|
Gelosaite |
| |
Orlandi P, Demartin F, Pasero M, Leverett P, Williams P A, Hibbs D E |
| |
American Mineralogist 96 (2011) 268-273 |
|
Gelosaite, BiMo6+(2-5x)Mo5+6xO7(OH)·H2O (0<=x<=0.4), a new mineral from |
|
Su Senargiu (CA), Sardinia, Italy, and a second occurrence from Kingsgate, |
|
New England, Australia |
|
Locality: Su Senargiu, Sardinia, Italy |
|
_database_code_amcsd 0018668 |
|
5.8505 9.0421 13.9173 90 100.42 90 P2_1/n |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Bi .403568 .416894 .106492 .01002 .01043 .00849 .00829 .00045 .00220 .00109 |
|
Mo1 .86623 .10399 .157185 .00901 .01168 .00809 .00835 .00116 .00261 .00165 |
|
Mo2 .63232 .22137 .340837 .00927 .0218 .0222 .0162 .0025 .0048 .0017 |
|
Mo3 .6321 -.0443 .3396 .028 .0124 .0210 .0161 .0103 .0042 .0019 -.0006 |
|
Mo4 1.0937 .2597 .3943 .074 .0204 .0150 .0170 .0236 -.0025 .0049 .0074 |
|
Ow .9606 .4172 .34252 .0199 .0177 .0110 .0109 .0055 .0049 .0023 |
|
O2 .7548 .09301 .03404 .0159 .0289 .0140 .0109 .0106 .0042 .0045 |
|
O3 .3999 .10589 .33664 .0184 .0139 .0127 .0129 -.0079 .0063 -.0060 |
|
O4 .6397 .24002 .19069 .0129 .0121 .0092 .0137 .0008 .0020 -.0008 |
|
O5 .7450 .2435 .46385 .0179 .0145 .0112 .0084 .0047 .0019 .0044 |
|
Oh .8231 -.08846 .48180 .0127 .0202 .0199 .0201 -.0070 .0026 .0018 |
|
O7 1.0121 -.08756 .18310 .0117 |
|
O8 .8649 .08618 .31149 .0114 |
|
O9 1.1009 .21738 .16456 .0202 |
|
H(1w) 1.028 .426 .303 .048 |
|
H(2w) 1.041 .428 .393 .034 |
|
H3 .7578 -.1696 .4894 .050 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Gillardite |
| |
Clissold M E, Leverett P, Williams P A, Hibbs D E, Nickel E H |
| |
The Canadian Mineralogist 45 (2007) 317-320 |
|
The structure of gillardite, the Ni-analogue of herbertsmithite, from |
|
Widgiemooltha, Western Australia |
|
Locality: 132N deposit, Widgiemooltha, Australia |
|
_database_code_amcsd 0006139 |
|
6.8364 6.8364 13.8459 90 90 120 R-3m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Cu2 .5 0 0 .0054 .0053 .0049 .0058 .00245 .00055 .0011 |
|
Ni1 0 0 .5 .903 .0043 .0049 .0049 .0031 .00245 0 0 |
|
Cu1 0 0 .5 .081 .0043 .0049 .0049 .0031 .00245 0 0 |
|
Co1 0 0 .5 .012 .0043 .0049 .0049 .0031 .00245 0 0 |
|
Fe1 0 0 .5 .004 .0043 .0049 .0049 .0031 .00245 0 0 |
|
Cl 0 0 .1933 .0073 .0080 .0080 .0059 .0040 0 0 |
|
O .2070 -.2070 .0624 .0073 .0067 .0067 .0087 .0034 .0011 -.0011 |
|
H .1440 -.1440 .0858 .022 |
|
|
| 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
|
| |
|
Gagarinite-(Ce) |
| |
Sciberras M J, Leverett P, Williams P A, Hibbs D E, Roberts A C, Grice J D |
| |
The Canadian Mineralogist 49 (2011) 1111-1114 |
|
The single-crystal X-ray structure of gagarinite-(Ce) |
|
Locality: Strange Lake deposit, Quebec-Labrador, Canada |
|
_database_code_amcsd 0018644 |
|
6.0861 6.0861 3.6810 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) |
|
Ce 2/3 1/3 .25 .275 .006 .007 .007 .003 .0035 0 0 |
|
La 2/3 1/3 .25 .143 .006 .007 .007 .003 .0035 0 0 |
|
Nd 2/3 1/3 .25 .099 .006 .007 .007 .003 .0035 0 0 |
|
Y 2/3 1/3 .25 .044 .006 .007 .007 .003 .0035 0 0 |
|
Gd 2/3 1/3 .25 .033 .006 .007 .007 .003 .0035 0 0 |
|
Sm 2/3 1/3 .25 .011 .006 .007 .007 .003 .0035 0 0 |
|
Dy 2/3 1/3 .25 .006 .006 .007 .007 .003 .0035 0 0 |
|
Ca 2/3 1/3 .25 .45 .006 .007 .007 .003 .0035 0 0 |
|
Na 0 0 0 .45 .012 .002 .002 .033 .001 0 0 |
|
F .3046 .3890 .25 .008 .008 .008 .008 .004 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
|
| |
|
Lavendulan |
|
Giester G, Kolitsch U, Leverett P, Turner P, Williams P A |
| |
European Journal of Mineralogy 19 (2007) 75-93 |
|
The crystal structures of lavendulan, sampleite, and a new polymorph of sampleite |
|
Locality: Hilarion mine, Lavrion, Greece |
|
_database_code_amcsd 0007195 |
|
10.011 19.478 10.056 90 90.37 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) |
|
Na .2902 .1083 .6475 .0309 .0259 .042 .0248 .0036 .0008 -.0016 |
|
Ca .78303 .09544 .13674 .0207 .0172 .0260 .0188 .0012 .0000 .0001 |
|
Cu1 .05806 .21004 .13981 .0175 .0167 .0253 .0105 -.0032 -.0002 -.0001 |
|
Cu2 .52395 .21604 .14172 .0178 .0158 .0264 .0113 .0025 .0005 .0002 |
|
Cu3 .29061 .21147 .36580 .0172 .0113 .0242 .0160 -.0001 -.0006 .0027 |
|
Cu4 .29423 .21174 -.08393 .0175 .0116 .0262 .0147 -.0002 .0003 -.0026 |
|
Cu5 .79415 .09098 .64051 .01656 .0130 .0242 .0125 -.0001 .0002 -.0006 |
|
As1 -.00500 .15757 .43069 .01576 .0125 .0236 .0112 -.0005 .0009 .0002 |
|
As2 .00026 .15848 .84746 .01530 .0118 .0230 .0111 -.0003 -.0005 -.0007 |
|
As3 .58430 .16290 .43480 .01555 .0123 .0224 .0119 .0003 -.0006 .0004 |
|
As4 .58955 .16303 .84879 .01553 .0119 .0230 .0117 .0005 .0012 -.0004 |
|
O1 -.0729 .0882 .4986 .0216 .021 .027 .017 -.004 .008 .001 |
|
O2 -.0455 .1587 .2685 .0207 .027 .025 .010 -.009 .001 .001 |
|
O3 .1605 .1539 .4595 .0224 .008 .032 .026 -.001 .001 .007 |
|
O4 -.0663 .2307 .5016 .0178 .014 .026 .014 .001 -.003 -.002 |
|
O5 -.0622 .0883 .7728 .0210 .017 .025 .021 -.002 -.004 -.002 |
|
O6 .1646 .1601 .8155 .0221 .008 .036 .023 .002 -.003 -.009 |
|
O7 -.0405 .1570 1.0086 .0219 .018 .033 .016 -.006 -.001 -.001 |
|
O8 -.0697 .2312 .7804 .0191 .020 .026 .012 -.001 -.001 .003 |
|
O9 .6513 .0936 .5050 .0227 .023 .027 .018 .001 -.008 .003 |
|
O10 .4212 .1617 .4674 .0234 .013 .036 .021 .002 .001 .010 |
|
O11 .6239 .1627 .2722 .0201 .025 .028 .008 .007 -.004 .001 |
|
O12 .6494 .2361 .5021 .0171 .015 .025 .011 -.003 .0036 -.0026 |
|
O13 .6656 .0954 .7840 .0229 .022 .029 .017 .002 .008 -.002 |
|
O14 .4250 .1604 .8191 .0201 .009 .031 .020 .002 .000 -.007 |
|
O15 .6482 .2374 .7790 .0179 .019 .022 .013 .001 .002 .0044 |
|
O16 .6329 .1680 1.0119 .0204 .018 .032 .011 .004 .001 -.002 |
|
Cl .30063 .13529 .1362 .0244 .0246 .0276 .0209 -.0016 .0004 .0018 |
|
Wat1 .8525 .0042 .2943 .0320 .033 .038 .024 .002 -.005 -.006 |
|
Wat2 .2341 .0227 .3557 .046 .070 .027 .040 -.002 .017 .002 |
|
Wat3 .4415 .0202 .6420 .0361 .032 .043 .033 -.008 .009 -.002 |
|
Wat4 .8513 .0069 -.0096 .0383 .043 .044 .028 -.004 .006 -.005 |
|
Wat5 .5882 .0224 .1097 .054 .053 .065 .042 -.030 -.006 .011 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Sampleite |
|
Giester G, Kolitsch U, Leverett P, Turner P, Williams P A |
| |
European Journal of Mineralogy 19 (2007) 75-93 |
|
The crystal structures of lavendulan, sampleite, and a new polymorph of sampleite |
|
Locality: Northparkes mine, Goonumbla, New South Wales, Australia |
|
_database_code_amcsd 0007196 |
|
9.676 19.284 9.766 90 90.07 90 P2_1/n |
|
atom x y z Uiso |
|
Na .2865 .1032 .6398 .0112 |
|
Ca .76999 .09306 .14427 .0043 |
|
Cu1 .04881 .21185 .14075 .0032 |
|
Cu2 .51567 .22076 .14043 .0033 |
|
Cu3 .28372 .21763 .36863 .0029 |
|
Cu4 .28443 .21228 -.08722 .0035 |
|
Cu5 .78575 .09295 .64142 .0033 |
|
P1 -.0109 .15821 .4326 .0029 |
|
P2 -.0086 .15469 .8503 .0025 |
|
P3 .5786 .16499 .4328 .0026 |
|
P4 .5786 .16071 .8473 .0023 |
|
O1 -.0688 .0928 .5009 .0040 |
|
O2 -.0488 .1578 .2768 .0036 |
|
O3 .1457 .1601 .4592 .0105 |
|
O4 -.0753 .2255 .4961 .0059 |
|
O5 -.0691 .0890 .7827 .0057 |
|
O6 .1466 .1560 .8222 .0056 |
|
O7 -.0460 .1547 1.0041 .0041 |
|
O8 -.0751 .2220 .7829 .0028 |
|
O9 .6477 .1018 .4968 .0077 |
|
O10 .4217 .1638 .4620 .0068 |
|
O11 .6133 .1673 .2766 .0050 |
|
O12 .6365 .2332 .4974 .0031 |
|
O13 .6473 .0967 .7855 .0064 |
|
O14 .4233 .1585 .8193 .0061 |
|
O15 .6372 .2293 .7801 .0049 |
|
O16 .6137 .1648 1.0037 .0037 |
|
Cl .2911 .13745 .1425 .0053 |
|
Wat1 .8509 .0009 .2984 .0077 |
|
Wat2 .2394 .0236 .3825 .0175 |
|
Wat3 .4579 .0169 .6121 .0340 |
|
Wat4 .8390 .0043 -.0063 .0113 |
|
Wat5 .5576 .0242 .1337 .0354 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Sampleite |
|
Giester G, Kolitsch U, Leverett P, Turner P, Williams P A |
| |
European Journal of Mineralogy 19 (2007) 75-93 |
|
The crystal structures of lavendulan, sampleite, and a new polymorph of sampleite |
|
Locality: Lake Boga, Victoria, Australia |
|
Note: This is a polymorph or perhaps polytype of sampleite |
|
_database_code_amcsd 0007197 |
|
9.695 9.673 19.739 90 102.61 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) |
|
Na .1870 .2080 .6027 .0430 .030 .035 .062 -.004 .005 .011 |
|
Ca .3191 .2770 .40528 .0233 .0317 .0167 .0204 -.0051 .0032 .0027 |
|
Cu1 .73327 .05287 .21307 .0185 .0081 .0171 .0306 -.0017 .0051 -.0020 |
|
Cu2 .26393 .02044 .27943 .0190 .0106 .0182 .0285 .0006 .0047 -.0016 |
|
Cu3 -.03815 .28727 .21499 .0152 .0141 .0081 .0242 -.0022 .0057 -.0012 |
|
Cu4 .50696 .28915 .21511 .0171 .0134 .0105 .0269 .0011 .0031 .0012 |
|
Cu5 .81906 .28848 .40553 .0173 .0157 .0108 .0249 .0002 .0035 .0000 |
|
P1 .4195 -.0036 .15683 .0141 .0103 .0088 .0229 .0015 .0030 -.0010 |
|
P2 -.0013 -.0080 .15795 .0151 .0117 .0105 .0244 -.0012 .0071 .0004 |
|
P3 .5808 .0843 .33693 .0147 .0120 .0081 .0226 -.0047 .0007 .0005 |
|
P4 -.0045 .0824 .33647 .0152 .0119 .0100 .0229 .0017 .0016 -.0020 |
|
O1 .3184 -.0642 .0923 .022 .016 .021 .025 .007 -.006 -.005 |
|
O2 .3939 .1496 .1574 .021 .017 .009 .036 .009 .003 -.007 |
|
O3 .5725 -.0420 .1565 .024 .011 .024 .034 .001 .003 .006 |
|
O4 .3838 -.0690 .2242 .021 .020 .019 .026 -.015 .006 .003 |
|
O5 .0378 -.0627 .0927 .021 .018 .011 .033 .009 .006 .003 |
|
O6 -.1522 -.0407 .1579 .0157 .000 .023 .023 -.004 .000 .000 |
|
O7 .0255 .1480 .1589 .029 .040 .018 .033 .003 .015 .000 |
|
O8 .0971 -.0708 .2241 .020 .011 .023 .026 .002 .004 .001 |
|
O9 .6688 .1537 .4000 .027 .012 .028 .041 -.020 .003 -.010 |
|
O10 .4218 .1165 .3339 .0176 .005 .020 .027 -.003 .002 -.001 |
|
O11 .6123 -.0709 .3388 .023 .000 .020 .049 -.001 .003 -.008 |
|
O12 .6183 .1436 .2693 .019 .013 .017 .029 .009 .012 .006 |
|
O13 -.0375 .1497 .4000 .022 .019 .016 .034 .002 .010 .000 |
|
O14 .1483 .1139 .3353 .022 .020 .033 .015 .025 .010 .000 |
|
O15 -.1004 .1405 .2697 .020 .018 .014 .028 .003 .003 -.006 |
|
O16 -.0315 -.0694 .3395 .019 .007 .011 .045 -.008 .015 -.011 |
|
Cl .7001 .2933 .13837 .0226 .0176 .0204 .0296 .0020 .0048 .0035 |
|
Wat1 .2042 .3515 .4962 .042 .024 .058 .041 -.003 .001 .001 |
|
Wat2 -.1252 .2682 .5214 .056 .078 .059 .026 -.016 .002 -.004 |
|
Wat3 .115 .045 .5142 .56 .059 .10 .020 .08 .010 .06 .000 |
|
Wat4 .5083 .3408 .4955 .040 .030 .037 .054 -.009 .007 .007 |
|
Wat5 .356 .0615 .4766 .076 .090 .064 .084 -.032 .040 -.016 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Zincolibethenite |
| |
Williams P A, Leverett P, Birch W D, Hibbs D E, Kilitsch U, Mihajlovic T |
| |
Australian Journal of Mineralogy 12 (2006) 3-7 |
|
Zinc-rich zincolibethenite from Broken Hill, New South Wales |
|
Locality: Block 14 open cut, Broken Hill, New South Wales, Australia |
|
Note: z-coordinate of O3 altered by communication with authors, April 2010 |
|
_database_code_amcsd 0012060 |
|
8.323 8.251 5.861 90 90 90 Pnnm |
|
atom x y z occ Uiso |
|
Zn1 .3606 .3709 .5 .008 |
|
Cu 0 .5 .2509 .94 .010 |
|
Zn2 0 .5 .2509 .06 .010 |
|
P .2335 .2529 0 .98 .006 |
|
As .2335 .2529 0 .02 .006 |
|
O1 .1098 .1131 0 .011 |
|
O2 .1329 .4131 0 .009 |
|
O3 .3405 .2425 .2119 .011 |
|
Oh .1167 .3937 .5 .009 |
|
H .0920 .3070 .5 .038 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cloncurryite |
| |
Colchester D M, Leverett P, McKinnon A R, Sharpe J L, Williams P A |
| |
Australian Journal of Mineralogy 13 (2007) 5-14 |
|
Cloncurryite, Cu0.56(VO)0.44Al2(PO4)2(F,OH)2*5H2O, a new mineral from the Great Australia mine, |
|
Cloncurry, Queensland, Australia, and its relationship to nevadaite |
|
Locality: Great Australia mine, Concurry, Queensland, Australia |
|
_database_code_amcsd 0012061 |
|
4.961 12.181 18.974 90 90.96 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) |
|
V .1889 .1522 .0049 .44 .012 .006 .026 .003 .007 .001 0 |
|
Cu1 .2267 .1756 .0026 .53 .011 .008 .017 .008 .004 0 .001 |
|
Cu2 -.2710 .1680 -.0016 .03 .012 .004 .031 .001 -.008 -.002 .002 |
|
P1 .9807 .2161 -.3546 .004 .002 .005 .006 .001 0 0 |
|
P2 -.0047 .2554 -.1468 .004 .003 .004 .006 .001 0 0 |
|
Al1 .7664 .4870 -.1924 .005 .002 .003 .009 0 -.001 0 |
|
Al2 .4905 .2387 -.2513 .98 .004 .003 .002 .008 .001 0 0 |
|
Fe2 .4905 .2387 -.2513 .02 .004 .003 .002 .008 .001 0 0 |
|
F1 .5605 .5907 -.2340 .5 .004 .001 .002 .009 .001 -.002 0 |
|
OH1 .5605 .5907 -.2340 .5 .004 .001 .002 .009 .001 -.002 0 |
|
F2 .5478 .3862 -.2363 .5 .004 .003 .003 .005 0 0 0 |
|
OH2 .5478 .3862 -.2363 .5 .004 .003 .003 .005 0 0 0 |
|
O1 1.1851 .2758 -.3061 .005 .004 .004 .008 .001 -.002 .001 |
|
O2 1.0091 .0902 -.3477 .009 .007 .005 .014 .003 -.004 -.001 |
|
O3 .0111 .2530 .0680 .011 .010 .020 .004 .002 .001 .001 |
|
O4 .6935 .2488 -.3334 .006 .002 .009 .008 .002 -.001 .001 |
|
O5 -.2086 .1973 -.1965 .006 .004 .005 .008 .001 0 0 |
|
O6 -.0488 .3791 -.1460 .009 .008 .006 .012 0 -.002 0 |
|
O7 -.0374 .2096 -.0713 .007 .005 .010 .007 .002 .001 .004 |
|
O8 .2843 .2289 -.1700 .006 .004 .007 .006 0 0 .001 |
|
O9 .0340 .0337 .0105 .44 .009 .011 .001 .014 .001 .001 .003 |
|
Wat1 .9875 .4841 -.2761 .009 .008 .008 .012 0 .004 0 |
|
Wat2 .5027 .4943 -.1157 .008 .007 .006 .013 .001 .002 .001 |
|
Wat3 .4713 .1080 -.0682 .009 .008 .007 .013 .003 -.001 .002 |
|
Wat4 .4653 .1134 .0753 .016 .026 .006 .015 .006 -.010 -.003 |
|
Wat5 .5190 .3405 -.0066 .56 .014 .014 .014 .014 0 0 0 |
|
Wat6 0 .5000 0 .16 .010 .011 .010 .010 0 0 0 |
|
Wat7 .4590 .3184 -.0078 .28 .010 .010 .010 .010 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
|
| |
|
Connellite |
|
Hibbs D E, Leverett P, Williams P A |
| |
Axis 2 (2006) 1-7 |
|
Connellite from Bisbee, Arizona: A single-crystal X-ray study |
|
Locality: Bisbee, Arizona, USA |
|
_database_code_amcsd 0012063 |
|
15.7866 15.7866 9.1015 90 90 120 P6_3/mmc |
|
atom x y z occ Uiso |
|
Cu(1) .5 0 0 .25 .014 |
|
Cu(2) .2011 0 0 .5 .012 |
|
Cu(3) .3364 .1682 .75 .25 .010 |
|
Cu(4) .3585 .0165 .25 .5 .010 |
|
Cl(3) 0 0 0 .043 .011 |
|
Cl(1) .2772 .1386 .25 .25 .012 |
|
OH1 .4504 .3707 .0918 .012 |
|
OH2 .0749 -.0749 .0989 .5 .020 |
|
OH3 .6744 .7442 .1102 .011 |
|
OH4 .4424 .5576 .25 .25 .014 |
|
OW .5070 .2540 .75 .040 .017 |
|
Cl(4) 2/3 1/3 .25 .034 .015 |
|
N(1) 2/3 1/3 .25 .021 .015 |
|
O(1a) .6226 .3774 .25 .063 .017 |
|
O(1b) .6150 .3850 .25 .084 .017 |
|
S(1) 2/3 1/3 .2999 .028 .014 |
|
O(1c) 2/3 1/3 .4620 .028 .014 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
LiNb3O8 |
| |
Gatehouse B M, Leverett P |
| |
Crystal Structure Communications 1 (1972) 83-86 |
|
Lithium triniobate(V), LiNb3O8 |
|
Note: isostructural with lithiotantite |
|
Locality: synthetic |
|
_database_code_amcsd 0017479 |
|
7.459 5.034 15.270 90 107.33 90 P2_1/c |
|
atom x y z Biso |
|
Li .2381 .2317 .0765 2.95 |
|
Nb1 .49156 .23019 .33157 .56 |
|
Nb2 .74905 .24547 .07491 .6 |
|
Nb3 .98323 .24198 .33549 .56 |
|
O1 .9997 .0592 .0979 .27 |
|
O2 .4147 .0680 .2178 .24 |
|
O3 .7634 .0987 .3444 .3 |
|
O4 .5371 .4202 .1006 .44 |
|
O5 .912 .4126 .2148 .26 |
|
O6 .6460 .3958 .4609 .16 |
|
O7 .1467 .0643 .4513 .18 |
|
O8 .2774 .4149 .3445 .22 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Buttgenbachite |
|
Hibbs D E, Leverett P, Williams P A |
 |
Mineralogical Magazine 67 (2003) 47-60 |
|
A single crystal X-ray study of a sulphate-bearing buttgenbachite, |
|
Cu36Cl7.8(NO3)1.3(SO4)0.35(OH)62.2*5.2H2O, and a re-examination |
|
of the crystal chemistry of the buttgenbachite-connellite series |
|
Locality: Likasi, Democratic Republic of Congo |
|
Note: T = 100 K |
|
_database_code_amcsd 0018302 |
|
15.739 15.739 9.127 90 90 120 P6_3/mmc |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Cu1 .5 0 0 .010 .008 .011 .012 .005 -.001 -.002 |
|
Cu2 .2013 0 0 .011 .011 .009 .011 .004 .001 .002 |
|
Cu3 .3360 .1680 .75 .008 .011 .007 .008 .006 0 0 |
|
Cu4 .3590 .0175 .25 .009 .007 .009 .008 .002 0 0 |
|
Cl3 0 0 0 .6 .016 .014 .014 .020 .007 0 0 |
|
Cl1 .2772 .1386 .25 .014 .015 .011 .016 .008 0 0 |
|
OH1 .4505 .3699 .0899 .011 .010 .010 .011 .005 .001 .001 |
|
OH2 .0750 -.0750 .0985 .021 .014 .014 .023 -.001 .005 -.005 |
|
OH3 .6743 .7443 .1094 .010 .012 .010 .010 .006 .001 .001 |
|
OH4 .4444 .5556 .25 .029 .046 .046 .015 .040 0 0 |
|
Wat1 .5070 .2536 .75 .18 .026 |
|
N1 2/3 1/3 .25 .18 .022 |
|
Cl4 2/3 1/3 .25 .30 .022 |
|
O1a .6222 .3778 .25 .18 .017 |
|
O1b .6153 .3847 .25 .18 .017 |
|
S1 2/3 1/3 .3040 .09 .020 |
|
O1c 2/3 1/3 .0320 .09 .020 |
|
N2 2/3 1/3 .0860 .24 .022 |
|
Wat2 2/3 1/3 .0860 .06 .022 |
|
O2 .7113 .2887 .0860 .24 .022 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Buttgenbachite |
|
Hibbs D E, Leverett P, Williams P A |
|
Mineralogical Magazine 67 (2003) 47-60 |
|
A single crystal X-ray study of a sulphate-bearing buttgenbachite, |
|
Cu36Cl7.8(NO3)1.3(SO4)0.35(OH)62.2.5.2H2O, and a re-examination |
|
of the crystal chemistry of the buttgenbachite-connellite series |
|
Locality: Likasi, Democratic Republic of Congo |
|
Note: T = 288 K |
|
_database_code_amcsd 0018303 |
|
15.739 15.739 9.127 90 90 120 P6_3/mmc |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Cu1 .5 0 0 .013 .009 .013 .017 .007 -.001 -.003 |
|
Cu2 .2014 0 0 .013 .012 .012 .016 .006 .001 .003 |
|
Cu3 .3355 .1677 .75 .011 .014 .009 .011 .007 0 0 |
|
Cu4 .3592 .0172 .25 .012 .009 .012 .012 .002 0 0 |
|
Cl3 0 0 0 .60 .020 .024 .024 .014 .012 0 0 |
|
Cl1 .2773 .1387 .25 .021 .021 .014 .030 .010 0 0 |
|
OH1 .4503 .3703 .0918 .013 .008 .014 .015 .004 .003 .004 |
|
OH2 .0749 -.0749 .0993 .024 .021 .021 .024 .004 .004 -.004 |
|
OH3 .6744 .7452 .1101 .011 .014 .011 .011 .009 .002 .003 |
|
OH4 .4437 .5563 .25 .25 .037 .058 .058 .017 .045 0 0 |
|
Wat1 .5080 .2540 .75 .18 .030 |
|
N1 2/3 1/3 .25 .18 .028 |
|
Cl4 2/3 1/3 .25 .30 .028 |
|
O1a .6226 .3774 .25 .18 .032 |
|
O1b .6155 .3845 .25 .18 .032 |
|
S1 2/3 1/3 .3045 .09 .022 |
|
O1c 2/3 1/3 .0320 .09 .022 |
|
N2 2/3 1/3 .100 .24 .028 |
|
Wat2 2/3 1/3 .100 .06 .028 |
|
O2 .7115 .2885 .100 .24 .029 |
|
|
| 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, Hager S L, Leverett P, Williams P A, Raudsepp M |
| |
Mineralogical Magazine 74 (2010) 487-492 |
|
The structure of H3O+ - exchanged pharmacosiderite |
|
Locality: Gold Hill mine, Gold Hill, Tooele County, Utah, USA |
|
_database_code_amcsd 0014603 |
|
7.982 7.982 7.982 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) |
|
Fe .1433 .1433 .1433 .0097 .0099 .0099 .0099 -.0004 -.0004 -.0004 |
|
As .5 0 0 .0123 .0065 .0153 .0153 0 0 0 |
|
O1 .1239 .1239 .3842 .019 .022 .022 .015 -.007 .001 .001 |
|
O2 .8867 .8867 .8867 .005 .005 .005 .005 -.002 -.002 -.002 |
|
O3 .5 .0500 .5 .5 .048 |
|
O4 .6913 .6913 .6913 .5 .028 |
|
O5 .5 .5 .5 .5 .035 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pharmacosiderite |
|
Mills S J, Hager S L, Leverett P, Williams P A, Raudsepp M |
| |
Mineralogical Magazine 74 (2010) 487-492 |
|
The structure of H3O+ - exchanged pharmacosiderite |
|
Locality: Cornwall, England |
|
_database_code_amcsd 0014604 |
|
7.980 7.980 7.980 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) |
|
Fe .1429 .1429 .1429 .015 .015 .015 .015 -.002 -.002 -.002 |
|
As .5 0 0 .023 .012 .029 .029 0 0 0 |
|
O1 .1230 .1230 .3829 .025 |
|
O2 .8868 .8868 .8868 .013 |
|
O3 .5 .069 .5 .5 .057 |
|
O4 .694 .694 .694 .5 .048 |
|
|
| 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
|
| |
|
Buttgenbachite |
|
Hibbs D E, Leverett P, Williams P A |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 2002 (2002) 225-240 |
|
Buttgenbachite from Bisbee, Arizona, USA: A single-crystal X-ray study |
|
Locality: Bisbee, Arizona, USA |
|
_database_code_amcsd 0014920 |
|
15.739 15.739 9.127 90 90 120 P6_3/mmc |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Cu1 .5 0 0 .011 .010 .014 .012 .007 -.001 -.002 |
|
Cu2 .2014 0 0 .011 .012 .010 .011 .005 .001 .002 |
|
Cu3 .3357 .16785 .75 .010 .013 .009 .009 .007 0 0 |
|
Cu4 .3586 .0165 .25 .010 .008 .011 .008 .002 0 0 |
|
Cl1 .2768 .1384 .25 .014 .016 .011 .016 .008 0 0 |
|
Cl3 0 0 0 .5 .015 .013 .013 .019 .006 0 0 |
|
OH1 .4501 .3699 .0912 .012 .015 .011 .009 .006 .003 .001 |
|
OH2 .0753 -.0753 .0991 .021 .014 .014 .023 -.002 .005 -.005 |
|
OH3 .6737 .7441 .1097 .012 .014 .012 .011 .008 .001 .001 |
|
OH4 .4423 .5577 .25 .009 .021 .021 .000 .021 0 0 |
|
N1 2/3 1/3 .25 .5 .013 |
|
Cl2 2/3 1/3 .25 .5 .013 |
|
O1 .6216 .3784 .25 .011 |
|
Wat .5100 .2552 .8070 .1 .011 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Rhodonite |
|
Leverett P, Williams P A, Hibbs D E |
| |
The Mineralogical Record 39 (2008) 125-130 |
|
Ca-Mg-Fe-rich rhodonite from the Morro da Mina mine, Conselheiro Lafaiete, |
|
Minas Gerais, Brazil |
|
Locality: the Morro da Mina mine, Conselheiro Lafaiete, Minas Gerais, Brazil |
|
_database_code_amcsd 0018494 |
|
6.6818 7.6330 11.795 105.49 92.49 94.01 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) |
|
Mn1 .12599 .31643 .44484 .88 .00626 .0059 .0071 .00550 .00042 -.00026 .00127 |
|
Mg1 .12599 .31643 .44484 .05 .00626 .0059 .0071 .00550 .00042 -.00026 .00127 |
|
Fe1 .12599 .31643 .44484 .07 .00626 .0059 .0071 .00550 .00042 -.00026 .00127 |
|
Mn2 -.03020 .88219 .85207 .89 .00600 .0050 .00678 .00600 .00103 -.00026 .00125 |
|
Mg2 -.03020 .88219 .85207 .04 .00600 .0050 .00678 .00600 .00103 -.00026 .00125 |
|
Fe2 -.03020 .88219 .85207 .07 .00600 .0050 .00678 .00600 .00103 -.00026 .00125 |
|
Mn3 .18772 .51011 .73004 .87 .00586 .0054 .0062 .00554 .00081 -.00089 .00102 |
|
Mg3 .18772 .51011 .73004 .06 .00586 .0054 .0062 .00554 .00081 -.00089 .00102 |
|
Fe3 .18772 .51011 .73004 .07 .00586 .0054 .0062 .00554 .00081 -.00089 .00102 |
|
Mn4 .20459 .70105 .02455 .75 .00723 .0081 .0093 .0050 .00372 .00089 .00242 |
|
Mg4 .20459 .70105 .02455 .15 .00723 .0081 .0093 .0050 .00372 .00089 .00242 |
|
Fe4 .20459 .70105 .02455 .10 .00723 .0081 .0093 .0050 .00372 .00089 .00242 |
|
Mn5 .35490 -.04369 .30145 .42 .01047 .0085 .0057 .0152 -.00078 .00363 -.00077 |
|
Ca1 .35490 -.04369 .30145 .51 .01047 .0085 .0057 .0152 -.00078 .00363 -.00077 |
|
Fe5 .35490 -.04369 .30145 .02 .01047 .0085 .0057 .0152 -.00078 .00363 -.00077 |
|
Mg5 .35490 -.04369 .30145 .05 .01047 .0085 .0057 .0152 -.00078 .00363 -.00077 |
|
Si1 .29379 .54200 .26260 .00674 .0060 .0082 .0059 .0008 .0007 .0017 |
|
Si2 .36280 .73554 .53066 .00647 .0058 .0085 .0050 .0002 -.0003 .0019 |
|
Si3 .15369 .07625 .65421 .00622 .0060 .0064 .0061 .0003 -.0001 .0014 |
|
Si4 .50381 .78135 .87506 .00632 .0050 .0076 .0059 .0005 -.0002 .0012 |
|
Si5 .24626 .25610 .91103 .00656 .0062 .0079 .0057 .0001 -.0004 .0021 |
|
O1 .1099 .2514 .61131 .0083 .0091 .0082 .0077 .0009 -.0003 .0025 |
|
O2 .1933 .5999 .56407 .0086 .0092 .0089 .0080 -.0001 .0010 .0030 |
|
O3 .0396 .0440 .32101 .0081 .0072 .0089 .0075 -.0009 .0004 .0016 |
|
O4 .1063 .4006 .26904 .0082 .0054 .0094 .0094 .0007 .0006 .0019 |
|
O5 .0577 .1579 .96028 .0082 .0072 .0092 .0083 .0006 .0008 .0026 |
|
O6 .5161 .5794 .77974 .0079 .0067 .0087 .0073 .0001 .0015 .0002 |
|
O7 .1926 .4525 .90252 .0094 .0104 .0088 .0094 .0014 -.0006 .0036 |
|
O8 .3767 .6832 .38846 .0098 .0110 .0102 .0066 -.0018 .0014 .0000 |
|
O9 -.3388 .9348 .85425 .0082 .0081 .0088 .0079 .0004 .0005 .0028 |
|
O10 .4183 .2440 .40742 .0149 .0087 .0268 .0118 .0005 -.0005 .0100 |
|
O11 .2998 .1396 .77781 .0085 .0073 .0103 .0067 -.0001 -.0014 .0009 |
|
O12 .5521 .7437 .00472 .0076 .0065 .0096 .0068 -.0004 -.0007 .0028 |
|
O13 .2657 .8007 .86878 .0082 .0060 .0084 .0104 .0014 .0006 .0027 |
|
O14 .2551 .6805 .18616 .0116 .0105 .0151 .0109 .0022 -.0009 .0062 |
|
O15 .2940 .9467 .56205 .0124 .0143 .0062 .0162 .0014 .0075 .0010 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
Multiple datasets can be concatenated into a single downloadable file by
selecting the datasets and then hitting the "Download Selected Data" button.
