933 .1682 .75 .057 .032 .080 .059 .006 .009 -.002 |
|
OH .5884 .3933 .1682 .25 .057 .032 .080 .059 .006 .009 -.002 |
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O1 .5 .0990 .25 .052 .034 .033 .079 .0 -.015 .0 |
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O2 .5487 .9265 .2183 .044 .022 .049 .063 .001 .013 -.009 |
|
O3 .7815 .4526 .2479 .026 .024 .028 .021 -.011 -.006 .008 |
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O4 .6451 .2717 .7367 .020 .016 .028 .016 -.008 .003 -.012 |
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O5 .7269 .2338 .1654 .016 .013 .019 .014 -.004 -.004 .004 |
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O6 .6435 .1381 .4534 .014 .008 .025 .010 -.001 .003 -.002 |
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O7 .7201 .3460 .4937 .012 .011 .013 .014 .002 .008 -.003 |
|
Owat .5 .391 .75 .089 .095 .094 .081 .0 .022 .0 |
|
H .525 .442 .829 .08 |
|
|
| 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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Markcooperite |
| |
Kampf A R, Mills S J, Housley R M, Marty J, Thorne B |
| |
American Mineralogist 95 (2010) 1554-1559 |
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Lead-tellurium oxysalts from Otto Mountain near Baker, California: IV. |
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Markcooperite, Pb(UO2)Te6+O6, the first natural uranyl tellurate |
|
Locality: Otto Mountain, Baker, California |
|
_database_code_amcsd 0017720 |
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5.722 7.7478 7.889 90 90.833 90 P2_1/c |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Pb .4972 .1689 .6919 .0531 .044 .051 .064 -.003 -.003 .002 |
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U1 0 0 0 .75 .0386 .035 .039 .042 .003 .003 .002 |
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Te1 0 0 0 .25 .0386 .035 .039 .042 .003 .003 .002 |
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Te2 0 .5 0 .0339 .029 .034 .039 -.003 -.001 .002 |
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O1 .699 -.068 -.061 .054 .05 .05 .07 .01 -.03 .01 |
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O2 -.137 .234 .505 .038 .06 .02 .03 .00 -.02 .00 |
|
O3 .295 .085 .429 .045 .02 .05 .06 .00 .00 .03 |
|
O4 -.114 .532 -.237 .040 .03 .02 .07 -.00 -.01 .01 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Timroseite |
| |
Kampf A R, Mills S J, Housley R M, Marty J, Thorne B |
| |
American Mineralogist 95 (2010) 1560-1568 |
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Lead-tellurium oxysalts from Otto Mountain near Baker, California: V. |
|
Timroseite, Pb2Cu2+5(Te6+O6)2(OH)2, and paratimroseite, |
|
Pb2Cu2+4(Te6+O6)2(H2O)2, two new tellurates with Te-Cu polyhedral sheets |
|
Locality: Otto Mountain, Baker, California |
|
_database_code_amcsd 0017721 |
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5.2000 9.6225 11.5340 90 90 90 P2_1nm |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Pb1 .1230 .0356 0 .94 .0229 .0198 .0213 .0277 .0041 0 0 |
|
Pb1a .125 .077 0 .09 .060 .11 .037 .035 .032 0 0 |
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Pb2 .3820 .38682 .5 .84 .0208 .0170 .0178 .0277 .0013 0 0 |
|
Pb2a .279 .396 .5 .17 .062 .07 .075 .045 -.018 0 0 |
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Cu1 .6694 .89920 .18488 .0146 .0131 .0093 .0214 .0003 .0017 -.0021 |
|
Cu2 .7204 .59878 .32206 .0155 .0136 .0108 .0220 -.0026 .0036 -.0022 |
|
Cu3 .1304 .7144 .5 .0222 .0194 .0267 .0204 .0026 0 0 |
|
Te .2005 .74917 .24990 .0122 .0109 .0092 .0165 -.0004 .0001 .0003 |
|
O1 .3817 .6747 .3817 .0160 .006 .021 .021 .009 .004 .001 |
|
O2 .0013 .8259 .1236 .0143 .015 .014 .014 -.005 -.005 .006 |
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O3 .3533 .9309 .2788 .0189 .021 .010 .025 -.004 -.005 -.002 |
|
O4 .9192 .7716 .3612 .0135 .010 .014 .016 -.006 -.003 .002 |
|
O5 .0365 .5718 .2178 .0160 .011 .006 .031 .005 .008 -.001 |
|
O6 .5044 .7173 .1587 .018 .022 .005 .026 -.005 .007 -.009 |
|
OH1 .530 .9473 0 .021 .017 .023 .023 .002 0 0 |
|
OH2 .798 .5066 .5 .024 .010 .040 .022 .003 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
|
|   |
|
Paratimroseite |
| |
Kampf A R, Mills S J, Housley R M, Marty J, Thorne B |
| |
American Mineralogist 95 (2010) 1560-1568 |
|
Lead-tellurium oxysalts from Otto Mountain near Baker, California: V. |
|
Timroseite, Pb2Cu2+5(Te6+O6)2(OH)2, and paratimroseite, |
|
Pb2Cu2+4(Te6+O6)2(H2O)2, two new tellurates with Te-Cu polyhedral sheets |
|
Locality: Otto Mountain, Baker, California |
|
_database_code_amcsd 0017722 |
|
5.1943 9.6198 11.6746 90 90 90 P2_12_12_1 |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Pb .48658 .37646 .71849 .0199 .0182 .0224 .0192 .0012 .0004 .0041 |
|
Cu1 .3802 .6442 .5457 .0148 .0090 .0157 .0196 .0007 -.0011 .0012 |
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Cu2 .4205 .3513 .4222 .0145 .0090 .0159 .0184 -.0012 -.0015 .0005 |
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Te .8986 .49499 .49034 .0124 .0100 .0117 .0155 .0000 -.0003 -.0003 |
|
O1 .608 .5291 .3914 .016 .018 .015 .016 -.007 -.012 .002 |
|
O2 .195 .4730 .5870 .012 |
|
O3 .544 .8222 .5322 .023 |
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O4 .741 .3179 .5188 .022 .018 .007 .041 -.010 .003 .005 |
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O5 .415 .5715 .8624 .017 .007 .032 .012 .000 .000 -.003 |
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O6 .696 .5660 .6193 .019 .018 .028 .011 .001 .010 -.002 |
|
Wat .473 .7477 .2604 .024 .043 .008 .020 -.003 .008 -.005 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Telluroperite |
| |
Kampf A R, Mills S J, Housley R M, Marty J, Thorne B |
| |
American Mineralogist 95 (2010) 1569-1573 |
|
Lead-tellurium oxysalts from Otto Mountain near Baker, California: |
|
VI. Telluroperite, Pb3Te4+O4Cl2, the Te analog of perite and nadorite |
|
Locality: Otto Mountain, Baker, California |
|
_database_code_amcsd 0017747 |
|
5.5649 5.5565 12.4750 90 90 90 Bmmb |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Pb1 0 .25 .3892 .021 .016 .018 .028 0 0 0 |
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Pb2 0 .25 .0961 .50 .025 .013 .010 .052 0 0 0 |
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Te2 0 .25 .0961 .50 .025 .013 .010 .052 0 0 0 |
|
O .763 0 0 .018 .016 .021 .018 0 0 -.001 |
|
Cl 0 .25 .7473 .013 .019 .018 .000 0 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
|
|   |
|
Aravaipaite |
 |
Kampf A R, Yang H, Downs R T, Pinch W W |
| |
American Mineralogist 96 (2011) 402-407 |
|
The crystal structures and Raman spectra of aravaipaite and calcioaravaipaite |
|
Locality: Grand Reef mine, Aravaipa mining district, Arizona, USA |
|
_database_code_amcsd 0018320 |
|
5.6637 5.8659 12.7041 98.725 94.020 90.683 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) |
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Pb1 .30470 .11693 .36471 .01512 .01590 .01373 .01576 .00132 .00129 .00219 |
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Pb2 .76753 .04754 .11751 .02400 .0365 .01645 .0190 -.00141 .00197 .00279 |
|
Pb3 .27468 .51132 .11789 .01756 .01676 .01772 .0179 .00000 .00200 .00137 |
|
Al .7940 .6181 .3082 .0124 .0098 .0129 .0145 .0012 .0001 .0022 |
|
F1 .0486 .7745 .2740 .0265 .025 .026 .027 -.007 .013 -.006 |
|
F2 .7369 .5094 .1661 .0249 .027 .033 .014 -.002 -.001 .000 |
|
F3 .8488 .7199 .4455 .0290 .024 .047 .015 .000 .002 .001 |
|
F4 .5192 .4752 .3306 .0257 .022 .025 .031 -.009 .001 .007 |
|
F5 .6158 .8676 .2863 .0265 .030 .019 .034 .013 .013 .009 |
|
F6 .9587 .3635 .3170 .0394 .035 .032 .052 .016 -.005 .011 |
|
F7 .4996 .2430 .9924 .0188 .020 .017 .019 .0015 .000 .003 |
|
F8 .0007 .2475 .9953 .0176 .019 .020 .013 .0015 -.0028 .0019 |
|
F9 .2942 .1283 .1710 .0407 .083 .025 .014 .000 .000 .004 |
|
OW .6621 .2257 .5128 .0200 .013 .020 .027 .000 .005 .000 |
|
H1 .597 .338 .555 .050 |
|
H2 .814 .253 .509 .050 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Calcioaravaipaite |
 |
Kampf A R, Yang H, Downs R T, Pinch W W |
| |
American Mineralogist 96 (2011) 402-407 |
|
The crystal structures and Raman spectra of aravaipaite and calcioaravaipaite |
|
Locality: Grand Reef mine, Aravaipa mining district, Arizona, USA |
|
_database_code_amcsd 0018321 |
|
5.3815 5.3846 12.2034 91.364 101.110 91.525 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) |
|
Pb .27238 .28211 .107209 .01678 .01998 .01783 .01279 .00242 .00367 -.00039 |
|
Ca1 .04213 .75777 .61450 .00876 .0094 .0074 .0095 .00025 .0019 .00039 |
|
Ca2 .44851 .73503 .38616 .00891 .0092 .0077 .0097 -.00027 .0016 .00065 |
|
Al .20387 .20662 .81864 .00910 .0098 .0092 .0083 -.0003 .0017 .0006 |
|
F1 .8481 .0489 .09603 .0234 .0285 .0199 .0233 .0002 .0080 .0075 |
|
F2 .7419 .5504 .27419 .0165 .0189 .0136 .0195 .0030 .0087 .0071 |
|
F3 .3698 .0017 .73490 .0141 .0152 .0125 .0154 .0030 .0045 .0003 |
|
F4 .0419 .4057 .90021 .0180 .0219 .0186 .0147 .0060 .0058 -.0011 |
|
F5 .9168 .1103 .72148 .0169 .0117 .0169 .0198 .0011 -.0025 -.0042 |
|
F6 .5004 .2955 .90746 .0226 .0156 .0273 .0220 -.0029 -.0028 -.0032 |
|
F7 .2517 .0076 .50112 .0118 .0122 .0098 .0136 .0012 .0024 .0011 |
|
F8 .2503 .5117 .50560 .0116 .0120 .0103 .0130 -.0002 .0038 -.0002 |
|
F9 .2567 .3857 .29105 .0154 .0185 .0154 .0126 -.0043 .0051 -.0035 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fluorphosphohedyphane |
| |
Kampf A R, Housley R M |
| |
American Mineralogist 96 (2011) 423-429 |
|
Fluorphosphohedyphane, Ca2Pb3(PO4)3F, the first apatite supergroup mineral |
|
with essential Pb and F |
|
Locality: Blue Bell claims, near Baker, San Bernardino County, California, USA |
|
_database_code_amcsd 0018322 |
|
9.6402 9.6402 7.0121 90 90 120 P6_3/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) |
|
Ca1 1/3 2/3 .0046 .0085 .0093 .0093 .0068 .0047 0 0 |
|
Pb2 .23960 .00873 .25 .882 .0118 .0099 .0094 .0149 .0038 0 0 |
|
Ca2 .23960 .00873 .25 .118 .0118 .0099 .0094 .0149 .0038 0 0 |
|
P .4183 .3880 .25 .0099 .0101 .0076 .0120 .0043 0 0 |
|
O1 .3592 .5078 .25 .016 .020 .014 .016 .011 0 0 |
|
O2 .6047 .4731 .25 .016 .011 .016 .024 .007 0 0 |
|
O3 .3610 .2780 .0733 .0188 .029 .016 .017 .014 -.007 -.005 |
|
F 0 0 .5 .057 .048 .048 .076 .024 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
|
|   |
|
Brearleyite |
| |
Ma C, Connolly H C, Beckett J R, Tschauner O, Rossman G R, Kampf A R, Zega T J, |
|
Sweeney Smith S A, Schrader D L |
| |
American Mineralogist 96 (2011) 1199-1206 |
|
Brearleyite, Ca12Al14O32Cl2, a new alteration mineral from the NWA 1934 meteorite |
|
Locality: Northwest Africa 1934 CV3 carbonaceous chondrite |
|
_database_code_amcsd 0018484 |
|
11.98 11.98 11.98 90 90 90 I-43d |
|
atom x y z occ |
|
Ca1 .615 0 .25 .77 |
|
Ca2 .555 0 .25 .34 |
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Al1 .013 .013 .013 |
|
Al2 .875 0 .25 |
|
O1 .792 .095 .30 |
|
O2 .170 .170 .170 |
|
Cl .375 0 .25 .37 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Plumbophyllite |
| |
Kampf A R, Rossman G R, Housley R M |
| |
American Mineralogist 94 (2009) 1198-1204 |
|
Plumbophyllite, a new species from the Blue Bell claims near Baker, San Bernardino |
|
County, California |
|
Locality: Blue Bell claims near Baker, San Bernardino County, California, USA |
|
_database_code_amcsd 0004972 |
|
13.2083 9.7832 8.6545 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) |
|
Pb .53131 .18997 .46446 .01220 .0096 .0135 .0135 .00025 .00015 -.00134 |
|
Si1 .2749 .1825 .3184 .0071 .0071 .0067 .0075 .0009 .0004 .0005 |
|
Si2 .3044 .0755 .6398 .0072 .0070 .0070 .0075 .0015 .0012 -.0002 |
|
O1 .3926 .2162 .3017 .0134 .011 .017 .012 -.001 .000 .002 |
|
O2 .2433 -.0594 .6989 .0118 .012 .011 .013 -.001 .001 .003 |
|
O3 .2996 .1899 .7771 .0135 .015 .013 .013 .006 -.005 -.003 |
|
O4 .2416 .1370 .4927 .0108 .012 .014 .006 .001 .002 .004 |
|
O5 .4179 .0378 .5937 .0140 .011 .012 .019 .004 .005 .003 |
|
Wat .4610 .4439 .6173 .5 .071 .012 .043 .159 .007 .043 -.026 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Gayite |
| |
Kampf A R, Colombo F, Gonzalez del Tanago J |
| |
American Mineralogist 95 (2010) 386-391 |
|
Gayite, a new dufrenite-group mineral from the Gigante granitic pegmatite, |
|
Cordoba province, Argentina |
|
Locality: Gigante granitic pegmatite, Punilla department, |
|
Cordoba province, Argentina |
|
_database_code_amcsd 0005031 |
|
25.975 5.1766 13.929 90 111.293 90 C2/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) |
|
Na 0 -.1704 .25 .034 .028 .046 .024 .000 .007 .000 |
|
Fe1 0 0 0 .73 .029 .032 .030 .021 -.001 .008 .000 |
|
Al1 0 0 0 .27 .029 .032 .030 .021 -.001 .008 .000 |
|
Mn2 .25 .25 0 .93 .028 .028 .025 .022 -.002 .001 -.003 |
|
Fe2 .25 .25 0 .07 .028 .028 .025 .022 -.002 .001 -.003 |
|
Fe3 .1531 -.0199 .1095 .76 .026 .030 .027 .019 .001 .005 -.001 |
|
Al3 .1531 -.0199 .1095 .24 .026 .030 .027 .019 .001 .005 -.001 |
|
Fe4 .1397 -.2286 .3495 .87 .027 .033 .025 .020 .000 .006 .001 |
|
Al4 .1397 -.2286 .3495 .13 .027 .033 .025 .020 .000 .006 .001 |
|
P1 .2165 .2614 .3309 .030 .038 .023 .027 .002 .009 .000 |
|
P2 .0785 .2707 .3918 .034 .037 .034 .028 .002 .010 .002 |
|
O1 .0879 .0548 .3239 .038 .060 .025 .026 .010 .014 -.005 |
|
O2 .0775 .5317 .3391 .036 .050 .032 .022 .000 .009 .014 |
|
O3 .0227 .2278 .4024 .040 .036 .044 .033 .008 .003 .003 |
|
O4 .1241 .2720 .4986 .036 .025 .045 .030 .003 .001 .002 |
|
OH5 .1687 .2285 .0105 .036 .045 .034 .022 .008 .003 .000 |
|
O6 .2074 .0108 .3822 .036 .035 .040 .028 -.002 .006 -.005 |
|
O7 .1987 -.5111 .3821 .031 .043 .027 .021 -.004 .010 -.002 |
|
OH8 .1285 -.2671 .2010 .036 .043 .045 .018 -.002 .011 .007 |
|
O9 .1777 .2548 .2188 .036 .041 .037 .024 .005 .006 -.008 |
|
O10 .2241 -.2125 .1557 .034 .025 .040 .036 .006 .009 .003 |
|
OH11 .0753 .1330 .0676 .038 .033 .041 .036 .004 .007 .004 |
|
Wat12 .0232 -.2897 .1075 .036 .048 .037 .025 -.004 .014 .008 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Galliskiite |
| |
Kampf A R, Colombo F, Simmons W B, Falster A U, Nizamoff J W |
| |
American Mineralogist 95 (2010) 392-396 |
|
Galliskiite, Ca4Al2(PO4)2F8*5H2O, a new mineral from the |
|
Gigante granitic pegmatite, Cordoba province, Argentina |
|
Locality: Gigante granitic pegmatite, Punilla department, |
|
Cordoba province, Argentina |
|
_database_code_amcsd 0005032 |
|
6.1933 9.871 13.580 89.716 75.303 88.683 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) |
|
Ca1 .8349 .3009 .1467 .012 .018 .008 .009 .000 -.005 .001 |
|
Ca2 .9077 .2197 .6326 .010 .012 .009 .009 .001 -.003 -.001 |
|
Ca3 .9295 .4020 .3952 .010 .013 .009 .008 .000 -.003 .000 |
|
Ca4 .0304 -.1146 .1019 .009 .011 .008 .008 .000 -.003 .000 |
|
Al1 .8197 .4466 .8777 .006 .006 .006 .006 -.001 -.002 .001 |
|
Al2 .8282 .0602 .3749 .007 .008 .007 .006 .001 -.002 .000 |
|
P1 .7073 -.1122 .5813 .009 .009 .008 .009 .000 -.002 .001 |
|
P2 .2979 .3809 .9217 .008 .008 .008 .008 .000 -.002 -.001 |
|
O1 .4662 -.0688 .6330 .012 .011 .014 .013 .001 -.003 -.002 |
|
O2 .8644 -.0280 .6279 .010 .011 .010 .011 .001 -.003 -.001 |
|
O3 .7449 -.2654 .5967 .012 .011 .011 .015 -.002 -.005 .002 |
|
O4 .7656 -.0880 .4650 .010 .010 .009 .009 -.002 -.002 .001 |
|
O5 .2966 .2314 .8929 .012 .013 .008 .015 .000 -.004 -.002 |
|
O6 .5240 .4441 .8746 .012 .011 .013 .013 -.001 -.003 .001 |
|
O7 .1273 .4618 .8777 .009 .013 .009 .010 .001 -.004 .000 |
|
O8 .2315 .3934 .0397 .010 .012 .008 .010 .003 -.005 -.002 |
|
F1 .9084 .1977 .2859 .013 .017 .012 .011 -.002 -.005 .004 |
|
F2 .7928 .1869 .4755 .012 .016 .009 .011 -.001 -.003 -.002 |
|
F3 .9303 .0990 .0714 .017 .032 .011 .010 .006 -.006 -.001 |
|
F4 .8895 .5611 .7708 .012 .014 .013 .008 .001 .000 .004 |
|
F5 .8421 .4283 .5697 .014 .016 .013 .013 -.003 -.005 .001 |
|
F6 .8873 .2998 .7936 .012 .018 .009 .010 .003 -.004 -.003 |
|
F7 .8888 -.0656 .2728 .011 .014 .011 .010 .000 -.001 -.003 |
|
F8 .7862 .3252 .9815 .011 .015 .010 .009 -.001 -.004 .003 |
|
OW1 .5149 .2123 .6906 .017 .015 .018 .016 -.003 -.002 -.003 |
|
OW2 .2562 .3703 .5910 .020 .025 .016 .021 .005 -.010 -.007 |
|
OW3 .4542 .2256 .1561 .021 .022 .021 .020 .002 -.005 .002 |
|
OW4 .6224 .0450 .8914 .033 .017 .020 .065 .000 -.019 -.001 |
|
OW5 .6076 .4038 .3090 .018 .016 .014 .022 -.001 -.003 .000 |
|
H1A .460 .212 .759 .050 |
|
H1B .479 .130 .672 .050 |
|
H2A .343 .328 .626 .050 |
|
H2B .308 .354 .526 .050 |
|
H3A .389 .233 .218 .050 |
|
H3B .404 .274 .113 .050 |
|
H4A .581 -.038 .887 .050 |
|
H4B .503 .100 .903 .050 |
|
H5A .554 .476 .287 .050 |
|
H5B .490 .352 .340 .050 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Kuksite |
 |
Mills S J, Kampf A R, Kolitsch U, Housley R M, Raudsepp M |
| |
American Mineralogist 95 (2010) 933-938 |
|
The crystal chemistry and crystal structure of kuksite, Pb3Zn3Te6+P2O14, |
|
and a note on the crystal structure of yafsoanite, (Ca,Pb)3Zn(TeO6)2 |
|
Locality: Black Pine mine, NW of Philipsburg, Granite County, Montana, USA |
|
_database_code_amcsd 0005047 |
|
8.392 8.392 5.204 90 90 120 P321 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Pb .40881 0 0 .0295 .0322 .0299 .0255 .01497 .00031 .0006 |
|
Te 0 0 0 .0224 .0254 .0254 .0164 .0127 0 0 |
|
Zn 0 -.2478 .5 .0260 .0232 .0314 .0208 .0116 .0023 .0012 |
|
P 1/3 2/3 .5314 .797 .0261 .0264 .0264 .026 .0132 0 0 |
|
As 1/3 2/3 .5314 .202 .0261 .0264 .0264 .026 .0132 0 0 |
|
O1 -.1224 -.2161 .7878 .036 .038 .040 .027 .017 .005 -.015 |
|
O2 .5251 -.1969 .6560 .056 .037 .067 .026 -.001 .009 -.009 |
|
O3 1/3 2/3 .238 .038 .035 .035 .042 .018 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
|
|   |
|
Kuksite |
 |
Mills S J, Kampf A R, Kolitsch U, Housley R M, Raudsepp M |
| |
American Mineralogist 95 (2010) 933-938 |
|
The crystal chemistry and crystal structure of kuksite, Pb3Zn3Te6+P2O14, |
|
and a note on the crystal structure of yafsoanite, (Ca,Pb)3Zn(TeO6)2 |
|
Locality: Blue Bell claims, Baker, San Bernardino County, California, USA |
|
_database_code_amcsd 0005048 |
|
8.3942 8.3942 5.1847 90 90 120 P321 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Pb .4087 0 0 .0307 .0316 .0409 .0228 .0205 .0016 .0032 |
|
Te 0 0 0 .0194 .0248 .0248 .0086 .0124 0 0 |
|
Zn 0 -.2509 .5 .0214 .0229 .0249 .0156 .0114 .0011 -.0005 |
|
P 1/3 2/3 .5329 .67 .022 .020 .020 .024 .010 0 0 |
|
As 1/3 2/3 .5329 .33 .022 .020 .020 .024 .010 0 0 |
|
O1 -.1229 -.2174 .7884 .034 .032 .041 .030 .018 -.001 -.007 |
|
O2 .5224 -.2023 .6613 .064 .046 .060 .051 .001 .004 -.006 |
|
O3 1/3 2/3 .2456 .038 .039 .039 .035 .020 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
|
|   |
|
Yafsoanite |
 |
Mills S J, Kampf A R, Kolitsch U, Housley R M, Raudsepp M |
| |
American Mineralogist 95 (2010) 933-938 |
|
The crystal chemistry and crystal structure of kuksite, Pb3Zn3Te6+P2O14, |
|
and a note on the crystal structure of yafsoanite, (Ca,Pb)3Zn(TeO6)2 |
|
Locality: Delbe orebody, Aldan Shield, Saha Republic, Russia |
|
_database_code_amcsd 0005049 |
|
12.6350 12.6350 12.6350 90 90 90 Ia3d |
|
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 0 .25 .125 .912 .0179 .0160 .0160 .0217 .0034 0 0 |
|
Pb 0 .25 .125 .088 .0179 .0160 .0160 .0217 .0034 0 0 |
|
Te 0 0 0 .0097 .0097 .0097 .0097 .0007 .0007 .0007 |
|
Zn 0 .25 .375 .957 .0131 .0141 .0141 .0111 0 0 0 |
|
O -.0273 .0489 .1419 .0149 .012 .017 .016 .000 .003 -.001 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cobaltarthurite |
| |
Kampf A R |
 |
The Canadian Mineralogist 43 (2005) 1387-1391 |
|
The crystal structure of cobaltarthurite from the Bou Azzer district, Morocco: |
|
The location of hydrogen atoms in the arthurite structure-type |
|
Locality: Bou Azzer district, Morocco |
|
_database_code_amcsd 0006049 |
|
10.2635 9.7028 5.5711 90 94.2070 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) |
|
Co2+ 0 0 0 .0107 .0100 .0118 .0106 -.0023 .0020 -.0017 |
|
Fe3+ .4561 .1363 .3397 .0075 .0091 .0075 .0059 .0000 .0008 .0003 |
|
As .2973 .4277 .3278 .0074 .0074 .0087 .0062 .0001 .0011 -.0001 |
|
O1 .3989 .4848 .1178 .0097 .0116 .0113 .0067 -.0032 .0038 -.0004 |
|
O2 .3558 .4897 .5995 .0095 .0117 .0088 .0077 .0002 -.0009 -.0013 |
|
O3 .1483 .4904 .2594 .0136 .0086 .0187 .0136 .0034 .0016 .0030 |
|
O4 .2970 .2542 .3204 .0109 .0119 .0091 .0117 -.0006 .0010 -.0013 |
|
OH .5417 .2328 .0783 .0110 .0120 .0116 .0099 .0030 .0040 .0021 |
|
OW1 .1289 .9062 .2936 .0203 .0190 .0258 .0164 -.0021 .0029 -.0013 |
|
OW2 .0460 .1903 .1361 .0243 .0206 .0189 .0334 -.0028 .0021 -.0142 |
|
H .5816 .1789 .9815 .05 |
|
H11 .1991 .9085 .2478 .05 |
|
H12 .1252 .9326 .4318 .05 |
|
H21 .1096 .2173 .2328 .05 |
|
H22 .9839 .2383 .1819 .05 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Magnesiopascoite |
| |
Kampf A R, Steele I M |
| |
The Canadian Mineralogist 46 (2008) 679-686 |
|
Magnesiopascoite, a new member of the pascoite group: description and crystal structure |
|
Locality: Blue Cap mine, San Juan County, Utah, USA |
|
_database_code_amcsd 0006192 |
|
19.8442 9.9353 10.7149 90 120.305 90 C2/m |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca .76667 .5 .91341 .0214 .0218 .0209 .0262 0 .0157 0 |
|
Mg 0 .5 .5 .0198 .0304 .0135 .0182 0 .0142 0 |
|
V1 .5 .33296 0 .0154 .0169 .0131 .0195 0 .0116 0 |
|
V2 .54298 .5 .79713 .0164 .0159 .0200 .0165 0 .0106 0 |
|
V3 .65679 .5 .12750 .0166 .0142 .0210 .0168 0 .0095 0 |
|
V4 .38560 .34654 .67065 .0220 .0208 .0277 .0193 -.0049 .0114 -.0077 |
|
O1 .7265 .5 .0902 .0233 .0189 .0305 .0248 0 .0142 0 |
|
O2 .5499 .5 .1432 .0159 .0159 .0169 .0164 0 .0094 0 |
|
O3 .4160 .3755 .0321 .0159 .0171 .0156 .0187 -.0006 .0117 .0004 |
|
O4 .4498 .2316 .8553 .0214 .0249 .0177 .0254 -.0029 .0155 -.0033 |
|
O5 .6195 .5 .7799 .0236 .0216 .0293 .0260 0 .0166 0 |
|
O6 .4828 .3650 .6821 .0209 .0218 .0245 .0205 -.0026 .0138 -.0052 |
|
O7 .6821 .6352 .2560 .0210 .0181 .0254 .0215 -.0046 .0115 -.0045 |
|
O8 .3495 .5 .5634 .0242 .0200 .0353 .0181 0 .0101 0 |
|
O9 .3470 .2276 .5550 .0327 .0299 .0385 .0299 -.0089 .0152 -.0162 |
|
O10 .8799 .5 .4285 .0415 .0388 .0368 .0476 0 .0209 0 |
|
O11 .9785 .5 .2880 .0423 .0569 .0444 .0251 0 .0202 0 |
|
O12 .7190 .6838 .7473 .0433 .0371 .0465 .0366 -.0133 .0115 .0135 |
|
O13 0 .7037 .5 .0462 .0978 .0178 .0595 0 .0667 0 |
|
O14 .8423 .6719 .0825 .0361 .0496 .0300 .0425 -.0164 .0331 -.0090 |
|
O15 .8765 .5 .8831 .0570 .0666 .0248 .1224 0 .0795 0 |
|
H10 .870 .566 .468 .1173 |
|
H11 .966 .568 .239 .1169 |
|
H12a .748 .746 .739 .0995 |
|
H12b .713 .627 .683 .0659 |
|
H13 .001 .751 .441 .0660 |
|
H14a .826 .700 .134 .0463 |
|
H14b .866 .729 .063 .0542 |
|
H15 .896 .564 .868 .0637 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Martyite |
| |
Kampf A R, Steele I M |
| |
The Canadian Mineralogist 46 (2008) 687-692 |
|
Martyite, a new mineral species related to volborthite: Description and crystal structure |
|
Locality: Blue Cap mine, San Juan County, Utah |
|
_database_code_amcsd 0006193 |
|
6.0818 6.0818 7.1793 90 90 120 P-3m1 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Zn .5 0 .5 .88 .0185 .0157 -.0113 .0270 .0056 .0025 .0050 |
|
Co .5 0 .5 .05 .0185 .0157 .0113 .0270 .0056 .0025 .0050 |
|
V 0 0 .24954 .0101 .0102 .0102 .0100 .0051 0 0 |
|
O1 .1568 -.1568 .3267 .0225 .0205 .0205 .0225 .0072 -.0016 .0016 |
|
O2 0 0 0 .0306 .0348 .0348 .0223 .0174 0 0 |
|
Oh 2/3 1/3 .3753 .0152 .0137 .0137 .0182 .0068 0 0 |
|
Ow 2/3 1/3 .0013 .0789 .1011 .1011 .0346 .0506 0 0 |
|
Hw .830 .415 -0.029 2/3 .0500 |
|
H-OH 2/3 1/3 .247 .0500 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Bariopharmacosiderite |
| |
Hager S L, Leverett P, Williams P A, Mills S J, |
|
Hibbs D E, Raudsepp M, Kampf A R, Birch W D |
| |
The Canadian Mineralogist 48 (2010) 1477-1485 |
|
The single-crystal X-ray structures of bariopharmacosiderite-C, |
|
bariopharmacosiderite-Q and natropharmacosiderite |
|
Note: sample Bariopharmacosiderite-Q |
|
Locality: Sunny Corner mine, Sunny Corner, New South Wales, Australia |
|
7.947 7.947 8.049 90 90 90 P-42m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ba .5 .5 0 .50 .0330 .033 .033 .033 0 0 0 |
|
Fe .1422 .1422 .1437 .0078 .0064 .0064 .0110 -.0004 -.0004 -.0004 |
|
Oh2 .8858 .8858 .8868 .011 .014 .014 .007 -.001 -.001 -.001 |
|
As1 0 0 .5 .0112 .0110 .0110 .012 0 0 0 |
|
As2 .5 0 0 .0148 .0077 .019 .0175 0 0 0 |
|
O1A .1248 .1248 .3830 .016 .016 .016 .015 -.002 .000 .000 |
|
O1B .1252 .3855 .1214 .012 .014 .004 .016 -.002 -.004 .002 |
|
H .828 .828 .821 .020 |
|
Wat1A .333 .333 .740 .50 .017 |
|
Wat1B .326 .255 .673 .145 .015 |
|
Wat2A .5 0 .5 .70 .020 |
|
Wat2B .160 .5 .5 .30 .022 |
|
Wat2C .5 .5 .129 .20 .016 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Bariopharmacosiderite |
| |
Hager S L, Leverett P, Williams P A, Mills S J, |
|
Hibbs D E, Raudsepp M, Kampf A R, Birch W D |
| |
The Canadian Mineralogist 48 (2010) 1477-1485 |
|
The single-crystal X-ray structures of bariopharmacosiderite-C, |
|
bariopharmacosiderite-Q and natropharmacosiderite |
|
Note: sample Bariopharmacosiderite-C |
|
Locality: Robinson's Reef, Clunes, Victoria, Australia |
|
7.942 7.942 7.942 90 90 90 P-43m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
BaBa 0 .5 .5 .156 .016 |
|
KBa 0 .5 .5 .013 .016 |
|
NaBa 0 .5 .5 .007 .016 |
|
FeFe .1431 .1431 .1431 .99 .016 .016 .016 .016 -.0018 -.0018 -.0018 |
|
AlFe .1431 .1431 .1431 .01 .016 .016 .016 .016 -.0018 -.0018 -.0018 |
|
Oh2 .888 .888 .888 .010 .010 .010 .010 .000 .000 .000 |
|
AsAs .5 0 0 .72 .019 .008 .025 .025 0 0 0 |
|
PAs .5 0 0 .28 .019 .008 .025 .025 0 0 0 |
|
O1 .124 .387 .124 .031 .029 .036 .036 .003 .003 .005 |
|
H .831 .831 .831 .014 |
|
Wat1 .688 .688 .688 .18 .03 |
|
Wat2 .198 .5 .5 .3 .03 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Natropharmacosiderite |
 |
Hager S L, Leverett P, Williams P A, Mills S J, |
|
Hibbs D E, Raudsepp M, Kampf A R, Birch W D |
| |
The Canadian Mineralogist 48 (2010) 1477-1485 |
|
The single-crystal X-ray structures of bariopharmacosiderite-C, |
|
bariopharmacosiderite-Q and natropharmacosiderite |
|
Locality: Gold Hill mine, Utah, USA |
|
7.928 7.928 7.928 90 90 90 P-43m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
NaNa .050 .5 .5 .125 .023 |
|
KNa .050 .5 .5 .023 .023 |
|
BaNa .050 .5 .5 .018 .023 |
|
Fe .1429 .1429 .1429 .0229 .0229 .0229 .0229 -.0001 -.0001 -.0001 |
|
As .5 0 0 .0201 .0163 .0220 .0220 0 0 0 |
|
O1 .1261 .1261 .3826 .026 .029 .029 .019 -.010 .002 .002 |
|
Oh2 .8861 .8861 .8861 .018 .018 .018 .018 .001 .001 .001 |
|
H .8283 .8283 .8283 .021 |
|
Wat3 .692 .692 .692 .5 .041 |
|
Wat4 .130 .5 .5 .33 .037 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ferroericssonite |
| |
Kampf A R, Roberts A C, Venance K E, Dunning G E, Walstrom R E |
| |
The Canadian Mineralogist 49 (2011) 587-594 |
|
Ferroericssonite, the Fe2+ analogue of ericssonite, from eastern Fresno County, California, U.S.A. |
|
Locality: Esquire #8 claim, Big Creek, eastern Fresno County, California, USA |
|
_database_code_amcsd 0018382 |
|
20.3459 7.0119 5.3879 90 94.874 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) |
|
Ba .225048 0 .24144 .00956 .0113 .0081 .0093 0 .00105 0 |
|
Fe1 0 .26153 0 .0121 .0150 .0126 .0091 0 .0033 0 |
|
Fe2 0 0 .5 .0124 .0147 .0118 .0106 0 .0004 0 |
|
Fe3 0 .5 .5 .0107 .0139 .0106 .0082 0 .0038 0 |
|
Fe4 .14026 .5 .21580 .0068 .0088 .0060 .0057 0 .0007 0 |
|
Si .13431 .22566 .7125 .0062 .0086 .0052 .0047 .0005 .0002 .0002 |
|
OH1 .0555 0 .1802 .77 .038 .073 .025 .017 0 .006 0 |
|
Cl1 .0555 0 .1802 .23 .038 .073 .025 .017 0 .006 0 |
|
O2 .1574 0 .7195 .0126 .012 .006 .019 0 .0021 0 |
|
O3 .05466 .2455 .6846 .0099 .0085 .0111 .0101 .0015 .0015 -.0008 |
|
O4 .16858 .3090 .9732 .0105 .0135 .0103 .0076 -.0005 .0008 -.0007 |
|
O5 .16897 .3092 .4761 .0105 .0125 .0105 .0086 .0007 .0013 .0028 |
|
O6 .0497 .5 .1922 .0101 .009 .011 .010 0 .0030 0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Rakovanite |
| |
Kampf A R, Hughes J M, Marty J, Gunter M E, Nash B |
| |
The Canadian Mineralogist 49 (2011) 595-604 |
|
Rakovanite, Na3{H3[V10O28]}*15H2O, a new member of the |
|
pascoite family with a protonated decavanadate polyanion |
|
Locality: Synthetic |
|
_database_code_amcsd 0018383 |
|
12.0248 17.121 18.140 90 106.242 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) |
|
V1 .06629 -.12903 .10294 .0195 .0198 .0252 .0118 -.0010 .0014 -.0001 |
|
V2 -.01357 -.12711 .24943 .0194 .0165 .0234 .0175 -.0011 .0035 .0005 |
|
V3 .13092 -.21570 .39482 .0212 .0249 .0206 .0184 -.0028 .0065 .0031 |
|
V4 .12453 -.03548 .39361 .0206 .0236 .0211 .0175 .0011 .0063 -.0009 |
|
V5 .28535 -.03402 .10014 .0222 .0263 .0237 .0169 -.0002 .0065 .0047 |
|
V6 .29434 -.21384 .10274 .0226 .0282 .0214 .0189 .0011 .0079 -.0026 |
|
V7 .43406 -.12108 .24686 .0182 .0187 .0206 .0151 .0005 .0047 .0001 |
|
V8 .35254 -.12222 .39303 .0181 .0187 .0199 .0144 -.0001 .0029 .0004 |
|
V9 .21232 -.22040 .24850 .0175 .0205 .0154 .0154 -.0004 .0029 -.0010 |
|
V10 .20634 -.02923 .24729 .0170 .0196 .0133 .0176 .0001 .0043 .0001 |
|
Na1 .28198 .12442 -.06503 .0394 .0355 .0560 .0272 .0021 .0095 .0038 |
|
Na2 -.19310 .13984 .16880 .0316 .0322 .0291 .0343 .0057 .0107 -.0028 |
|
Na3 -.30959 .10623 .32547 .0325 .0325 .0328 .0318 .0038 .0083 -.0036 |
|
O1 -.0685 -.1316 .05411 .0246 .020 .033 .018 -.001 -.0005 .001 |
|
O2 -.1445 -.1279 .19691 .0238 .0161 .027 .024 .0005 -.0009 -.001 |
|
O3 .1063 -.2848 .4479 .0295 .034 .026 .027 -.003 .007 .006 |
|
O4 .0949 .0321 .4462 .0271 .028 .027 .028 .0034 .011 -.012 |
|
O5 .3102 .0344 .0477 .0315 .038 .034 .024 -.003 .012 .009 |
|
O6 .3261 -.2819 .0520 .0341 .042 .034 .029 .007 .015 -.007 |
|
O7 .5663 -.1197 .29885 .0238 .016 .031 .023 -.001 .0021 -.000 |
|
O8 .4860 -.1193 .44337 .0236 .0201 .0293 .0182 -.0022 .0004 -.0033 |
|
O9 .2438 -.1249 .18500 .0160 .0197 .0160 .0110 .0027 .0023 .003 |
|
O10 .1733 -.1244 .31152 .0166 .017 .017 .016 .0034 .0039 -.0017 |
|
O11 .0566 -.1995 .1887 .0183 .020 .018 .017 -.0040 .0039 -.0011 |
|
O12 .0531 -.0549 .1874 .0174 .015 .025 .011 -.0018 .0007 .0029 |
|
O13 -.0107 -.2059 .3193 .022 .027 .021 .017 .004 .004 .001 |
|
O14 -.0162 -.0489 .3178 .0213 .017 .023 .024 .001 .0063 -.005 |
|
O15 .1005 -.1256 .44121 .0215 .023 .025 .017 -.001 .006 -.003 |
|
O16 .2911 -.2009 .4359 .0192 .025 .018 .013 -.0005 .0022 .0035 |
|
O17 .1775 -.2786 .3143 .0209 .020 .020 .021 -.003 .004 .000 |
|
O18 .2864 -.0440 .4350 .020 .018 .025 .019 -.003 .007 .000 |
|
O19 .1678 .0296 .3111 .0199 .022 .014 .023 -.0008 .004 -.001 |
|
O20 .3662 -.1947 .3095 .0177 .021 .015 .015 .0005 .0027 -.0042 |
|
O21 .3611 -.0505 .3077 .0160 .019 .015 .014 -.0013 .0031 -.0044 |
|
O22 .4274 -.0438 .1780 .0199 .017 .025 .018 .0013 .0052 .0008 |
|
O23 .4333 -.2005 .1802 .0217 .024 .019 .023 .003 .0076 -.000 |
|
O24 .3174 -.1239 .05489 .0238 .027 .029 .017 .001 .008 -.001 |
|
O25 .2403 .0302 .1819 .0178 .018 .018 .018 -.0018 .0055 .001 |
|
O26 .1321 -.2054 .0609 .0238 .027 .028 .014 -.0022 .0039 -.0042 |
|
O27 .1274 -.0487 .0606 .0212 .024 .024 .015 -.0029 .0028 .0020 |
|
O28 .2501 -.2792 .1851 .0216 .026 .018 .019 -.000 .0027 -.003 |
|
O29 .3867 .0315 -.1112 .044 .040 .042 .058 .002 .026 .012 |
|
O30 .3741 .2151 -.1225 .038 .036 .043 .039 .002 .016 -.004 |
|
O31 -.1394 .2460 .0980 .040 .046 .039 .031 -.014 .004 -.003 |
|
O32 -.1075 .0522 .1008 .0414 .058 .042 .022 .026 .008 .004 |
|
O33 -.3840 .1286 .0765 .0434 .041 .062 .030 .005 .014 .001 |
|
O34 -.0071 .1488 .2551 .0491 .037 .028 .065 .002 -.014 -.008 |
|
O35 -.2763 .2187 .2423 .044 .031 .049 .044 .018 -.003 -.018 |
|
O36 -.2299 .0291 .2481 .038 .037 .042 .031 .007 .003 -.006 |
|
O37 -.1203 .1231 .4046 .039 .033 .054 .029 .011 .007 -.003 |
|
O38 -.5030 .1020 .2521 .047 .049 .026 .054 .010 -.005 -.012 |
|
O39 -.3414 .0025 .4106 .0476 .063 .046 .031 -.027 .009 -.002 |
|
O40 -.3779 .1955 .4015 .043 .059 .043 .021 .024 .002 -.002 |
|
O41 .1760 .1302 .5923 .071 .061 .084 .079 .006 .035 .002 |
|
O42 .0907 .1558 .1100 .0471 .053 .040 .043 .012 .006 .017 |
|
O43 .0942 -.3993 .1080 .0518 .055 .040 .055 .000 .007 -.002 |
|
H29A .382 -.0128 -.097 .03 |
|
H29B .445 .046 -.123 .08 |
|
H30A .427 .203 -.140 .06 |
|
H30B .393 .2615 -.118 .04 |
|
H31A -.078 .266 .118 .04 |
|
H31B -.128 .253 .057 .03 |
|
H32A -.115 .040 .0563 .008 |
|
H32B -.075 .025 .121 .02 |
|
H33A -.358 .141 .041 .08 |
|
H33B -.433 .163 .066 .17 |
|
H34A .047 .120 .273 .03 |
|
H34B .020 .191 .265 .05 |
|
H35A -.337 .242 .224 .02 |
|
H35B -.243 .244 .280 .018 |
|
H36A -.278 .002 .218 .06 |
|
H36B -.168 .009 .270 .11 |
|
H37A -.062 .105 .396 .04 |
|
H37B -.101 .123 .452 .08 |
|
H38A -.510 .065 .226 -.009 |
|
H38B -.560 .129 .236 .07 |
|
H39A -.387 -.033 .409 .024 |
|
H39B -.327 .019 .454 .10 |
|
H40A -.355 .186 .447 .08 |
|
H40B -.413 .235 .382 .09 |
|
H41A .213 .088 .596 .12 |
|
H41B .118 .126 .608 .12 |
|
H42A .136 .120 .131 .008 |
|
H42B .088 .167 .0647 .11 |
|
H43A .064 -.440 .087 .33 |
|
H43B .149 -.371 .129 .19 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Huemulite |
 |
Colombo F, Baggio R, Kampf A R |
| |
The Canadian Mineralogist 49 (2011) 849-864 |
|
The crystal structure of the elusive huemulite |
|
Locality: synthetic |
|
_database_code_amcsd 0018460 |
|
9.0425 11.3303 11.7353 105.222 97.377 100.791 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) |
|
Na1 .5 .5 .5 .0408 .0358 .0473 .0275 .0037 .0042 -.0074 |
|
Na2 .28638 .40537 .70452 .0428 .0494 .0471 .0401 .0187 .0180 .0157 |
|
Na3 .5 .5 0 .0335 .0322 .0330 .0358 .0129 .0061 .0052 |
|
Mg1 .5 0 .5 .0263 .0246 .0293 .0312 .0145 .0109 .0093 |
|
V1 .83596 .74497 .75465 .02424 .0280 .01904 .0197 .00230 .00178 -.0024 |
|
V2 .18295 .84113 .79384 .02460 .0282 .0215 .0283 .00740 .01661 .00811 |
|
V3 .03857 .76811 .99849 .01924 .0222 .01564 .0230 .00847 .00724 .00569 |
|
V4 .81256 .94733 .97807 .01611 .01277 .01633 .02017 .00745 .00407 .00198 |
|
V5 .97200 .02589 .77571 .01931 .0228 .01971 .01627 .00785 .00428 .00284 |
|
O1 .7036 .63652 .66035 .0397 .0448 .0289 .0304 .0002 -.0027 -.0090 |
|
O2 .70196 .82217 .86861 .0236 .0183 .0224 .0274 .0086 .0015 -.0016 |
|
O3 .82631 .88103 .69383 .0252 .0278 .0248 .0182 .0061 -.0009 -.0018 |
|
O4 .0129 .72617 .69917 .0297 .0399 .0220 .0245 .0014 .0137 .0034 |
|
O5 .88645 .67025 .87581 .0239 .0284 .0159 .0264 .0059 .0075 .0016 |
|
O6 .83030 .06848 .89225 .0187 .0149 .0203 .0228 .0108 .0029 .0031 |
|
O7 .13044 .96593 .72610 .0248 .0305 .0244 .0230 .0095 .0130 .0060 |
|
O8 .18995 .75544 .90835 .0257 .0264 .0220 .0361 .0121 .0161 .0114 |
|
O9 .89011 .85207 .07876 .0169 .0162 .0159 .0199 .0074 .0052 .0024 |
|
O10 .94441 .11931 .69616 .0291 .0320 .0313 .0279 .0170 .0054 .0049 |
|
O11 .3220 .80842 .72721 .0374 .0408 .0341 .0466 .0135 .0297 .0143 |
|
O12 .06696 .67647 .07938 .0304 .0349 .0267 .0395 .0196 .0121 .0130 |
|
O13 .00329 .90959 .90089 .0170 .0165 .0162 .0190 .0064 .0052 .0029 |
|
O14 .30389 .99325 .93135 .0235 .0185 .0241 .0314 .0108 .0104 .0056 |
|
OW1 .5134 .37056 .6329 .0448 .0476 .0316 .0555 .0104 .0156 .0091 |
|
H1A .521 .2968 .603 .054 |
|
H1B .578 .397 .6976 .054 |
|
OW2 .3009 .5503 .5917 .0553 .0779 .0447 .0498 .0117 .0269 .0226 |
|
H2A .219 .535 .539 .066 |
|
H2B .306 .6200 .643 .066 |
|
OW3 .1431 .2115 .55469 .0437 .0503 .0529 .0312 .0153 .0161 .0096 |
|
H3A .120 .193 .4791 .052 |
|
H3B .064 .182 .579 .052 |
|
OW4 .0645 .4593 .7686 .0577 .0755 .0465 .0735 .0291 .0491 .0283 |
|
H4A .023 .419 .812 .069 |
|
H4B .052 .5324 .797 .069 |
|
OW5 .4297 .61851 .86666 .0368 .0343 .0350 .0459 .0164 .0109 .0111 |
|
H5A .365 .661 .884 .044 |
|
H5B .505 .674 .866 .044 |
|
OW6 .3393 .30988 .85774 .0349 .0308 .0312 .0464 .0184 .0130 .0026 |
|
H6A .267 .264 .875 .042 |
|
H6B .399 .262 .848 .042 |
|
OW7 .6897 .45484 .8785 .0415 .0301 .0318 .0704 .0255 .0144 .0074 |
|
H7A .748 .5233 .883 .050 |
|
H7B .747 .415 .907 .050 |
|
OW8 .6347 .14362 .64575 .0404 .0336 .0431 .0443 .0107 .0076 .0115 |
|
H8A .605 .144 .7117 .048 |
|
H8B .7297 .155 .645 .048 |
|
OW9 .3120 .0307 .57329 .0428 .0432 .0565 .0527 .0361 .0313 .0259 |
|
H9A .267 .003 .623 .051 |
|
H9B .274 .093 .576 .051 |
|
OW10 .4647 .13222 .41227 .0339 .0276 .0468 .0400 .0275 .0132 .0135 |
|
H10A .523 .142 .364 .041 |
|
H10B .3753 .123 .376 .041 |
|
OW11 .5428 .1401 .86016 .0401 .0244 .0518 .0507 .0294 .0047 .0060 |
|
H11A .473 .090 .877 .048 |
|
H11B .623 .132 .898 .048 |
|
Wat12A .8775 .3473 .5385 .26 .102 .082 .146 .087 .031 .009 .059 |
|
Wat12B .9643 .4380 .5229 .65 .090 .073 .087 .093 -.001 -.009 .031 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Huemulite |
 |
Colombo F, Baggio R, Kampf A R |
| |
The Canadian Mineralogist 49 (2011) 849-864 |
|
The crystal structure of the elusive huemulite |
|
Locality: West Sunday mine, Utah, USA |
|
_database_code_amcsd 0018461 |
|
9.0453 11.3337 11.7372 105.223 97.383 100.790 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) |
|
Na1 .5 .5 .5 .0443 .0406 .0500 .0306 .0051 .0053 -.0071 |
|
Na2 .28622 .40535 .70437 .0469 .0549 .0493 .0452 .0209 .0194 .0167 |
|
Na3 .5 .5 .0000 .0372 .0374 .0357 .0397 .0152 .0068 .0059 |
|
Mg1 .5 0 .5 .0295 .0278 .0317 .0361 .0173 .0112 .0099 |
|
V1 .83583 .74493 .75461 .02819 .0332 .0215 .0246 .0044 .0030 -.0016 |
|
V2 .18297 .84107 .79391 .02845 .0334 .0245 .0327 .0099 .0179 .0091 |
|
V3 .03858 .76814 .99854 .02289 .0266 .0183 .0275 .0106 .0087 .00639 |
|
V4 .81258 .94732 .97815 .01973 .0175 .0188 .0244 .00930 .00524 .00257 |
|
V5 .97184 .02587 .77563 .02316 .0274 .0226 .0210 .0100 .0059 .00336 |
|
O1 .7034 .6365 .6604 .0437 .0480 .0323 .0350 .0018 -.0028 -.0100 |
|
O2 .7021 .82217 .86874 .0266 .0211 .0261 .0294 .0095 .0011 -.0017 |
|
O3 .8264 .88089 .69397 .0282 .0315 .0282 .0200 .0077 -.0013 -.0014 |
|
O4 .0134 .72612 .69966 .0329 .0441 .0245 .0288 .0038 .0146 .0054 |
|
O5 .8866 .67004 .87591 .0294 .0338 .0192 .0356 .0096 .0111 .0018 |
|
O6 .83062 .06803 .89220 .0220 .0185 .0229 .0270 .0121 .0039 .0035 |
|
O7 .1305 .96598 .72635 .0282 .0354 .0267 .0266 .0114 .0151 .0060 |
|
O8 .1896 .75564 .90795 .0296 .0306 .0230 .0418 .0135 .0161 .0103 |
|
O9 .89051 .85238 .07903 .0212 .0216 .0177 .0266 .0098 .0083 .0025 |
|
O10 .9448 .11888 .69620 .0327 .0358 .0352 .0311 .0187 .0059 .0050 |
|
O11 .3218 .8082 .7272 .0404 .0451 .0369 .0504 .0163 .0308 .0166 |
|
O12 .0670 .67687 .07928 .0332 .0390 .0285 .0411 .0208 .0113 .0121 |
|
O13 .00340 .90933 .90088 .0220 .0253 .0184 .0249 .0088 .0090 .0047 |
|
O14 .3036 .99306 .93123 .0261 .0229 .0268 .0337 .0134 .0120 .0068 |
|
OW1 .5128 .3704 .6328 .0488 .0563 .0342 .0595 .0143 .0189 .0127 |
|
H1A .522 .2976 .600 .059 |
|
H1B .573 .388 .699 .059 |
|
OW2 .3005 .5502 .5913 .0601 .087 .0466 .0550 .0138 .0302 .0260 |
|
H2A .220 .537 .538 .072 |
|
H2B .296 .619 .640 .072 |
|
OW3 .1424 .2114 .5546 .0483 .0559 .0532 .0393 .0167 .0189 .0097 |
|
H3A .126 .189 .4786 .058 |
|
H3B .065 .178 .577 .058 |
|
OW4 .0641 .4596 .7690 .0609 .0793 .0494 .078 .0321 .0518 .0301 |
|
H4A .030 .420 .815 .073 |
|
H4B .038 .528 .793 .073 |
|
OW5 .4289 .6185 .8664 .0406 .0381 .0381 .0505 .0179 .0128 .0111 |
|
H5A .362 .659 .885 .049 |
|
H5B .508 .674 .875 .049 |
|
OW6 .3394 .3095 .8575 .0382 .0361 .0321 .0508 .0194 .0144 .0041 |
|
H6A .266 .264 .875 .046 |
|
H6B .402 .263 .855 .046 |
|
OW7 .6896 .4551 .8786 .0459 .0347 .0350 .0758 .0270 .0149 .0085 |
|
H7A .748 .5255 .889 .055 |
|
H7B .748 .413 .903 .055 |
|
OW8 .6348 .1433 .6461 .0447 .0453 .0444 .0453 .0108 .0126 .0132 |
|
H8A .626 .165 .7189 .054 |
|
H8B .700 .154 .601 .054 |
|
OW9 .3124 .0304 .5729 .0468 .0465 .0582 .0595 .0377 .0315 .0263 |
|
H9A .270 .005 .625 .056 |
|
H9B .271 .091 .581 .056 |
|
OW10 .4644 .1323 .4127 .0373 .0302 .0500 .0437 .0278 .0136 .0135 |
|
H10A .514 .135 .357 .045 |
|
H10B .3733 .123 .378 .045 |
|
OW11 .5427 .1398 .8601 .0437 .0305 .0547 .0540 .0313 .0065 .0086 |
|
H11A .481 .096 .890 .052 |
|
H11B .625 .133 .898 .052 |
|
Wat12A .8766 .3447 .5397 .29 .111 .090 .156 .100 .042 .015 .058 |
|
Wat12B .965 .437 .5225 .57 .100 .085 .105 .115 .020 .011 .057 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Gunterite |
| |
Kampf A R, Hughes J M, Marty J, Nash B |
| |
The Canadian Mineralogist 49 (2011) 1243-1251 |
|
Gunterite, Na4(H2O)16(H2V10O28)*6H2O, a new mineral species |
|
with a doubly-protonated decavanadate polyanion: |
|
crystal structure and descriptive mineralogy |
|
Locality: West Sunday mine, San Miguel County, Colorado, USA |
|
_database_code_amcsd 0018627 |
|
19.848 10.1889 13.1184 90 130.187 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) |
|
Na1 .3134 .5 .0401 .066 .059 .047 .098 0 .053 0 |
|
Na2 .623 .5 .344 .56 .056 .045 .044 .09 0 .046 0 |
|
Ca2 .6693 .5 .413 .44 .052 .045 .044 .083 0 .048 0 |
|
V1 0 .3386 .5 .0337 .0303 .0280 .049 0 .0284 0 |
|
V2 .93435 .5 .6285 .0368 .0310 .0355 .051 0 .0297 0 |
|
V3 .82092 .5 .3223 .0367 .0289 .0355 .051 0 .0280 0 |
|
V4 .88655 .34890 .1951 .0392 .0361 .0339 .0504 -.0010 .0291 -.0023 |
|
O1 .7338 .5 .3092 .045 .033 .047 .055 0 .029 0 |
|
O2 .8454 .5 .6088 .046 .042 .049 .061 0 .040 0 |
|
O3 .9494 .2369 .3644 .037 .035 .033 .050 -.003 .030 -.003 |
|
O4 .8477 .5 .0940 .039 .041 .027 .049 0 .029 0 |
|
O5 .0504 .5 .6337 .033 .031 .029 .049 0 .030 0 |
|
O6 .8977 .6222 .4811 .033 .029 .027 .050 .001 .028 -.001 |
|
O7 .9995 .6317 .7489 .041 .038 .033 .057 -.001 .033 -.004 |
|
O8 .8491 .2304 .0891 .048 .048 .036 .061 -.004 .035 -.009 |
|
O9 .7991 .3685 .2102 .037 .033 .036 .049 -.002 .029 -.004 |
|
OW1 .4161 .5 .0050 .073 .062 .065 .092 0 .050 0 |
|
OW2 .3211 .5 .2369 .099 .107 .102 .100 0 .072 0 |
|
OW3 .5651 .6650 .2031 .108 .133 .049 .215 -.006 .146 -.025 |
|
OW4 .7011 .6773 .5326 .084 .082 .070 .126 .025 .079 .014 |
|
OW5 .5270 .5 .376 .223 .32 .056 .56 0 .41 0 |
|
OW6 .6693 .1947 .1683 .089 .091 .085 .109 .009 .074 .015 |
|
OW7 .583 0 .026 .183 .37 .093 .140 0 .19 0 |
|
OW8 .7600 .5 .684 .134 .166 .104 .19 0 .140 0 |
|
H1A .3985 .4392 .0275 2 |
|
H2A .3833 .5 .2530 .119 |
|
H2B .3724 .5 .3286 .119 |
|
H3A .6107 .6836 .2763 .129 |
|
H3B .5409 .7302 .2024 .129 |
|
H4A .7065 .6472 .6003 .04 |
|
H4B .6634 .7269 .5318 .13 |
|
H5 .5069 .4289 .3773 .4 |
|
H6A .6433 .2706 .1287 .13 |
|
H6B .7230 .2130 .1952 .27 |
|
H7A .5582 0 -.0597 .01 |
|
H7B .5259 0 -.0078 .07 |
|
H8A .80 .5 .67 2 |
|
H8B .71 .5 .60 2 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Devitoite |
 |
Kampf A R, Rossman G R, Steele I M, Pluth J J, Dunning G E, Walstrom R E |
| |
The Canadian Mineralogist 48 (2010) 29-40 |
|
Devitoite, a new heterophyllosilicate mineral with |
|
astrophyllite-like layers from eastern Fresno County, California |
|
Locality: Big Creek, eastern Fresno County, California |
|
_database_code_amcsd 0006313 |
|
5.3437 11.6726 14.680 91.337 96.757 103.233 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) |
|
Ba1 .5189 .9434 .6446 .044 .054 .033 .042 .006 .005 .003 |
|
Ba2 .1665 .2687 .5972 .035 .027 .040 .040 .008 .005 .003 |
|
Ba3 .8216 .5529 .6413 .046 .055 .025 .057 .003 .007 .009 |
|
P .342 .661 .532 .029 .04 .01 .04 -.00 .01 -.00 |
|
O16 .171 .732 .569 .044 .04 .05 .05 .01 .01 .01 |
|
O17 .680 .331 .572 .058 .06 .07 .04 .02 .00 .02 |
|
O18 .606 .733 .569 .041 .02 .06 .04 -.01 .00 .00 |
|
O19 .286 .534 .558 .072 .02 .10 .10 .02 .01 -.04 |
|
C 0 0 .5 .06 .03 .09 .05 .02 -.01 .04 |
|
O20 .232 .043 .541 .5 .034 .03 .03 .04 .04 -.05 -.05 |
|
O21 .040 .034 .586 .5 .005 .00 .02 .00 .03 -.01 -.02 |
|
O22 .829 .037 .535 .5 .07 .05 .11 .09 .09 .05 .02 |
|
Fe1 .1312 .2840 .9829 .029 .025 .021 .040 .005 .006 .007 |
|
Fe2 .7104 .4271 .9921 .029 .019 .025 .045 .007 .010 .006 |
|
Fe3 .5655 .1425 .9868 .031 .025 .027 .039 .003 .006 .003 |
|
Fe4 0 0 0 .033 .031 .025 .043 .008 .003 .002 |
|
Fe5 .7271 .2704 .7875 .030 .026 .021 .040 .000 .005 -.003 |
|
Si1 .148 .1049 .7981 .022 .027 .005 .033 .003 .001 .005 |
|
Si2 .031 .8378 .8225 .028 .023 .013 .046 .000 .007 -.004 |
|
Si3 .469 .7085 .8264 .022 .019 .013 .033 .001 .006 .004 |
|
Si4 .319 .4395 .8060 .024 .015 .023 .034 .002 .008 .009 |
|
O1 .200 .132 .910 .034 .04 .01 .06 .01 .00 .02 |
|
O2 .775 .278 .913 .027 .00 .01 .06 -.01 .00 .00 |
|
O3 .068 .850 .932 .016 .01 .01 .02 -.01 .00 -.01 |
|
OH4 .363 .015 .072 .040 .02 .04 .06 .01 .01 -.00 |
|
OH5 .074 .426 .070 .030 .03 .02 .04 -.01 .02 -.01 |
|
O6 .492 .288 .062 .026 .02 .01 .05 -.00 .01 .01 |
|
O7 .349 .432 .917 .036 .00 .06 .05 .00 .01 -.01 |
|
O8 .738 .766 .785 .061 .02 .11 .03 -.03 .01 -.02 |
|
O9 .025 .387 .755 .057 .00 .12 .03 -.01 -.00 .02 |
|
O10 .238 .774 .786 .058 .08 .10 .02 .08 .01 .01 |
|
O11 .911 .148 .751 .070 .05 .14 .03 .06 -.01 -.01 |
|
O12 .515 .385 .760 .047 .05 .06 .05 .05 .02 -.01 |
|
O13 .067 .959 .775 .061 .10 .00 .08 .00 .02 .00 |
|
O14 .381 .576 .783 .084 .08 .12 .04 -.01 .01 -.02 |
|
O15 .401 .148 .753 .057 .05 .06 .05 -.03 .03 -.04 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Jacquesdietrichite |
| |
Kampf A R, Favreau G |
| |
European Journal of Mineralogy 16 (2004) 361-366 |
|
Jacquesdietrichite, Cu2[BO(OH)2](OH)3, a new mineral from the |
|
Tachgagalt mine, Morocco: Description and crystal structure |
|
Locality: Tachgagalt mine, Morocco |
|
_database_code_amcsd 0007064 |
|
9.455 5.866 8.668 90 90 90 Pnma |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Cu .2489 .0019 .9249 .0113 .0122 .0039 .0178 .0002 -.0053 .0004 |
|
B .015 .25 .172 .004 |
|
O1 .0897 .0534 .1781 .009 |
|
O2 .3629 .25 .0044 .009 |
|
O3 .3464 .75 .0221 .007 |
|
O4 .3707 .25 .3501 .011 |
|
O5 .3656 .75 .3304 .005 |
|
H1 .018 .966 .188 .05 |
|
H2 .428 .25 .072 .05 |
|
H3 .435 .75 .004 .05 |
|
H5 .384 .75 .235 .05 |
|
|
| 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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|   |
|
Guanacoite |
| |
Witzke T, Kolitsch U, Krause W, Wiechowski A, Medenbach O, Kampf A R, |
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Steele I M, Favreau G |
| |
European Journal of Mineralogy 18 (2006) 813-821 |
|
Guanacoite, Cu2Mg2(Mg0.5Cu0.5)(OH)4(H2O)4(AsO4)2, a new arsenate mineral |
|
species from the El Guanaco Mine, near Taltal, Chile: Description and crystal structure |
|
Locality: El Guanaco Mine, Taltal, Chile |
|
_database_code_amcsd 0007188 |
|
5.475 16.865 6.915 90 99.80 90 P2_1/c |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Cu1 0 0 0 .504 .00995 .0083 .0107 .0109 .00063 .00163 .00220 |
|
MgCu1 0 0 0 .496 .00995 .0083 .0107 .0109 .00063 .00163 .00220 |
|
Cu2 .48613 .061215 .81351 .01084 .00813 .00980 .01437 .00096 .00132 .00045 |
|
Mg3 -.03662 .12866 .66179 .961 .0108 .0095 .0127 .0105 -.0001 .0024 -.0010 |
|
CuMg3 -.03662 .12866 .66179 .039 .0108 .0095 .0127 .0105 -.0001 .0024 -.0010 |
|
As .38336 .117186 .33611 .00885 .00849 .00944 .00868 -.00036 .00163 -.00005 |
|
O1 .3498 .04317 .1671 .0138 .0188 .0095 .0125 .0021 .0007 -.0023 |
|
O2 .6149 .09660 .5199 .0150 .0103 .0210 .0123 .0001 -.0018 .0028 |
|
O3 .1144 .13312 .4139 .0156 .0098 .0246 .0133 .0036 .0047 .0021 |
|
O4 .4383 .19887 .2077 .0139 .0169 .0101 .0155 -.0008 .0047 .0019 |
|
Oh5 .1484 .02198 .7504 .0114 .0111 .0106 .0124 -.0003 .0017 -.0026 |
|
Oh6 .8180 .10178 .9159 .0116 .0110 .0115 .0122 .0002 .0021 -.0019 |
|
Ow1 .3132 .16615 .8361 .0118 .0130 .0090 .0134 -.0006 .0024 .0015 |
|
Ow2 .8780 .25109 .1683 .0165 .0118 .0141 .0228 -.0016 .0010 .0036 |
|
H1 .137 -.007 .693 .029 |
|
H2 .817 .129 .971 .025 |
|
H3 .354 .203 .789 .029 |
|
H4 .340 .177 .963 .032 |
|
H5 .968 .224 .235 .033 |
|
H6 .735 .241 .178 .033 |
|
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| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
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|   |
|
Brochantite |
 |
Mills S J, Kampf A R, Pasero M, Merlino S |
| |
European Journal of Mineralogy 22 (2010) 453-457 |
|
Discreditation of ''orthobrochantite'' (IMA 78-64) as the MDO1 polytype |
|
of brochantite |
|
Note: This is the MDO1 polytype of brochanite, that used to be called orthobrochantite |
|
Locality: Douglas Hill mine, Yerington, Nevada, USA |
|
_database_code_amcsd 0018378 |
|
13.1117 9.8654 6.0307 90 103.255 90 P2_1/a |
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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) |
|
Cu1 .38150 .74087 .3167 .0077 .0108 .0072 .0054 -.0021 .0027 .0001 |
|
Cu2 .20272 .50997 .4761 .0095 .0117 .0091 .0075 -.0016 .0020 -.0007 |
|
Cu3 .20549 .50995 -.0217 .0082 .0095 .0077 .0077 -.0011 .0026 .0002 |
|
Cu4 .38001 .74252 .8146 .0085 .0123 .0081 .0054 -.0020 .0028 -.0010 |
|
S1 .1128 .8028 .1819 .0150 .0172 .0099 .0181 -.0008 .0046 .0010 |
|
O1 .4152 .8671 .5827 .0097 .012 .012 .006 .000 .004 .001 |
|
O2 .3444 .6181 .5506 .0126 .012 .012 .012 -.006 -.001 -.004 |
|
O3 .1368 .6048 .6938 .0194 .025 .035 .003 -.012 .011 -.005 |
|
O4 .2587 .4011 .2561 .026 .020 .048 .012 -.018 .008 -.005 |
|
O5 .3413 .6170 .0435 .0059 .007 .007 .005 .001 .004 .003 |
|
O6 .4087 .8678 .0800 .0075 .012 .008 .004 -.002 .004 .001 |
|
O7 .2228 .8594 .2394 .030 .020 .054 .016 .016 .002 .005 |
|
O8 .5577 .6496 .3665 .029 .011 .016 .058 .001 .005 .008 |
|
O9 .1185 .6500 .1867 .029 .035 .015 .032 -.010 .001 .001 |
|
O10 .5583 .6507 .9457 .031 .009 .016 .062 .000 -.003 -.006 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Pb3Fe2(PO4)4(H2O) |
| |
Mills S J, Kolitsch U, Miyawaki R, Hatert F, Poirier G, Kampf A R, |
|
Matsubara S, Tillmanns E |
| |
European Journal of Mineralogy 22 (2010) 595-604 |
|
Pb3Fe3+2(PO4)4(H2O), a new octahedral-tetrahedral framework structure |
|
with double-strand chains |
|
Locality: synthetic |
|
T = 220 C |
|
_database_code_amcsd 0017730 |
|
9.0440 9.0440 16.766 90 90 90 P4_12_12 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Pb1 .13213 .13213 0 .01348 .0132 .0132 .0140 -.0026 .00283 -.00283 |
|
Pb2 .07837 .34364 .26523 .02156 .0256 .0270 .0121 -.0060 -.0006 .0007 |
|
Fe .5003 .25894 .12075 .0047 .0040 .0066 .0033 -.0003 .0001 -.0004 |
|
P1 .2283 .4920 .07791 .0069 .0059 .0114 .0034 .0021 .0008 -.0007 |
|
P2 .4681 .2687 .31889 .0074 .0139 .0021 .0063 -.0022 .0008 .0001 |
|
O1 .5226 .2219 .2380 .017 .021 .025 .004 -.002 .001 -.001 |
|
O2 .1025 .3816 .0675 .0143 .008 .017 .018 -.004 -.002 -.006 |
|
O3 .3401 .3772 .3149 .018 .027 .012 .015 .011 .004 .000 |
|
O4 .3589 .4244 .1252 .0102 .009 .012 .009 .007 -.006 -.003 |
|
O5 .0960 .1684 .3809 .0106 .010 .014 .008 .009 .002 .002 |
|
O6 .4234 .1281 .3665 .0074 .011 .006 .005 -.001 .000 .003 |
|
O7 .2169 .0449 .2528 .0157 .016 .025 .006 .001 .004 .005 |
|
O8 .3245 .1219 .1190 .013 .009 .010 .018 -.007 -.002 .003 |
|
Wat -.150 .082 .2375 .5 .010 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Arsenoflorencite-(La) |
| |
Mills S J, Kartashov P M, Kampf A R, Raudsepp M |
| |
European Journal of Mineralogy 22 (2010) 613-621 |
|
Arsenoflorencite-(La), a new mineral from the Komi Republic, Russian Federation: |
|
description and crystal structure |
|
Locality: Grubependity Lake cirque, Prepolar Ural, Komi Republic, Russia |
|
_database_code_amcsd 0017090 |
|
7.0316 7.0316 16.5151 90 90 120 R-3m |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
La 0 0 0 .00728 .00815 .00815 .00555 .00408 0 0 |
|
Al .5 0 .5 .0055 .0057 .0044 .0060 .0022 .00004 .0001 |
|
As 0 0 .31492 .00478 .00472 .00472 .00488 .00236 0 0 |
|
O1 0 0 .58543 .0113 .0117 .0117 .0105 .0059 0 0 |
|
O2 .20482 -.20482 -.05460 .0100 .0117 .0117 .0090 .0078 .0005 .0005 |
|
O3 .12273 -.12273 .13701 .0084 .0071 .0071 .0113 .0037 .0008 .0008 |
|
H .194 -.194 .122 .048 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Afmite |
| |
Kampf A R, Mills S J, Rossman G R, Steele I M, Pluth J J, Favreau G |
| |
European Journal of Mineralogy 23 (2011) 269-277 |
|
Afmite, Al3(OH)4(H2O)3(PO4)(PO3OH)*H2O,a new mineral from Fumade, Tarn, France: |
|
description and crystal structure |
|
Locality: Fumade, Tarn, France |
|
T = 298 K |
|
_database_code_amcsd 0018452 |
|
7.386 7.716 11.345 99.773 91.141 115.58 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) |
|
Al1 .1864 .8305 .7126 .026 .031 .008 .035 .004 .004 .011 |
|
Al2 .2134 .4544 .6879 .024 .019 .031 .022 .011 .001 .007 |
|
Al3 .3042 .8575 .2972 .018 .012 .017 .022 .003 .004 .005 |
|
P1 .3282 .1414 .5440 .018 .017 .014 .022 .007 .001 .001 |
|
P2 .0633 .1507 .8565 .027 .022 .027 .029 .008 .006 .005 |
|
O1 .1858 .9718 .5971 .024 .014 .051 .018 .020 .010 .021 |
|
O2 .3240 .0802 .4091 .030 .010 .040 .031 .002 .011 .009 |
|
O3 .5444 .2156 .6007 .031 .048 .017 .034 .019 -.002 .003 |
|
O4 .2677 .3112 .5576 .022 .022 .032 .021 .019 -.011 .013 |
|
O5 .2163 .3095 .8013 .020 .029 .000 .031 .005 .005 .004 |
|
O6 .1041 .9730 .8389 .024 .030 .026 .032 .024 .011 .015 |
|
O7 .8437 .0943 .8169 .016 .010 .017 .032 .009 .016 .020 |
|
OH8 .1061 .2342 .9962 .021 .020 .015 .026 .005 -.001 .005 |
|
OH9 .2352 .6431 .6019 .027 .038 .032 .031 .032 .014 .006 |
|
OH10 .9288 .3042 .6407 .027 .021 .025 .027 .002 .010 .008 |
|
OH11 .1502 .6327 .8078 .022 .015 .013 .035 -.001 .002 .015 |
|
OH12 .4622 .9848 .7763 .034 .013 .030 .037 -.006 .014 -.003 |
|
Wat13 .5098 .6040 .7443 .027 .022 .035 .020 .012 -.003 .001 |
|
Wat14 .8918 .6597 .6523 .026 .018 .005 .038 -.011 .008 .004 |
|
Wat15 .2589 .6128 .1767 .029 .031 .026 .050 .027 .018 .022 |
|
Wat16 .4778 .7673 .9921 .052 .043 .048 .043 .001 .005 .005 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fluorocronite |
| |
Mills S J, Kartashov P M, Gamyanin G N, Whitfield P S, Kern A, |
|
Guerault H, Kampf A R, Raudsepp M |
| |
European Journal of Mineralogy 23 (2011) 695-700 |
|
Fluorocronite, the natural analogue of beta-PbF2, |
|
from the Sakha Republic, Russian Federation |
|
Locality: Kupol’noe deposit, Sarychev range, Sakha Republic, Russian Federation |
|
_database_code_amcsd 0018634 |
|
5.9306 5.9306 5.9306 90 90 90 Fm3m |
|
atom x y z |
|
Pb 0 0 0 |
|
F .25 .25 .25 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Verplanckite |
 |
Kampf A R, Khan A A, Baur W H |
 |
Acta Crystallographica B29 (1973) 2019-2021 |
|
Barium chloride silicate with an open framework: verplanckite |
|
Locality: Esquire No. 7 mine, Big Creek, Fresno County, California, USA |
|
_database_code_amcsd 0009485 |
|
16.398 16.398 7.200 90 90 120 P6/mmm |
|
atom x y z occ Biso |
|
Ba1 .3484 0 0 2.9 |
|
Ba2 .2164 .4328 .5 2.2 |
|
MnX .2606 .5212 0 .694 1.0 |
|
TiX .2606 .5212 0 .256 1.0 |
|
FeX .2606 .5212 0 .050 1.0 |
|
Si .4440 .8880 .274 1.2 |
|
O1 .160 .499 .197 2.3 |
|
O2 .5 0 .206 .9 |
|
O3 .441 .882 .5 8.0 |
|
O4 1/3 2/3 0 .5 3.0 |
|
OH4 1/3 2/3 0 .5 3.0 |
|
Cl1 1/3 2/3 .5 5.0 |
|
Cl2 .142 .284 .118 .3 2.0 |
|
Cl3 .301 0 .5 .6 5.0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Juabite |
 |
Kampf A R, Mills S J |
|   |
Journal of Geosciences 56 (2011) 235-247 |
|
The role of hydrogen in tellurites: crystal structure refinements of juabite, |
|
poughite and rodalquilarite |
|
Locality: Gold Chain mine, Tintic district, Juab County, Utah, USA |
|
_database_code_amcsd 0018499 |
|
8.9925 10.1291 8.9971 102.668 92.490 70.434 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 .5 .5 0 .0174 .0275 .0112 .0096 -.0015 -.0006 .0021 |
|
Cu1 .80847 .79847 .00221 .01053 .0082 .0178 .0067 -.0050 -.00123 .00412 |
|
Cu2 .29631 .84151 .51172 .00956 .0071 .0152 .0086 -.0056 -.00175 .0044 |
|
Cu3 .39218 .50715 .62469 .01284 .0124 .0114 .0135 -.0011 .0011 .0044 |
|
Cu4 .68366 .84877 .62919 .01128 .0077 .0217 .0072 -.0073 -.00098 .0049 |
|
Cu5 -.07412 .79869 .39124 .01257 .0085 .0242 .0073 -.0082 -.00112 .0039 |
|
Te1 .45602 .83827 .84848 .01031 .01015 .01328 .00919 -.00540 .00061 .00333 |
|
Te2 .12971 .83488 .17031 .01521 .01358 .02100 .01315 -.00748 .00011 .00520 |
|
As1 .06582 .77050 .72526 .00865 .00636 .0130 .00751 -.00388 -.00038 .00318 |
|
As2 .57354 .78999 .27256 .00731 .00623 .0102 .00642 -.00332 -.00031 .00284 |
|
O1 .9360 .7964 .1772 .0163 .0098 .0325 .0104 -.0104 -.0028 .0076 |
|
O2 .9955 .8138 .9048 .0173 .0123 .036 .0066 -.0120 -.0002 .0050 |
|
O3 .1835 .8663 .7093 .0134 .0109 .0192 .0120 -.0080 .0002 .0026 |
|
O4 .1208 .8388 .3848 .0154 .0104 .0314 .0097 -.0114 -.0031 .0088 |
|
O5 .6715 .8349 .8369 .0153 .0097 .0315 .0087 -.0091 -.0018 .0090 |
|
O6 .9079 .8216 .6126 .0133 .0077 .0264 .0064 -.0059 -.0009 .0045 |
|
O7 .4697 .8485 .6392 .0143 .0119 .0283 .0072 -.0104 -.0028 .0077 |
|
O8 .3907 .5973 .4521 .0147 .0136 .0145 .0149 -.0028 -.0017 .0043 |
|
H8 .316 .578 .394 .050 |
|
O9 .3879 .8893 .3402 .0112 .0061 .0155 .0122 -.0024 .0002 .0054 |
|
O10 .6056 .8444 .1173 .0126 .0095 .0204 .0100 -.0044 -.0007 .0082 |
|
O11 .5985 .6138 .2261 .0145 .0188 .0111 .0151 -.0060 -.0001 .0047 |
|
O12 .2642 .6526 .1042 .0306 .0201 .028 .032 .0003 .0017 -.0051 |
|
O13 .1627 .5943 .6638 .0207 .0134 .0134 .034 -.0023 .0010 .0052 |
|
O14 .7041 .8183 .4081 .0146 .0083 .0287 .0082 -.0088 -.0015 .0034 |
|
OW15 .0394 .5528 .3541 .0405 .045 .028 .049 -.017 -.010 .005 |
|
H15a -.035 .513 .335 .050 |
|
H15b .088 .544 .439 .050 |
|
OW16 .8644 .5590 .9418 .0489 .048 .024 .067 -.010 -.003 .000 |
|
H16a .786 .533 .965 .050 |
|
H16b .885 .537 .841 .050 |
|
O17 .4873 .6464 .8254 .0182 .0255 .0148 .0173 -.0095 -.0030 .0054 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Poughite |
 |
Kampf A R, Mills S J |
|   |
Journal of Geosciences 56 (2011) 235-247 |
|
The role of hydrogen in tellurites: crystal structure refinements of juabite, |
|
poughite and rodalquilarite |
|
Locality: Tambo mine, Coquimbo Regioin, Chile |
|
_database_code_amcsd 0018500 |
|
9.6967 14.2676 7.8748 90 90 90 P2_1nb |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Fe1 .78997 .01378 .05942 .0119 .0084 .0186 .0087 -.0009 -.0003 -.0001 |
|
Fe2 .80679 .46555 .04731 .0112 .0095 .0145 .0096 -.0004 .0000 -.0010 |
|
Te1 .49972 .40022 .21999 .01141 .0082 .0160 .0100 -.0007 -.0003 -.00041 |
|
Te2 .07929 .09149 .21520 .01157 .0085 .0165 .0097 -.0011 -.0003 .00034 |
|
S1 .71579 .17290 .3354 .0132 .0138 .0132 .0124 .0013 .0034 .0006 |
|
OW1 .8956 .3372 .0717 .0230 .025 .021 .022 .010 .005 .002 |
|
H1a .860 .288 .123 .050 |
|
H1b .950 .322 -.014 .050 |
|
OW2 .3707 .1154 .0282 .0251 .035 .014 .026 -.002 -.012 .002 |
|
H2a .367 .169 -.025 .050 |
|
H2b .423 .117 .120 .050 |
|
O3 .9178 .0193 .2609 .0121 .004 .021 .011 -.004 -.001 .001 |
|
O4 .6851 .4385 .2651 .0106 .008 .017 .007 -.001 .000 -.002 |
|
O5 .4276 .0137 .3607 .0162 .013 .023 .013 .009 .001 .002 |
|
O6 .1447 .0859 .4401 .0127 .008 .022 .008 .004 .002 -.003 |
|
O7 .4414 .4193 .4451 .0176 .017 .026 .010 .003 .007 -.001 |
|
O8 .1707 .4865 .3698 .0169 .011 .028 .012 .001 -.002 .003 |
|
O9 .7196 .0980 .4630 .0174 .019 .020 .014 -.001 -.001 -.001 |
|
O10 .6933 .1330 .1615 .0168 .018 .021 .011 .003 .001 .000 |
|
O11 .8479 .2239 .3382 .0188 .022 .015 .019 -.006 -.001 .001 |
|
O12 .6009 .2352 .3747 .0200 .016 .024 .021 .008 .008 .002 |
|
OW13 .2140 .2845 .2844 .055 .097 .036 .031 -.001 -.022 .003 |
|
H13a .231 .272 .391 .050 |
|
H13b .166 .336 .271 .050 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Rodalquilarite |
 |
Kampf A R, Mills S J |
|   |
Journal of Geosciences 56 (2011) 235-247 |
|
The role of hydrogen in tellurites: crystal structure refinements of juabite, |
|
poughite and rodalquilarite |
|
Locality: Tambo mine, Coquimbo Regioin, Chile |
|
_database_code_amcsd 0018501 |
|
5.1129 6.6481 9.0079 73.347 78.053 76.709 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) |
|
Fe .27611 .85489 .55577 .00733 .00710 .00701 .00800 -.00156 -.00182 -.00139 |
|
Te1 .12008 .34030 .68776 .00723 .00731 .00593 .00782 -.00083 -.00094 -.00117 |
|
Te2 .33841 .16581 .16967 .00894 .00901 .01131 .00728 -.00404 -.00083 -.00208 |
|
O1 .1934 .5929 .5382 .0096 .0151 .0058 .0088 -.0042 -.0034 -.0001 |
|
O2 .3628 .1361 .5839 .0103 .0079 .0090 .0146 -.0027 .0031 -.0063 |
|
O3 .4048 .3169 .8053 .0127 .0146 .0097 .0157 -.0026 -.0071 -.0022 |
|
H3 .449 .441 .792 .031 |
|
O4 .5437 .2849 .2623 .0130 .0177 .0108 .0128 -.0068 -.0080 .0007 |
|
O5 .1128 .0390 .3549 .0088 .0079 .0102 .0070 -.0018 -.0004 -.0003 |
|
O6 .0984 .4276 .1255 .0147 .0186 .0122 .0121 .0024 -.0072 -.0018 |
|
H6 .06 .47 .028 .5 .06 |
|
Cl 0 0 0 .0186 .0193 .0201 .0166 -.0101 -.0044 .0014 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Landesite |
 |
Moore P B, Araki T, Kampf A R |
 |
Mineralogical Magazine 43 (1980) 789-795 |
|
Nomenclature of the phosphoferrite structure type: |
|
refinements of landesite and kryzhanovskite |
|
_database_code_amcsd 0014472 |
|
9.458 10.185 8.543 90 90 90 Pbna |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Mn2+M2 .06251 .10100 .63964 1.31 .00328 .00334 .00474 -.00173 -.00009 .00041 |
|
Fe3+M1 0 0 0 1.13 .00261 .00248 .00491 -.00021 -.00044 -.00016 |
|
P .20733 .10506 .29235 .75 .00121 .00183 .00358 -.00021 .00030 -.00008 |
|
O1 .2155 .2526 .3294 1.11 .00235 .00175 .00612 .00026 .00022 .00004 |
|
O2 .1051 .0378 .4074 1.05 .00165 .00291 .00464 -.00069 .00105 .00036 |
|
O3 .3566 .0444 .3087 1.41 .00168 .00286 .00841 .00061 .00126 .00012 |
|
O4 .1585 .0878 .1227 2.06 .00499 .00778 .00382 -.00306 .00038 -.00080 |
|
Wat1 -.0945 .25 .5 1.85 .00555 .00370 .00700 0 0 -.00099 |
|
Wat2 -.0293 .3322 .1363 1.44 .00217 .00349 .00716 -.00057 -.00014 -.00101 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Kryzhanovskite |
 |
Moore P B, Araki T, Kampf A R |
 |
Mineralogical Magazine 43 (1980) 789-795 |
|
Nomenclature of the phosphoferrite structure type: |
|
refinements of landesite and kryzhanovskite |
|
_database_code_amcsd 0014473 |
|
9.450 10.013 8.179 90 90 90 Pbna |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Mn2+M2 .05105 .11205 .63602 .5 1.40 .00419 .00310 .00543 -.00161 -.00066 -.00047 |
|
Fe3+M2 .05105 .11205 .63602 .5 1.40 .00419 .00310 .00543 -.00161 -.00066 -.00047 |
|
Fe3+M1 0 0 0 1.16 .00200 .00349 .00508 -.00039 -.00044 -.00048 |
|
P .20931 .10344 .28853 .62 .00109 .00122 .00370 -.00005 .00011 .00014 |
|
O1 .2131 .2541 .3291 .99 .00250 .00127 .00588 -.00029 -.00020 -.00020 |
|
O2 .1119 .0320 .4128 .97 .00146 .00205 .00585 -.00030 .00088 .00108 |
|
O3 .3614 .0446 .3033 1.09 .00115 .00286 .00641 .00064 .00049 .00112 |
|
O4 .1573 .0840 .1148 1.15 .00231 .00357 .00443 -.00077 -.0002 -.00146 |
|
Wat1 -.0672 .25 .5 1.68 .00727 .00196 .00615 0 0 .00013 |
|
Wat2 -.0303 .3389 .1358 1.26 .00147 .00243 .00856 -.00053 -.00043 .00149 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Bendadaite |
| |
Kolitsch U, Atencio D, Chukanov N V, Zubkova N V, Menezes L A D, Coutinho J M V, |
|
Birch W D, Schluter J, Pohl D, Kampf A R, Steele I M, Favreau G, Nasdala L, |
|
Mockel S, Giester G, Pushcharovsky D Y |
| |
Mineralogical Magazine 74 (2010) 469-486 |
|
Bendadaite, a new iron arsenate mineral of the arthurite group |
|
Locality: Almerindo mine, Linopolis, Minas Gerais, Brazil |
|
_database_code_amcsd 0015896 |
|
10.200 9.718 5.5432 90 94.05 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) |
|
Fe(1) .0 .0 .0 .948 .01304 .01469 .01264 .01210 -.00285 .00241 -.00171 |
|
Fe(2) .45715 .13679 .33999 .931 .00815 .01042 .00689 .00716 .00032 .00074 .00007 |
|
Al(2) .45715 .13679 .33999 .040 .00815 .01042 .00689 .00716 .00032 .00074 .00007 |
|
As .298182 .426870 .32898 .741 .00792 .00861 .00787 .00738 .00010 .00130 .00012 |
|
P .298182 .426870 .32898 .263 .00792 .00861 .00787 .00738 .00010 .00130 .00012 |
|
O(1) .39899 .48388 .11976 .0122 .0136 .0117 .0116 -.0013 .0025 -.0014 |
|
O(2) .35684 .48686 .59650 .0137 .0166 .0126 .0117 -.0005 -.0010 .0010 |
|
O(3) .15115 .48741 .2615 .0179 .0161 .0207 .0170 .0015 .0028 .0016 |
|
O(4) .29959 .25662 .32143 .0140 .0160 .0125 .0136 .0026 .0007 -.0004 |
|
Oh .54491 .23380 .08027 .0140 .0167 .0130 .0124 .0034 .0033 .0026 |
|
Ow(1) .12925 -.09593 .2979 .0241 .0213 .0304 .0205 -.0039 .0002 -.0015 |
|
Ow(2) .04589 .18779 .1498 .0298 .0248 .0224 .0420 -.0031 .0008 -.0145 |
|
H .586 .176 .999 .039 |
|
H11 .208 .915 .262 .057 |
|
H12 .128 .941 .456 .056 |
|
H21 .118 .211 .226 .061 |
|
H22 .992 .247 .181 .057 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Carlhintzeite |
 |
Kampf A R, Colombo F, Gonzalez del Tanago J |
| |
Mineralogical Magazine 74 (2010) 623-632 |
|
Carlhintzeite, Ca2AlF7*H2O, from the Gigante granitic pegmatite, |
|
Cordoba province, Argentina: description and crystal structure |
|
Locality: Gigante pegmatite, Punilla Department, Cordoba Province, Argentina |
|
_database_code_amcsd 0017800 |
|
9.4227 6.9670 9.2671 90.974 104.802 90.026 C-1 |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca1 .58447 .99988 .35406 .0124 .0111 .0142 .0121 .0001 .0035 .0003 |
|
Ca2 .15860 .00061 .20308 .0132 .0111 .0156 .0125 .0004 .0024 .0009 |
|
Al1 .5 0 0 .0118 .0120 .0153 .0082 -.0004 .0028 .0001 |
|
Al2 0 0 .5 .0104 .0082 .0137 .0096 .0009 .0028 .0009 |
|
F1 .3830 .0293 .1242 .0234 .0166 .0413 .0136 -.0004 .0063 .0000 |
|
F2 .6195 .1794 .1143 .0192 .0187 .0180 .0187 -.0001 .0010 -.0020 |
|
F3 .6020 .8208 .1247 .0178 .0226 .0137 .0145 .0013 .0002 .0008 |
|
F4 .8251 .0012 .3695 .0219 .0099 .0401 .0147 .0016 .0015 .0015 |
|
F5 .5654 .6760 .3878 .0169 .0235 .0136 .0173 -.0009 .0119 .0015 |
|
F6 .5626 .3232 .3821 .0175 .0235 .0158 .0162 -.0005 .0106 -.0003 |
|
F7 .3564 .9934 .3963 .0186 .0111 .0323 .0122 .0001 .0024 .0018 |
|
OWat .8927 .9824 .0868 .0224 .0161 .0332 .0176 -.0001 .0036 .0019 |
|
H1 .852 .091 .104 .050 |
|
H2 .845 .882 .108 .050 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Hydroniumpharmacosiderite |
| |
Mills S J, Kampf A R, Williams P A, Leverett P, Poirier G, Raudsepp M, Francis C A |
| |
Mineralogical Magazine 74 (2010) 863-869 |
|
Hydroniumpharmacosiderite, a new member of the pharmacosiderite supergroup |
|
from Cornwall, UK: structure and description |
|
Locality: Cornwall, UK |
|
_database_code_amcsd 0017882 |
|
7.9587 7.9587 7.9587 90 90 90 P-43m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K .5 .0 .5 .13 .046 |
|
Fe .14345 .14345 .14345 .0123 .0123 .0123 .0123 -.0016 -.0016 -.0016 |
|
As .5 .0 .0 .0208 .0070 .0277 .0277 0 0 0 |
|
O1 .1245 .1245 .3837 .0265 .0338 .0338 .0118 -.008 -.0004 -.0004 |
|
O2 .8857 .8857 .8857 .0116 .0116 .0116 .0116 -.0023 -.0023 -.0023 |
|
Wat3 .5 .106 .5 .25 .050 |
|
Wat4 .693 .693 .693 .25 .047 |
|
H3O4 .693 .693 .693 .45 .047 |
|
O4 .693 .693 .693 .15 .047 |
|
H2 .8283 .8283 .8283 .014 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Munakataite |
| |
Kampf A R, Mills S J, Housley R M |
| |
Mineralogical Magazine 74 (2010) 991-998 |
|
The crystal structure of munakataite, Pb2Cu2(Se4+O3)(SO4)(OH)4, |
|
from Otto Mountain, San Bernardino County, California, USA |
|
Locality: Otto Mountain, San Bernardino County, California, USA |
|
_database_code_amcsd 0018306 |
|
9.802 5.675 9.281 90 102.443 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) |
|
Pb1 .31694 .25 .41854 .976 .0219 .0208 .0198 .0232 0 .0008 0 |
|
Pb2 .33579 .25 .97549 .958 .0329 .0195 .0331 .0436 0 .0010 0 |
|
Cu .9886 -.0002 .24421 .947 .0148 .0221 .0079 .0137 -.0011 .0024 .0001 |
|
Se .3597 .75 .2215 .85 .0174 .0190 .0146 .0191 0 .0054 0 |
|
S .3597 .75 .2215 .15 .0174 .0190 .0146 .0191 0 .0054 0 |
|
S .3349 .75 .6883 .0172 .016 .010 .026 0 .006 0 |
|
O11 .376 .75 .0476 .045 .064 .049 .026 0 .020 0 |
|
O12 .2514 .5148 .2152 .023 .019 .021 .027 -.002 .003 .003 |
|
O21 .4828 .75 .7514 .028 .019 .039 .027 0 .009 0 |
|
O22 .3154 .75 .5248 .035 .041 .062 .000 0 .001 0 |
|
O23 .2690 .963 .7326 .031 .036 .026 .031 .008 .006 .006 |
|
OH1 .0260 .75 .3883 .018 .017 .014 .019 0 -.004 0 |
|
H1 .119 .75 .40 .050 |
|
OH2 .0775 .25 .3780 .016 .023 .016 .008 0 .000 0 |
|
H2 .06 .25 .470 .050 |
|
OH3 .0529 .75 .8975 .019 .007 .021 .023 0 -.009 0 |
|
H3 .141 .75 .95 .050 |
|
OH4 .0881 .25 .8924 .019 .029 .024 .002 0 -.004 0 |
|
H4 .07 .25 .984 .050 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Iangreyite |
| |
Mills S J, Kampf A R, Sejkora J, Adams P M, Birch W D, Plasil J |
| |
Mineralogical Magazine 75 (2011) 327-336 |
|
Iangreyite: a new secondary phosphate mineral closely related to perhamite |
|
Locality: Silver Coin mine, Nevada, USA |
|
_database_code_amcsd 0018377 |
|
6.988 6.988 16.707 90 90 120 P321 |
|
atom x y z occ |
|
Ca1 0 0 0 |
|
Ca2 2/3 1/3 .316 .5 |
|
Al1 .166 1/3 .835 |
|
Al2 0 0 .5 |
|
P1 2/3 1/3 .020 |
|
P2 0 0 .295 |
|
O1 .429 .214 .052 |
|
O2 .240 .120 .268 |
|
O3 0 0 .389 |
|
OH1 1/3 2/3 .070 |
|
OH2 .253 0 .5 |
|
OH3 .126 .252 .131 |
|
OH4 .914 .457 .192 |
|
Wat1 1/3 2/3 .250 |
|
Wat2 .030 .515 .402 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Anorpiment |
| |
Kampf A R, Downs R T, Housley R M, Jenkins R A, Hyrsl J |
| |
Mineralogical Magazine 75 (2011) 2857-2867 |
|
Anorpiment, As2S3, the triclinic dimorph of orpiment |
|
Locality: Palomo mine, Castrovirreyna Province, Huancavelica Department, Peru |
|
_database_code_amcsd 0018526 |
|
5.7577 8.7169 10.2682 78.152 75.817 89.861 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) |
|
As1 .39108 .36238 .67225 .02442 .0243 .0206 .0277 -.00155 -.00473 -.00577 |
|
As2 .81064 .17527 .83715 .02433 .0265 .0212 .0283 .00289 -.00749 -.01095 |
|
As3 .37392 .67873 .83354 .02455 .0268 .0210 .0286 .00398 -.00738 -.01117 |
|
As4 .93519 .86377 .66860 .02401 .0267 .0201 .0271 .00446 -.00934 -.00593 |
|
S1 .90075 .92003 .87870 .0284 .0382 .0220 .0268 .0064 -.0107 -.0060 |
|
S2 .49936 .11754 .75544 .0304 .0245 .0219 .0492 .0035 -.0131 -.0124 |
|
S3 .75475 .61916 .74806 .0300 .0239 .0211 .0484 .0032 -.0105 -.0133 |
|
S4 .05571 .27458 .62594 .0271 .0284 .0279 .0273 .0003 -.0102 -.0070 |
|
S5 .31075 .77483 .62295 .0275 .0245 .0290 .0283 .0037 -.0047 -.0065 |
|
S6 .24319 .42417 .88062 .0290 .0358 .0232 .0264 -.0036 -.0044 -.0058 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Auriacusite |
 |
Mills S J, Kampf A R, Poirier G, Raudsepp M, Steele I M |
|   |
Mineralogy and Petrology 99 (2010) 113-120 |
|
Auriacusite, Fe3+Cu2+AsO4O, the first M3+ member of the olivenite group, |
|
from the Black Pine mine, Montana, USA |
|
Locality: Black Pine mine, Montana, USA |
|
_database_code_amcsd 0014650 |
|
8.6235 8.2757 5.9501 90 90 90 Pnnm |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
FeM .1188 .1373 .5 .55 .0157 .0089 .0064 .0318 .0000 0 0 |
|
CuM .1188 .1373 .5 .45 .0157 .0089 .0064 .0318 .0000 0 0 |
|
Cu 0 .5 .2491 .0054 .0081 .0059 .0021 .0024 0 0 |
|
As .2510 .2630 0 .0054 .0055 .0043 .0064 .0006 0 0 |
|
O1A .401 .396 -.051 .25 .001 |
|
O1B .387 .404 .078 .25 .001 |
|
O2 .0827 .3667 0 .0056 |
|
O3 .2670 .1480 .231 .026 |
|
O4 -.0971 .6243 .5 .0035 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Plumboselite |
| |
Kampf A R, Mills S J, Pinch W W |
|   |
Mineralogy and Petrology 101 (2011) 75-80 |
|
Plumboselite, Pb3O2(SeO3), a new oxidation-zone mineral from Tsumeb, Namibia |
|
Locality: Tsumeb, Namibia |
|
_database_code_amcsd 0018379 |
|
10.5384 10.7452 5.7577 90 90 90 Cmc2_1 |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Pb1 .0 .8816 .814 .0204 .0197 .0162 .025 .0 .0 -.007 |
|
Pb2 .24794 .11233 .8125 .0199 .0200 .0207 .0190 -.0053 .006 .002 |
|
Se .5 .8698 .8652 .024 .000 .032 .041 .0 .0 .001 |
|
O1 .138 1.000 .048 .029 |
|
O2 .5 .723 .765 .015 |
|
O3 .624 .930 .717 .028 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Schieffelinite |
 |
Kampf A R, Mills S J, Housley R M, Rumsey M S, Spratt J |
| |
American Mineralogist 97 (2012) 212-219 |
|
Lead-tellurium oxysalts from Otto Mountain near Baker, California: |
|
VII. Chromschieffelinite, Pb10Te6O20(OH)14(CrO4)(H2O)5, |
|
the chromate analog of schieffelinite |
|
Locality: Otto Mountain near Baker, California, USA |
|
_database_code_amcsd 0018765 |
|
9.6581 19.5833 10.5027 90 90 90 C222_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) |
|
Pb1 .5 .73650 .25 .0318 .0276 .0239 .0440 .000 .0057 .000 |
|
Pb2 .85073 .65799 .37439 .02931 .0267 .0246 .0366 -.0003 .0054 -.0003 |
|
Pb3 .78502 .84797 .49090 .03594 .0603 .0240 .0235 -.0046 -.0084 .0030 |
|
Te1 .5 .55838 .25 .0198 .0258 .0174 .0164 .000 .0006 .000 |
|
Te2 .84780 .79060 .15087 .0179 .0164 .0193 .0179 -.0008 -.0018 .0005 |
|
S .0640 .5036 .4652 .25 .044 |
|
O1 .6317 .6271 .2089 .024 .027 .022 .023 -.005 -.001 .012 |
|
OH2 .5713 .5540 .4240 .029 .039 .027 .022 -.004 -.006 -.001 |
|
OH3 .3724 .4866 .2976 .039 .043 .034 .041 -.020 -.003 -.010 |
|
O4 .9163 .7005 .1304 .023 .013 .025 .030 -.003 .000 .002 |
|
O5 .8153 .7347 .5610 .021 .015 .029 .019 -.005 .004 .003 |
|
O6 .7653 .7637 .3071 .023 .029 .026 .015 .004 -.005 .001 |
|
O7 .5580 .6813 .4976 .5 .024 .026 .029 .018 .000 -.002 -.003 |
|
OH7 .5580 .6813 .4976 .5 .024 .026 .029 .018 .000 -.002 -.003 |
|
O8 0 .8279 .25 .029 .020 .021 .046 .000 -.022 .000 |
|
OH9 .7676 .8815 .1632 .026 .021 .022 .037 .004 -.002 .004 |
|
O10 .214 .5 .5 .5 .067 |
|
O11 .488 .9372 .045 .5 .19 |
|
O12 .046 .526 .329 .25 .10 |
|
Wat1 -.114 .5 .5 .5 .14 |
|
Wat2 .482 .8803 .179 .5 .055 |
|
Wat3 .097 .534 .360 .5 .112 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Chromschieffelinite |
| |
Kampf A R, Mills S J, Housley R M, Rumsey M S, Spratt J |
| |
American Mineralogist 97 (2012) 212-219 |
|
Lead-tellurium oxysalts from Otto Mountain near Baker, California: |
|
VII. Chromschieffelinite, Pb10Te6O20(OH)14(CrO4)(H2O)5, |
|
the chromate analog of schieffelinite |
|
Locality: Otto Mountain near Baker, California, USA |
|
_database_code_amcsd 0018766 |
|
9.6646 19.4962 10.5101 90 90 90 C222_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) |
|
Pb1 .5000 .73669 .2500 .02636 .0210 .0188 .0393 .000 .0048 .000 |
|
Pb2 .85091 .65778 .37381 .02338 .0188 .0200 .0314 -.0010 .0048 .0018 |
|
Pb3 .78519 .84795 .49042 .03141 .0551 .0189 .0202 -.0062 -.0102 .0037 |
|
Te1 .5000 .55833 .2500 .0149 .0183 .0134 .0131 .000 -.0005 .000 |
|
Te2 .84797 .79074 .15086 .01206 .0096 .0139 .0127 -.0005 -.0015 .0003 |
|
Cr .0584 .5030 .4555 .25 .050 |
|
O1 .6286 .6271 .2077 .0170 .020 .011 .020 .006 .003 .000 |
|
OH2 .5707 .5544 .4228 .028 .032 .029 .023 -.003 -.010 -.002 |
|
OH3 .3728 .4860 .2998 .034 .053 .013 .036 -.014 -.001 -.002 |
|
O4 .9161 .6999 .1306 .0181 .010 .014 .030 .005 -.001 .004 |
|
O5 .8150 .7336 .5598 .0152 .026 .005 .014 .003 .008 .003 |
|
O6 .7655 .7640 .3088 .0137 .010 .020 .011 .000 .004 .004 |
|
O7 .5579 .6818 .4978 .5 .023 .023 .023 .022 -.002 -.011 -.002 |
|
OH7 .5579 .6818 .4978 .5 .023 .023 .023 .022 -.002 -.011 -.002 |
|
O8 .0000 .8272 .2500 .021 .008 .021 .033 .000 -.011 .000 |
|
OH9 .7667 .8820 .1633 .0204 .016 .022 .023 .003 -.004 .004 |
|
O10 .221 .5000 .5000 .5 .072 |
|
O11 .516 .9325 .050 .5 .130 |
|
O12 .054 .538 .313 .25 .033 |
|
Wat1 -.139 .5000 .5000 .5 .14 |
|
Wat2 .480 .8803 .176 .5 .078 |
|
Wat3 .124 .532 .386 .5 .102 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Kapundaite |
| |
Mills S J, Birch W D, Kampf A R, Christy A G, Pluth J J, Pring A, |
|
Raudsepp M, Chen Y S |
| |
American Mineralogist 95 (2010) 754-760 |
|
Kapundaite, (Na,Ca)2Fe3+4(PO4)4(OH)3·5H2O, a new phosphate species from |
|
Toms quarry, South Australia: Description and structural |
|
relationship to melonjosephite |
|
Locality: Toms quarry, South Australia |
|
_database_code_amcsd 0018799 |
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6.317 7.698 9.768 105.53 99.24 90.09 P-1 |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Na .439 .7184 .4298 .67 .056 .12 .016 .028 .004 .009 .008 |
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Ca .439 .7184 .4298 .33 .056 .12 .016 .028 .004 .009 .008 |
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Fe1 .5 0 0 .013 .02 .018 .004 -.009 .002 .003 |
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Fe2 0 0 0 .017 .03 .017 .003 .003 .002 .004 |
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Fe3 .7976 .6972 .1730 .024 .02 .016 .033 -.003 .010 .003 |
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P1 .177 .8785 .7118 .015 .01 .013 .026 .005 .009 .005 |
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P2 .278 .6868 .1002 .021 .02 .012 .033 .002 .006 .010 |
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O1 .832 .940 .323 .021 .02 .020 .024 -.010 -.003 .008 |
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O2 .157 .723 .572 .023 .03 .015 .028 .001 .014 -.001 |
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O3 .011 .143 .204 .034 .06 .019 .029 .002 .018 .007 |
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O4 .414 .861 .802 .046 .09 .019 .026 -.025 -.007 .004 |
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O5 .482 .686 .191 .019 |
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O6 .114 .683 .195 .020 |
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O7 .771 .463 .038 .024 |
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O8 .262 .871 .059 .017 .01 .018 .031 .002 .009 .012 |
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OH .242 .165 .976 .027 .03 .029 .027 -.013 -.003 .013 |
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Wat1 .831 .611 .372 .035 .07 .024 .023 .002 .007 .019 |
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Wat2 .351 .394 .349 .05 .08 .044 .036 -.02 .005 .004 |
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Wat3 .669 .979 .584 .06 .11 .011 .054 .02 .005 .013 |
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Metanatroautunite |
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Mills S J, Kampf A R, Birch W D |
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American Mineralogist 97 (2012) 735-738 |
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The crystal structure of metanatroautunite, Na[(UO2)(PO4)](H2O)3, |
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from the Lake Boga Granite, Victoria, Australia |
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Note: z-coordinate of U changed from .40959 to match reported bond lengths |
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Locality: Lake Boga Granite, Victoria, Australia |
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_database_code_amcsd 0018862 |
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6.9935 6.9935 17.5101 90 90 90 *P4/ncc |
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.25 -.25 0 |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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U .25 .25 .04959 .0197 .0145 .0145 .0300 0 0 0 |
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P .75 .25 0 .0187 .0092 .0092 .0377 0 0 0 |
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O1 .25 .25 .1508 .034 .031 .031 .040 0 0 0 |
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O2 .25 .25 .9468 .033 .030 .030 .037 0 0 0 |
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O3 .7191 .0760 .4478 .0344 .043 .012 .047 -.003 -.003 -.000 |
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Na4 .173 .988 .3110 .25 .143 |
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Wat4 .173 .988 .3110 .75 .143 |
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Falsterite |
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Kampf A R, Mills S J, Simmons W B, Nizamoff J W, Whitmore R W |
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American Mineralogist 97 (2012) 496-502 |
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Falsterite, Ca2MgMn2+2(Fe2+0.5Fe3+0.5)4Zn4(PO4)8(OH)4(H2O)14, a new secondary |
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phosphate mineral from the Palermo No. 1 pegmatite, North Groton, New Hampshire |
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Locality: Palermo No. 1 pegmatite, North Groton, New Hampshire |
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_database_code_amcsd 0018881 |
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6.3868 21.260 15.365 90 90.564 90 P2_1/c |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca .5368 .3734 .6401 .051 .051 .056 .046 -.004 .001 .000 |
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Mg .293 .0428 .5181 .464 .041 .023 .054 .047 .010 .018 .014 |
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Zn .293 .0428 .5181 .036 .041 .023 .054 .047 .010 .018 .014 |
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Mn .0451 .3486 .3910 .0533 .045 .066 .049 .000 .008 -.004 |
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Fe1 .2933 .24592 .2653 .0454 .043 .051 .042 .004 .004 -.004 |
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Fe2 .7899 .2456 .2650 .0473 .047 .050 .045 .000 .002 .001 |
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Zn1 .2931 .18160 .5218 .0561 .045 .082 .042 .005 .002 -.002 |
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Zn2 .7949 .18224 .5227 .0498 .048 .053 .048 .003 .001 -.003 |
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P1 .0410 .2979 .5927 .052 .036 .063 .059 .001 .001 -.004 |
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P2 .5452 .2914 .4394 .047 .045 .049 .048 .002 .020 .003 |
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P3 .0352 .1305 .3659 .049 .055 .052 .041 -.005 .017 .003 |
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P4 .5490 .1327 .6749 .052 .063 .050 .044 .000 -.014 .008 |
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O1 .035 .3514 .5282 .048 .055 .029 .058 .012 .011 .030 |
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O2 .238 .1993 .1496 .046 .027 .058 .052 -.012 .000 .022 |
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O3 .839 .2045 .1485 .045 .033 .053 .048 -.017 .005 .002 |
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O4 .043 .2323 .5431 .037 .034 .047 .030 -.009 .013 -.006 |
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O5 .555 .3510 .4912 .049 .018 .073 .057 -.002 -.004 .003 |
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O6 .742 .2857 .3839 .039 .020 .075 .023 .000 -.004 .016 |
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O7 .543 .2318 .4964 .050 .030 .050 .069 .006 -.017 -.011 |
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O8 .338 .2870 .3810 .052 .015 .058 .081 .005 -.005 -.006 |
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O9 .837 .1323 .4209 .056 .08 .058 .028 -.018 -.008 .008 |
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O10 .032 .0753 .3023 .071 .10 .047 .061 -.005 -.034 -.008 |
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O11 .045 .1944 .3197 .052 .042 .050 .063 .000 .012 .032 |
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O12 .232 .1246 .4285 .066 .073 .071 .054 .008 -.015 -.009 |
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O13 .373 .1265 .6114 .073 .041 .075 .10 -.004 -.030 -.003 |
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O14 .544 .0826 .7455 .052 .043 .054 .060 .018 .013 -.013 |
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O15 .541 .2005 .7142 .067 .09 .063 .045 .015 .022 -.003 |
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O16 .762 .1294 .6212 .064 .09 .064 .043 .029 .017 .017 |
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OH17 .539 .1846 .2777 .043 .045 .027 .056 .003 -.013 -.001 |
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OH18 .038 .3076 .2585 .050 .073 .047 .029 .015 .000 -.005 |
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Wat19 .247 .4291 .3607 .061 .103 .033 .048 -.005 .028 .015 |
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Wat20 .786 .4237 .3902 .058 .040 .077 .055 -.008 -.007 -.011 |
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Wat21 .425 .4516 .7457 .078 .091 .051 .093 -.006 .027 .006 |
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Wat22 .347 .4546 .5593 .073 .085 .052 .083 .009 -.007 .012 |
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Wat23 .854 .4405 .6465 .063 .054 .060 .077 -.006 .029 .000 |
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Wat24 .426 .9660 .5684 .090 .070 .063 .14 .004 .031 -.016 |
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Wat25 .048 .0363 .596 .5 .052 .03 .04 .08 .00 -.03 .01 |
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Wat26 .146 .9872 .423 .5 .054 .09 .06 .01 .03 .01 -.02 |
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Matulaite |
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Kampf A R, Mills S J, Rumsey M S, Spratt J, Favreau G |
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Mineralogical Magazine 76 (2012) 517-534 |
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The crystal structure determination and redefinition of |
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matulaite, Fe3+Al7(PO4)4(PO3OH)2(OH)8(H2O)8*8H2O |
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Locality: Bachman mine, Hellertown, Northampton County, Pennsylvania, USA |
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_database_code_amcsd 0018885 |
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10.604 16.608 20.647 90 98.848 90 P2_1/n |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Fe .5012 .84428 .24566 .71 .0372 .030 .025 .059 -.0006 .0158 -.0004 |
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Al .5012 .84428 .24566 .29 .0372 .030 .025 .059 -.0006 .0158 -.0004 |
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Al1 .3876 .0873 .3597 .0383 .026 .028 .062 -.007 .011 -.002 |
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Al2 .2319 .0902 .2028 .0353 .024 .033 .050 -.007 .009 .004 |
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Al3 .1005 .9439 .1514 .0448 .040 .038 .060 -.001 .017 .004 |
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Al4 -.0023 .8432 .2441 .0442 .036 .030 .071 .000 .021 .001 |
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Al5 .8992 .7481 .3413 .0419 .036 .031 .059 -.002 .008 -.010 |
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Al6 .7292 .0974 .2053 .0334 .028 .020 .056 -.002 .019 .001 |
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Al7 .6080 .5915 .1391 .0387 .027 .029 .065 .001 .021 .000 |
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P1 .3633 .6817 .1786 .0410 .031 .039 .057 .000 .021 .002 |
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P2 .6361 .0028 .3210 .0445 .033 .031 .072 .001 .015 .000 |
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P3 .2521 .9354 .2955 .0438 .038 .041 .055 -.008 .015 -.002 |
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P4 .7467 .7492 .1964 .0397 .034 .035 .053 -.003 .016 -.006 |
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P5 .6318 .7209 .3690 .0436 .031 .039 .062 .001 .012 .002 |
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P6 .3725 .9736 .1266 .0434 .036 .038 .060 .002 .019 -.002 |
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O1 .3686 .7705 .1970 .041 .044 .001 .077 .007 .004 .003 |
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O2 .4709 .6614 .1386 .044 .035 .029 .069 -.008 .016 -.005 |
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O3 .3784 .6267 .2398 .038 .037 .047 .032 -.011 .013 .006 |
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O4 .2331 .6645 .1354 .037 .030 .027 .055 -.002 .013 -.002 |
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O5 .6341 .9159 .2977 .037 .029 .028 .055 -.006 .006 -.002 |
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O6 .7643 .0173 .3651 .040 .033 .031 .054 .005 .004 .003 |
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O7 .6205 .0618 .2631 .044 .037 .039 .057 .012 .007 .015 |
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O8 .5281 .0186 .3613 .045 .018 .037 .080 .001 .014 .012 |
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O9 .3699 .8847 .2948 .044 .015 .056 .067 .006 .021 .001 |
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O10 .2708 .9990 .3492 .040 .038 .033 .050 -.004 .012 -.003 |
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O11 .1342 .8855 .3046 .045 .040 .050 .048 -.009 .017 -.007 |
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O12 .2200 .9788 .2285 .039 .034 .027 .061 -.012 .023 -.005 |
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O13 .8613 .7966 .1844 .048 .038 .031 .080 -.014 .020 .009 |
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O14 .6300 .8041 .1957 .047 .047 .024 .078 .007 .031 -.003 |
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O15 .7227 .6816 .1450 .046 .035 .040 .067 -.014 .016 -.004 |
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O16 .7807 .7094 .2660 .044 .045 .045 .042 -.008 .005 .003 |
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O17 .5406 .7605 .3166 .041 .028 .017 .078 .003 .011 .006 |
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O18 .7611 .7638 .3867 .042 .036 .019 .073 .000 .019 -.006 |
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O19 .6514 .6320 .3513 .041 .045 .000 .081 .002 .026 .001 |
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Oh20 .5710 .7251 .4327 .043 .032 .036 .068 -.001 .025 -.002 |
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H20 .497 .706 .442 .052 |
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O21 .4658 .9275 .1770 .048 .048 .031 .065 .004 .010 -.012 |
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O22 .3512 .0605 .1473 .044 .043 .034 .060 .011 .017 -.001 |
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O23 .2430 .9307 .1086 .045 .029 .046 .064 .001 .018 -.001 |
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Oh24 .4341 .9799 .0634 .057 .053 .049 .074 .010 .028 -.011 |
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H24 .497 .952 .050 .068 |
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Oh25 .3766 .1063 .2680 .040 .039 .010 .071 -.010 .010 .003 |
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H25 .405 .156 .263 .048 |
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Oh26 .0935 .0554 .1400 .045 .053 .035 .051 -.010 .019 -.007 |
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H26 .105 .052 .098 .054 |
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Oh27 -.0349 .9436 .2045 .049 .019 .032 .103 .006 .027 .042 |
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H27 -.115 .926 .207 .059 |
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Oh28 1.0297 .7445 .2869 .041 .023 .034 .063 .004 -.008 .001 |
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H28 1.079 .704 .306 .050 |
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Oh29 .6264 .5779 .2317 .043 .031 .021 .082 .004 .023 -.001 |
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H29 .559 .606 .239 .052 |
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Oh30 -.1037 .8554 .3109 .042 .045 .022 .061 -.001 .013 -.001 |
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H30 -.165 .893 .296 .050 |
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Oh31 .9029 .6380 .3564 .045 .038 .031 .068 -.011 .014 .008 |
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H31 .975 .609 .363 .054 |
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Oh32 .1051 .8351 .1783 .037 .021 .045 .053 -.004 .030 .001 |
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H32 .176 .809 .169 .044 |
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OW33 .5830 .5976 .0447 .049 .044 .042 .060 -.006 .008 -.009 |
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H33A .636 .626 .022 .059 |
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H33B .529 .571 .014 .059 |
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OW34 .4867 .5005 .1236 .048 .043 .033 .070 -.004 .018 .013 |
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H34A .409 .478 .127 .057 |
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H34B .545 .471 .150 .057 |
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OW35 .5149 .1740 .3832 .057 .039 .040 .096 -.012 .028 -.025 |
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H35A .594 .169 .373 .068 |
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H35B .494 .226 .381 .068 |
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OW36 .2286 .2019 .1676 .050 .051 .045 .057 .013 .012 .002 |
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H36A .150 .207 .145 .061 |
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H36B .247 .149 .171 .061 |
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OW37 1.0154 .7719 .4166 .056 .060 .036 .073 -.003 .012 .006 |
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H37A 1.068 .814 .425 .068 |
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H37B 1.017 .745 .454 .068 |
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OW38 -.0100 .9234 .0741 .060 .064 .032 .082 .003 .005 -.002 |
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H38A -.031 .968 .051 .072 |
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H38B -.007 .882 .048 .072 |
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OW39 .3895 .0707 .4530 .045 .049 .028 .059 -.005 .012 -.015 |
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H39A .450 .083 .487 .054 |
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H39B .400 .018 .444 .054 |
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OW40 .7240 .9903 .1641 .050 .044 .021 .090 .004 .024 -.006 |
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H40A .656 .961 .173 .060 |
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H40B .776 .955 .148 .060 |
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OW41 .7157 .7145 .5412 .073 .079 .060 .087 .001 .035 .002 |
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H41A .693 .736 .578 .088 |
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H41B .797 .730 .540 .088 |
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OW42 .8197 .9077 .4752 .066 .044 .078 .086 .007 .036 .013 |
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H42A .736 .912 .478 .080 |
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H42B .826 .915 .432 .080 |
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OW43 .5305 .1139 .5613 .067 .047 .078 .077 .009 .017 .007 |
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H43A .538 .099 .604 .080 |
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H43B .611 .126 .554 .080 |
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OW44 .7394 .6636 -.0272 .081 .068 .088 .088 .019 .018 .016 |
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H44A .741 .671 -.070 .097 |
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H44B .77 .614 -.016 .097 |
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OW45 .9833 .7215 .5366 .098 .124 .057 .121 -.030 .038 -.015 |
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H45A 1.047 .685 .545 .118 |
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H45B .911 .695 .522 .118 |
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OW46 -.1771 .0363 .0331 .085 .086 .072 .093 .004 .000 .012 |
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H46A -.261 .038 .039 .102 |
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H46B -.176 .062 -.007 .102 |
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OW47 -.1552 .8153 -.0063 .092 .080 .075 .111 -.020 -.010 -.019 |
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H47A -.19 .863 .004 .110 |
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H47B -.13 .788 .031 .110 |
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OW48 .352 .0974 -.0218 .113 .123 .089 .126 .029 .020 .003 |
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H48A .34 .074 -.062 .135 |
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H48B .38 .057 .008 .135 |
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