|
Francisite |
 |
Pring A, Gatehouse B M, Birch W D |
 |
American Mineralogist 75 (1990) 1421-1425 |
|
Francisite, Cu3Bi(SeO3)2O2Cl, a new mineral from Iron Monarch, South Australia: |
|
Description and crystal structure |
|
_database_code_amcsd 0001339 |
|
6.354 9.630 7.220 90 90 90 *Pmmn |
|
-.25 -.25 0 |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Bi .25 .25 .2416 0.0066 0.0064 0.0082 0 0 0 |
|
Cu1 0 0 0 0.0116 0.0055 0.0123 -.0087 0.0041 -.0069 |
|
Cu2 .25 .25 .7922 0.0322 0.0061 0.0027 0 0 0 |
|
Se .25 .5570 .6096 0.0072 0.0064 0.0092 0 0 .0008 |
|
Cl .25 .75 .1488 0.0474 0.0345 0.0172 0 0 0 |
|
O1 .25 .1113 .9941 .0074 |
|
O2 .0409 .5836 .7552 .0157 |
|
O3 .25 .1173 .5872 .0169 |
|
|
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|
| |
|
Bernalite |
|
Birch W D, Pring A, Reller A, Schmalle H W |
|
American Mineralogist 78 (1993) 827-834 |
|
Bernalite, Fe(OH)3, a new mineral from Broken Hill, New South Wales: Description |
|
and structure |
|
_database_code_amcsd 0001607 |
|
7.544 7.560 7.558 90 90 90 Immm |
|
atom x y z Uiso |
|
Fe .25 .25 .25 .0049 |
|
OH1 .5 .178 .308 .001 |
|
OH2 .195 .190 .5 .001 |
|
OH3 .318 .5 .323 .001 |
|
Wat 0 .5 .5 .0064 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Bamfordite |
|
Birch W D, Pring A, McBriar E M, Gatehouse B M, McCammon C A |
|
American Mineralogist 83 (1998) 172-177 |
|
Bamfordite, a new hydrated iron molybdenum oxyhydroxide from Queensland, |
|
Australia: Description and crystal chemistry |
|
_database_code_amcsd 0001962 |
|
5.878 7.536 9.436 71.66 83.43 72.85 P-1 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mo1 .2370 .4809 .26057 .0060 .0057 .0056 -.0021 .0005 -.0003 |
|
Mo2 .0943 .2340 .05694 .0091 .0058 .0068 -.0031 .0004 -.0002 |
|
Fe1 -.0817 .8948 .4069 .0095 .0091 .0099 -.0027 .0011 -.0014 |
|
O1 -.216 .1160 .5005 .006 .008 .013 -.001 -.002 -.004 |
|
O2 -.401 .925 .3281 .014 .028 .010 -.009 -.002 -.003 |
|
O3 .081 .6791 .3278 .022 .007 .016 -.003 .002 -.006 |
|
O4 .530 .4586 .2840 .008 .013 .027 -.005 -.001 -.004 |
|
O5 .170 .2863 .4072 .020 .010 .011 -.007 .006 .002 |
|
O6 .338 .2860 .1252 .012 .009 .009 -.001 .000 -.002 |
|
O7 .076 .4876 -.1364 .008 .007 .007 -.002 .002 .002 |
|
O8 -.234 .3275 -.0392 .017 .011 .016 -.004 -.002 -.001 |
|
O9 -.017 .091 .2212 .011 .017 .011 -.004 .001 -.002 |
|
O10 .244 .081 -.0363 .017 .015 .014 -.001 .003 -.009 |
|
|
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|
| |
|
Kingite |
|
Wallwork K S, Pring A, Taylor M R, Hunter B A |
|
American Mineralogist 88 (2003) 235-239 |
|
A model for the structure of the hydrated aluminum phosphate, kingite |
|
determined by ab initio powder diffraction methods |
|
_database_code_amcsd 0002976 |
|
9.377 10.113 7.138 97.60 100.88 96.01 P-1 |
|
atom x y z Biso |
|
Al1 .6816 .8460 .6141 1.6 |
|
Al2 .4478 .7115 .1779 1.6 |
|
Al3 .2287 .6214 -.2936 1.6 |
|
P1 .3344 .8675 .5187 1.1 |
|
P2 .5737 .6031 -.1866 1.1 |
|
F1 .6025 .7295 .3806 3.6 |
|
F2 .2874 .6934 -.0324 3.6 |
|
O1 .4932 .9032 .6597 1.0 |
|
O2 .7213 .9887 .4907 1.0 |
|
O3 .6838 .7109 .7596 1.0 |
|
O4 .7621 .9823 .8760 .2 |
|
O5 .8893 .8283 .6131 .2 |
|
O6 .3262 .7954 .3191 1.0 |
|
O7 .5703 .6366 .0233 1.0 |
|
O8 .3701 .5431 .2327 1.0 |
|
O9 .5118 .8825 .1089 .2 |
|
O10 .2528 .7952 -.3504 .8 |
|
O11 .4177 .5941 -.3091 .8 |
|
O12 .0376 .6314 -.2652 .2 |
|
O13 .1696 .5467 -.5565 .2 |
|
O14 .1884 .4405 -.2281 .2 |
|
O15 .9014 .9460 .2122 1.0 |
|
O16 .9723 .2906 -.1172 1.0 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Pentlandite |
|
Tenailleau C, Etschmann B, Ibberson R M, Pring A |
| |
American Mineralogist 91 (2006) 1442-1447 |
|
A neutron powder diffraction study of Fe and Ni distributions in synthetic |
|
pentlandite and violarite using 60Ni isotope |
|
Locality: synthetic |
|
Sample: T = 25 C after annealing at 150 C for 1 month |
|
_database_code_amcsd 0004226 |
|
10.1075 10.1075 10.1075 90 90 90 Fm3m |
|
atom x y z occ Uiso |
|
NiO .5 .5 .5 .57 .0053 |
|
FeO .5 .5 .5 .43 .0053 |
|
FeT .1274 .1274 .1274 .54 .0053 |
|
NiT .1274 .1274 .1274 .46 .0053 |
|
S1 .25 .25 .25 .0038 |
|
S2 .2590 0 0 .0038 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Pentlandite |
|
Tenailleau C, Etschmann B, Ibberson R M, Pring A |
| |
American Mineralogist 91 (2006) 1442-1447 |
|
A neutron powder diffraction study of Fe and Ni distributions in synthetic |
|
pentlandite and violarite using 60Ni isotope |
|
Locality: synthetic |
|
Sample: T = 225 C |
|
_database_code_amcsd 0004227 |
|
10.2045 10.2045 10.2045 90 90 90 Fm3m |
|
atom x y z occ Uiso |
|
NiO .5 .5 .5 .50 .0110 |
|
FeO .5 .5 .5 .50 .0110 |
|
FeT .1280 .1280 .1280 .53 .0110 |
|
NiT .1280 .1280 .1280 .47 .0110 |
|
S1 .25 .25 .25 .0053 |
|
S2 .2624 0 0 .0053 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Pentlandite |
|
Tenailleau C, Etschmann B, Ibberson R M, Pring A |
| |
American Mineralogist 91 (2006) 1442-1447 |
|
A neutron powder diffraction study of Fe and Ni distributions in synthetic |
|
pentlandite and violarite using 60Ni isotope |
|
Locality: synthetic |
|
Sample: T = 300 C |
|
_database_code_amcsd 0004228 |
|
10.2349 10.2349 10.2349 90 90 90 Fm3m |
|
atom x y z occ Uiso |
|
NiO .5 .5 .5 .50 .0161 |
|
FeO .5 .5 .5 .50 .0161 |
|
FeT .1276 .1276 .1276 .54 .0161 |
|
NiT .1276 .1276 .1276 .46 .0161 |
|
S1 .25 .25 .25 .0099 |
|
S2 .2600 0 0 .0099 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Pentlandite |
|
Tenailleau C, Etschmann B, Ibberson R M, Pring A |
| |
American Mineralogist 91 (2006) 1442-1447 |
|
A neutron powder diffraction study of Fe and Ni distributions in synthetic |
|
pentlandite and violarite using 60Ni isotope |
|
Locality: synthetic |
|
Sample: T = 25 C, annealed at 150 C for t = 2 months after high-T expirement |
|
_database_code_amcsd 0004229 |
|
10.1296 10.1296 10.1296 90 90 90 Fm3m |
|
atom x y z occ Uiso |
|
NiO .5 .5 .5 .52 .0095 |
|
FeO .5 .5 .5 .48 .0095 |
|
FeT .1273 .1273 .1273 .52 .0095 |
|
NiT .1273 .1273 .1273 .48 .0095 |
|
S1 .25 .25 .25 .0081 |
|
S2 .2601 0 0 .0081 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Violarite |
|
Tenailleau C, Etschmann B, Ibberson R M, Pring A |
| |
American Mineralogist 91 (2006) 1442-1447 |
|
A neutron powder diffraction study of Fe and Ni distributions in synthetic |
|
pentlandite and violarite using 60Ni isotope |
|
Locality: synthetic |
|
Sample: T = 25 C |
|
_database_code_amcsd 0004230 |
|
9.4424 9.4424 9.4424 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
NiT .125 .125 .125 .97 .0005 |
|
FeT .125 .125 .125 .03 .0005 |
|
NiO .5 .5 .5 .54 .0005 |
|
FeO .5 .5 .5 .46 .0005 |
|
S .2578 .2578 .2578 .0043 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Violarite |
|
Tenailleau C, Etschmann B, Ibberson R M, Pring A |
| |
American Mineralogist 91 (2006) 1442-1447 |
|
A neutron powder diffraction study of Fe and Ni distributions in synthetic |
|
pentlandite and violarite using 60Ni isotope |
|
Locality: synthetic |
|
Sample: T = 75 C |
|
_database_code_amcsd 0004231 |
|
9.4452 9.4452 9.4452 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
NiT .125 .125 .125 .97 .0006 |
|
FeT .125 .125 .125 .03 .0006 |
|
NiO .5 .5 .5 .50 .0006 |
|
FeO .5 .5 .5 .50 .0006 |
|
S .2572 .2572 .2572 .0035 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Violarite |
|
Tenailleau C, Etschmann B, Ibberson R M, Pring A |
| |
American Mineralogist 91 (2006) 1442-1447 |
|
A neutron powder diffraction study of Fe and Ni distributions in synthetic |
|
pentlandite and violarite using 60Ni isotope |
|
Locality: synthetic |
|
Sample: T = 150 C |
|
_database_code_amcsd 0004232 |
|
9.4612 9.4612 9.4612 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
NiT .125 .125 .125 .98 .0001 |
|
FeT .125 .125 .125 .02 .0001 |
|
NiO .5 .5 .5 .59 .0001 |
|
FeO .5 .5 .5 .41 .0001 |
|
S .2583 .2583 .2583 .0025 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Violarite |
|
Tenailleau C, Etschmann B, Ibberson R M, Pring A |
| |
American Mineralogist 91 (2006) 1442-1447 |
|
A neutron powder diffraction study of Fe and Ni distributions in synthetic |
|
pentlandite and violarite using 60Ni isotope |
|
Locality: synthetic |
|
Sample: T = 225 C |
|
_database_code_amcsd 0004233 |
|
9.4709 9.4709 9.4709 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
NiT .125 .125 .125 .97 .0032 |
|
FeT .125 .125 .125 .03 .0032 |
|
NiO .5 .5 .5 .52 .0032 |
|
FeO .5 .5 .5 .48 .0032 |
|
S .2573 .2573 .2573 .0033 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Violarite |
|
Tenailleau C, Etschmann B, Ibberson R M, Pring A |
| |
American Mineralogist 91 (2006) 1442-1447 |
|
A neutron powder diffraction study of Fe and Ni distributions in synthetic |
|
pentlandite and violarite using 60Ni isotope |
|
Locality: synthetic |
|
Sample: T = 300 C |
|
_database_code_amcsd 0004234 |
|
9.4847 9.4847 9.4847 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
NiT .125 .125 .125 .99 .0045 |
|
FeT .125 .125 .125 .01 .0045 |
|
NiO .5 .5 .5 .59 .0045 |
|
FeO .5 .5 .5 .41 .0045 |
|
S .2586 .2586 .2586 .0101 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Violarite |
|
Tenailleau C, Etschmann B, Ibberson R M, Pring A |
| |
American Mineralogist 91 (2006) 1442-1447 |
|
A neutron powder diffraction study of Fe and Ni distributions in synthetic |
|
pentlandite and violarite using 60Ni isotope |
|
Locality: synthetic |
|
Sample: T = 25 C |
|
_database_code_amcsd 0004235 |
|
9.4498 9.4498 9.4498 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
NiT .125 .125 .125 .93 .0067 |
|
FeT .125 .125 .125 .07 .0067 |
|
FeO .5 .5 .5 .53 .0067 |
|
NiO .5 .5 .5 .47 .0067 |
|
S .2581 .2581 .2581 .0043 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Violarite |
|
Tenailleau C, Etschmann B, Ibberson R M, Pring A |
| |
American Mineralogist 91 (2006) 1442-1447 |
|
A neutron powder diffraction study of Fe and Ni distributions in synthetic |
|
pentlandite and violarite using 60Ni isotope |
|
Locality: synthetic |
|
Sample: T = -73 C |
|
_database_code_amcsd 0004236 |
|
9.4318 9.4318 9.4318 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
NiT .125 .125 .125 .93 .0011 |
|
FeT .125 .125 .125 .07 .0011 |
|
FeO .5 .5 .5 .56 .0011 |
|
NiO .5 .5 .5 .44 .0011 |
|
S .2573 .2573 .2573 .0015 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Violarite |
|
Tenailleau C, Etschmann B, Ibberson R M, Pring A |
| |
American Mineralogist 91 (2006) 1442-1447 |
|
A neutron powder diffraction study of Fe and Ni distributions in synthetic |
|
pentlandite and violarite using 60Ni isotope |
|
Locality: synthetic |
|
Sample: T = -173 C |
|
_database_code_amcsd 0004237 |
|
9.4211 9.4211 9.4211 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
NiT .125 .125 .125 .92 .0003 |
|
FeT .125 .125 .125 .08 .0003 |
|
FeO .5 .5 .5 .56 .0003 |
|
NiO .5 .5 .5 .44 .0003 |
|
S .2582 .2582 .2582 .0016 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Birchite |
| |
Elliot P, Brugger J, Pring A, Cole M L, Willis A C, Kolitsch U |
| |
American Mineralogist 93 (2008) 910-917 |
|
Birchite, a new mineral from Broken Hill, New South Wales, Australia: |
|
Description and structure refinement |
|
Locality: Block 14 Opencut, Broken Hill, New South Wales, Australia |
|
_database_code_amcsd 0004585 |
|
10.4768 20.8938 6.1640 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) |
|
Cd .90709 .60270 .54392 .0237 .0252 .0243 .0216 -.0024 .0028 -.0007 |
|
Cu .10856 .56327 .12074 .0192 .0231 .0232 .0113 -.0005 -.0001 .0042 |
|
P .1735 .54334 .6333 .0163 .0201 .0177 .0111 -.0012 .0002 .0014 |
|
S .9468 .75 .7596 .0239 .027 .0210 .024 0 .0003 0 |
|
O1 .9880 .75 .9852 .034 .029 .044 .028 0 -.017 0 |
|
O2 .8066 .75 .7490 .024 .029 .026 .017 0 -.004 0 |
|
O3 .9999 .6926 .6491 .038 .031 .033 .052 -.015 .010 .002 |
|
O4 .2888 .5865 .6574 .0202 .022 .019 .020 -.008 .001 -.004 |
|
O5 .0764 .5489 .8175 .0196 .016 .032 .010 -.008 .002 .004 |
|
O6 .2181 .4729 .6099 .0191 .022 .018 .017 -.003 .000 .008 |
|
O7 .0925 .5617 .4298 .0192 .022 .027 .009 .003 -.004 .004 |
|
Wat1 .9503 .6211 .1418 .0218 .031 .019 .015 -.003 -.004 .004 |
|
Wat2 .2212 .6593 .0593 .0211 .017 .020 .026 .007 -.001 .001 |
|
Wat3 .6947 .75 .1385 .030 .028 .040 .023 0 .001 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Townendite |
| |
Grey I E, Macrae C M, Mumme W G, Pring A |
| |
American Mineralogist 95 (2010) 646-650 |
|
Townendite, Na8ZrSi6O18, a new uranium-bearing lovozerite group mineral |
|
from the Ilimaussaq alkaline complex, Southern Greenland |
|
Locality: the Ilimaussaq alkaline complex, Southern Greenland |
|
_database_code_amcsd 0005045 |
|
10.345 10.345 13.103 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) |
|
ZrM 0 0 .5 .67 .017 .016 .016 .016 .008 0 0 |
|
SnM 0 0 .5 .04 .017 .016 .016 .016 .008 0 0 |
|
UM 0 0 .5 .02 .017 .016 .016 .016 .008 0 0 |
|
TiM 0 0 .5 .01 .017 .016 .016 .016 .008 0 0 |
|
NaA .5 0 0 .026 .024 .039 .020 .020 -.007 -.014 |
|
NaB .5 0 .5 .70 .036 .033 .057 .027 .029 .006 .012 |
|
NaC 0 0 .2537 .66 .026 .023 .023 .032 .011 0 0 |
|
MnC 0 0 .2537 .08 .026 .023 .023 .032 .011 0 0 |
|
FeC 0 0 .2537 .06 .026 .023 .023 .032 .011 0 0 |
|
YC 0 0 .2537 .07 .026 .023 .023 .032 .011 0 0 |
|
CaC 0 0 .2537 .08 .026 .023 .023 .032 .011 0 0 |
|
Si .1507 .3013 .0661 .020 .019 .020 .023 .010 -.001 -.002 |
|
O1 .2409 .7591 .0645 .041 .034 .034 .062 .023 -.003 .003 |
|
O2 .1133 .8867 .1741 .049 .069 .069 .024 .048 .002 -.002 |
|
O3 .2546 0 0 .044 .043 .028 .055 .014 .012 .023 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Priceite |
|
Wallwork K S, Pring A, Taylor M R, Hunter B A |
|
The Canadian Mineralogist 40 (2002) 1199-1206 |
|
The structure of priceite, a basic hydrated calcium borate, |
|
by ab initio powder-diffraction methods |
|
_database_code_amcsd 0005789 |
|
11.623 6.976 12.350 90 110.70 90 P2_1/c |
|
atom x y z Uiso |
|
Ca1 .4928 .2403 -.0809 .017 |
|
Ca2 .8085 .2554 .3790 .017 |
|
O1 .1817 .2579 .2235 .013 |
|
OH2 .7956 .5805 .4357 .013 |
|
O3 .7671 .9288 .4186 .013 |
|
O4 .6167 -.2127 -.2116 .013 |
|
OH5 .5208 .1072 .1129 .013 |
|
OH6 .4088 .8312 .2247 .013 |
|
O7 .5527 .9347 .4069 .013 |
|
O8 .7145 .8283 .5805 .013 |
|
O9 .6999 .3331 .0234 .013 |
|
OH10 .7709 .1081 .1825 .013 |
|
OH11 .9088 .2410 .0914 .013 |
|
O12 .8317 .4375 .2145 .013 |
|
Wat13 .0112 .1530 .4003 .013 |
|
B1 .7497 -.2543 -.6451 .015 |
|
B2 .5139 -.2715 -.1731 .015 |
|
B3 .6835 -.0350 -.5180 .015 |
|
B4 .8029 .2799 .1280 .015 |
|
B5 .7882 -.1241 -.3089 .015 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Kingite |
|
Wallwork K S, Pring A, Taylor M R, Hunter B A |
|
The Canadian Mineralogist 42 (2004) 135-141 |
|
The network of hydrogen bonding in kingite, as revealed by a neutron-diffraction |
|
investigation of its deuterated analogue, Al3(PO4)2F3.7D2O |
|
_database_code_amcsd 0005931 |
|
9.318 10.092 7.108 97.61 100.56 95.97 P-1 |
|
atom x y z Biso |
|
Al1 .6813 .8497 .6135 .8 |
|
Al2 .4498 .7107 .1777 .8 |
|
Al3 .2307 .6272 -.2785 .8 |
|
P1 .3367 .8649 .5218 1.6 |
|
P2 .5720 .6002 -.1945 1.6 |
|
F1 .6004 .7385 .3876 .8 |
|
F2 .2966 .6986 -.0236 .8 |
|
F3 .0434 .6331 -.2605 .8 |
|
O1 .4948 .9008 .6371 .8 |
|
O2 .7203 .9998 .4918 .8 |
|
O3 .6801 .7022 .7500 .8 |
|
O4 .7425 .9649 .8612 .8 |
|
O5 .8808 .8268 .6131 .8 |
|
O6 .3193 .7892 .3169 .8 |
|
O7 .5684 .6373 .0189 .8 |
|
O8 .3736 .5365 .2238 .8 |
|
O9 .5074 .8805 .1059 .8 |
|
O10 .2416 .7981 -.3580 .8 |
|
O11 .4183 .5960 -.3188 .8 |
|
O12 .1737 .5580 -.5497 .8 |
|
O13 .1911 .4469 -.2338 .8 |
|
O14 .9008 .9434 .2111 .8 |
|
O15 .0171 .7065 .1338 .8 |
|
D4a .7492 .0642 .8614 4.0 |
|
D4b .8154 .9584 .9779 4.0 |
|
D5a .9645 .9048 .6507 4.0 |
|
D5b .9377 .7537 .6618 4.0 |
|
D9a .5117 .9708 .1898 4.0 |
|
D9b .5860 .8894 .0280 4.0 |
|
D12a .0945 .4828 -.6119 4.0 |
|
D12b .2429 .5366 -.6379 4.0 |
|
D13a .0981 .4064 -.2047 4.0 |
|
D13b .2684 .4029 -.1600 4.0 |
|
D14a .8377 .9461 .3123 4.0 |
|
D14b .9480 .8598 .1994 4.0 |
|
D15a .1244 .7198 .2011 4.0 |
|
D15b .0340 .6921 -.0030 4.0 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Waterhouseite |
| |
Pring A, Kolitsch U, Birch W D |
|
The Canadian Mineralogist 43 (2005) 1401-1410 |
|
Description and unique crystal-structure of waterhouseite, |
|
a new hydroxy manganese phosphate species from the Iron Monarch deposit, |
|
Middleback Ranges, South Australia |
|
Locality: Iron Monarch mine, Iron Knob, South Australia |
|
_database_code_amcsd 0006050 |
|
11.364 5.570 10.455 90 96.61 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 .5 0 .5 .0121 .0126 .0114 .0124 .0004 .0018 -.0002 |
|
Mn2 .04797 .53843 .36737 .0147 .0143 .0161 .0143 -.0014 .0037 -.0016 |
|
Mn3 .18562 .51473 .10420 .0132 .0130 .0137 .0130 -.0004 .0019 .0006 |
|
Mn4 .42873 .00344 .14595 .0133 .0153 .0115 .0132 -.0012 .0018 -.0002 |
|
P .27486 .3048 .35133 .0099 .0082 .0114 .0100 .0010 .0002 .0000 |
|
O1 .2819 .1883 .2186 .0156 .012 .019 .015 .0019 .0005 -.0008 |
|
O2 .1796 .1845 .4256 .0177 .019 .019 .015 .0007 .0013 .0026 |
|
O3 .3986 .3147 .4344 .0156 .013 .017 .016 -.0007 -.0007 .0029 |
|
O4 .2326 .5696 .3215 .0157 .018 .014 .015 .0026 .0022 -.0016 |
|
OH5 .3432 .6954 .0569 .0144 .014 .0145 .014 -.0013 .0028 .0005 |
|
OH6 .5401 .3039 .1800 .0152 .017 .0142 .014 -.0030 -.0016 -.0030 |
|
OH7 .0206 .3925 .1718 .0154 .015 .015 .017 -.0025 .0034 .0027 |
|
OH8 .1019 .6346 .5682 .0158 .014 .018 .016 .0000 .0014 -.0023 |
|
|
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|
| |
|
Hinsdalite |
|
Kolitsch U, Tiekink E R T, Slade P G, Taylor M R, Pring A |
| |
European Journal of Mineralogy 11 (1999) 513-520 |
|
Hinsdalite and plumbogummite, their atomic arrangements |
|
and disordered lead sites |
|
_database_code_amcsd 0006789 |
|
7.029 7.029 16.789 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) |
|
Pb .0312 .0312 0 1/6 .0276 .0275 .0275 .0272 .013 -.0005 .0005 |
|
Al .5 0 .5 .0141 .0127 .0132 .0165 .0066 .0002 .0003 |
|
P 0 0 .30764 .69 .0119 .0110 .0110 .0137 .0055 0 0 |
|
S 0 0 .30764 .31 .0119 .0110 .0110 .0137 .0055 0 0 |
|
O1 0 0 .6032 .0169 |
|
O2 .2163 -.2163 -.0578 .0135 |
|
OH3 .1266 -.1266 .1363 .0162 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Plumbogummite |
|
Kolitsch U, Tiekink E R T, Slade P G, Taylor M R, Pring A |
| |
European Journal of Mineralogy 11 (1999) 513-520 |
|
Hinsdalite and plumbogummite, their atomic arrangements |
|
and disordered lead sites |
|
_database_code_amcsd 0006790 |
|
7.039 7.039 16.761 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) |
|
Pb .0409 .0409 0 1/6 .0253 .0311 .0311 .0201 .0204 -.0018 .0018 |
|
Al .5 0 .5 .0073 .0050 .0054 .0117 .0027 .0002 .0003 |
|
P 0 0 .31002 .95 .0118 .0103 .0103 .0149 .0051 0 0 |
|
As 0 0 .31002 .05 .0118 .0103 .0103 .0149 .0051 0 0 |
|
O1 0 0 .5983 .0170 |
|
O2 .2142 -.2142 -.0574 .0164 |
|
OH3 .1260 -.1260 .13753 .0130 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Rhodizite |
|
Pring A, Din V K, Jefferson D A, Thomas J M |
|
Mineralogical Magazine 50 (1986) 163-172 |
|
The crystal chemistry of rhodizite: a re-examination |
|
Locality: Ambatofinandrahana, Ankarata Mts, Madagascar |
|
_database_code_amcsd 0014483 |
|
7.318 7.318 7.318 90 90 90 P-43m |
|
atom x y z occ Uiso |
|
K 0 0 0 .46 .0250 |
|
Cs 0 0 0 .36 .0250 |
|
Rb 0 0 0 .06 .0250 |
|
Na 0 0 0 .02 .0250 |
|
Al .3600 .3600 .3600 .0015 |
|
Be .7429 .7429 .7429 .0059 |
|
B .2482 .5 0 .9458 .0036 |
|
BeB .2482 .5 0 .0467 .0036 |
|
O1 .6189 .6189 .6189 .0024 |
|
O2 .3637 .3637 .0997 .0038 |
|
O3 .1347 .1347 .6013 .0036 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Carminite |
|
Kharisun, Taylor M R, Bevan D J M, Pring A |
|
Mineralogical Magazine 60 (1996) 805-811 |
|
The crystal structure of carminite: |
|
refinement and bond valence calculations |
|
Locality: Broken Hill, NSW, Australia |
|
_database_code_amcsd 0014520 |
|
16.591 7.580 12.285 90 90 90 Cccm |
|
atom x y z Uiso |
|
Pb1 0 0 .25 .0145 |
|
Pb2 .25 .75 0 .0115 |
|
Fe .37751 .1300 .13516 .0088 |
|
As1 .04286 .7384 0 .0070 |
|
As2 .21189 0 .25 .0054 |
|
O1 .0172 .2469 .1114 .009 |
|
O2 .0923 .5401 0 .011 |
|
O3 .1121 -.1041 0 .013 |
|
O4 .1512 .1758 .2415 .013 |
|
O5 .2723 -.0034 .1390 .0087 |
|
OH6 .1690 .2387 0 .006 |
|
OH7 .4222 0 .25 .011 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Kintoreite |
|
Kharisun, Taylor M R, Bevan D J M, Pring A |
|
Mineralogical Magazine 61 (1997) 123-129 |
|
The crystal structure of kintoreite, PbFe3(PO4)2(OH,H2O)6 |
|
Note: occupancy of P and As are switched from the reported values |
|
Locality: Kintore opencut, Broken Hill, New South Wales, Australia |
|
_database_code_amcsd 0014525 |
|
7.3310 7.3310 16.885 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) |
|
Pb -.0180 .0380 .0005 .0833 .03 .06 .03 .0138 .030 .00 -.00 |
|
Fe .5 0 .5 .0118 .0120 .0076 .0144 .0038 .0001 .0002 |
|
P 0 0 .3146 .73 .008 .0090 .0090 .007 .0045 .0 .0 |
|
As 0 0 .3146 .16 .008 .0090 .0090 .007 .0045 .0 .0 |
|
S 0 0 .3146 .11 .008 .0090 .0090 .007 .0045 .0 .0 |
|
O1 0 0 .5946 .019 .020 .020 .018 .01 .0 .0 |
|
O2 .2181 -.2181 -.0528 .019 .026 .026 .014 .019 .000 .000 |
|
OH3 .1283 -.1283 .1331 .010 .006 .006 .013 -.000 .001 -.001 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Mawbyite |
|
Kharisun, Taylor M R, Bevan D J M, Rae A D, Pring A |
|
Mineralogical Magazine 61 (1997) 685-691 |
|
The crystal structure of mawbyite, PbFe2(AsO4)2(OH)2 |
|
Locality: Broken Hill, New South Wales, Australia, type specimen |
|
_database_code_amcsd 0014531 |
|
9.066 6.286 7.564 90 114.857 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) |
|
Pb 0 0 0 .025 .024 .022 .028 0 -.003 0 |
|
Fe .25 .25 .5 .013 .012 .008 .017 .001 -.002 -.013 |
|
As .9176 .5 .2131 .016 .011 .016 .021 0 .001 0 |
|
O1 .3421 .5 .4101 .014 .003 .023 .015 0 -.004 0 |
|
O2 .3103 0 .3553 .018 .005 .021 .028 0 .000 0 |
|
O3 .0370 .2826 .2701 .018 .016 .014 .024 .004 -.001 -.008 |
|
O4 .2197 .5 .0127 .028 .024 .037 .023 0 -.004 0 |
|
H .2973 .5 .2646 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Duftite |
|
Kharisun, Taylor M R, Bevan D J M, Pring A |
|
Mineralogical Magazine 62 (1998) 121-130 |
|
The crystal chemistry of duftite, PbCuAsO4(OH) and the beta-duftite problem |
|
Note: sample is synthetic |
|
_database_code_amcsd 0014532 |
|
7.768 9.211 5.999 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 .3764 .1668 .4793 .0102 .0091 .0142 .0018 -.0002 .0002 |
|
Cu .2556 .4963 .7537 .014 .0071 .002 -.0006 -.001 -.0032 |
|
As .3686 -.1934 .5076 .0078 .0047 .007 -.0004 .0020 -.0003 |
|
O2 .142 .285 .765 .017 |
|
O3 .126 .305 .241 .012 |
|
O4 .541 -.085 .494 .012 |
|
O5 .197 -.085 .538 .020 |
|
OH1 .385 .438 .497 .008 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Dussertite |
|
Kolitsch U, Slade P G, Tiekink E R T, Pring A |
|
Mineralogical Magazine 63 (1999) 17-26 |
|
The structure of antimonian dussertite |
|
and the role of antimony in oxysalt minerals |
|
Locality: Clara mine, Black Forest, Germany |
|
_database_code_amcsd 0014536 |
|
7.410 7.410 17.4840 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) |
|
Ba 0 0 0 .0155 .0148 .0148 .0171 .0074 0 0 |
|
Fe .5 0 .5 .84 .0136 .0124 .0094 .0184 .0047 .0003 .0006 |
|
Sb .5 0 .5 .16 .0136 .0124 .0094 .0184 .0047 .0003 .0006 |
|
As 0 0 .31047 .0127 .0101 .0101 .0179 .0051 0 0 |
|
O1 0 0 .5929 .5 .018 |
|
OH1 0 0 .5929 .5 .018 |
|
O2 .2099 .7901 -.0554 .0145 |
|
OH3 .1260 .8740 .1366 .0131 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Plimerite |
|
Elliot P, Kolitsch U, Giester G, Libowitzky E, McCammon C, Pring A, Birch W D, Brugger J |
| |
Mineralogical Magazine 73 (2009) 131-148 |
|
Description and crystal structure of a new mineral - plimerite, ZnFe3+4(PO4)3(OH)5 - the |
|
Zn-analogue of rockbridgeite and frondelite, from Broken Hill, New South Wales, Australia |
|
Locality: Broken Hill, New South Wales, Australia |
|
_database_code_amcsd 0014590 |
|
13.865 16.798 5.151 90 90 90 Bbmm |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
FeM1 0 .5 0 .0091 .0095 .0074 .0103 0 0 -.0004 |
|
ZnM2 .06888 .65849 0 .58 .0168 .0158 .0086 .0259 0 0 -.0005 |
|
FeM2 .06888 .65849 0 .42 .0168 .0158 .0086 .0259 0 0 -.0005 |
|
FeM3 .32193 .63906 .2323 .94 .0087 .0095 .0068 .0097 .0001 .0014 -.0007 |
|
AlM3 .32193 .63906 .2323 .06 .0087 .0095 .0068 .0097 .0001 .0014 -.0007 |
|
P1 .14325 .54388 .5 .0096 .0091 .0056 .0141 0 0 -.0004 |
|
P2 .48312 .75 0 .0120 .0112 .0072 .0176 0 0 0 |
|
O1 .5464 .75 -.2479 .0201 .020 .0146 .025 0 .0123 0 |
|
O2 .0811 .55837 .2562 .0151 .0146 .0189 .0117 .0004 -.0038 -.0050 |
|
OH3 .3147 .75 .3801 .0144 .019 .008 .016 0 .008 0 |
|
O4 .1813 .4595 .5 .0278 .019 .0082 .056 0 0 .0042 |
|
OH5 .2154 .6745 0 .0198 .0139 .0099 .036 0 0 .0025 |
|
OH6 .0749 .3947 0 .0137 .0131 .0151 .0131 0 0 .0034 |
|
O7 .4211 .6745 0 .0160 .017 .0096 .021 0 0 -.0043 |
|
O8 .2238 .6063 .5 .0126 .0123 .0105 .0150 0 0 -.0020 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Plimerite |
|
Elliot P, Kolitsch U, Giester G, Libowitzky E, McCammon C, Pring A, Birch W D, Brugger J |
| |
Mineralogical Magazine 73 (2009) 131-148 |
|
Description and crystal structure of a new mineral - plimerite, ZnFe3+4(PO4)3(OH)5 - the |
|
Zn-analogue of rockbridgeite and frondelite, from Broken Hill, New South Wales, Australia |
|
Locality: Broken Hill, New South Wales, Australia |
|
_database_code_amcsd 0014590 |
|
13.865 16.798 5.151 90 90 90 Bbmm |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
FeM1 0 .5 0 .0091 .0095 .0074 .0103 0 0 -.0004 |
|
ZnM2 .06888 .65849 0 .58 .0168 .0158 .0086 .0259 0 0 -.0005 |
|
FeM2 .06888 .65849 0 .42 .0168 .0158 .0086 .0259 0 0 -.0005 |
|
FeM3 .32193 .63906 .2323 .94 .0087 .0095 .0068 .0097 .0001 .0014 -.0007 |
|
AlM3 .32193 .63906 .2323 .06 .0087 .0095 .0068 .0097 .0001 .0014 -.0007 |
|
P1 .14325 .54388 .5 .0096 .0091 .0056 .0141 0 0 -.0004 |
|
P2 .48312 .75 0 .0120 .0112 .0072 .0176 0 0 0 |
|
O1 .5464 .75 -.2479 .0201 .020 .0146 .025 0 .0123 0 |
|
O2 .0811 .55837 .2562 .0151 .0146 .0189 .0117 .0004 -.0038 -.0050 |
|
OH3 .3147 .75 .3801 .0144 .019 .008 .016 0 .008 0 |
|
O4 .1813 .4595 .5 .0278 .019 .0082 .056 0 0 .0042 |
|
OH5 .2154 .6745 0 .0198 .0139 .0099 .036 0 0 .0025 |
|
OH6 .0749 .3947 0 .0137 .0131 .0151 .0131 0 0 .0034 |
|
O7 .4211 .6745 0 .0160 .017 .0096 .021 0 0 -.0043 |
|
O8 .2238 .6063 .5 .0126 .0123 .0105 .0150 0 0 -.0020 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Nyholmite |
|
Elliott P, Turner P, Jensen P, Kolitsch U, Pring A |
| |
Mineralogical Magazine 73 (2009) 723-735 |
|
Description and crystal structure of nyholmite, a new mineral related to hureaulite, |
|
from Broken Hill,New South Wales, Australia |
|
Locality: Broken Hill, New South Wales, Australia |
|
_database_code_amcsd 0014593 |
|
18.062 9.341 9.844 90 96.17 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) |
|
CdM1 0 -.10841 .25 .73 .0156 .0164 .0107 .0194 0 .0006 0 |
|
ZnM1 0 -.10841 .25 .27 .0156 .0164 .0107 .0194 0 .0006 0 |
|
ZnM2 .31675 .08527 .68608 .31 .0182 .0215 .0109 .0219 -.0004 .0008 .0034 |
|
CuM2 .31675 .08527 .68608 .22 .0182 .0215 .0109 .0219 -.0004 .0008 .0034 |
|
CdM2 .31675 .08527 .68608 .19 .0182 .0215 .0109 .0219 -.0004 .0008 .0034 |
|
MnM2 .31675 .08527 .68608 .26 .0182 .0215 .0109 .0219 -.0004 .0008 .0034 |
|
AlM2 .31675 .08527 .68608 .02 .0182 .0215 .0109 .0219 -.0004 .0008 .0034 |
|
CdM3 .17497 .02916 .36559 .89 .01732 .0180 .0125 .0215 -.00115 .00223 -.00237 |
|
ZnM3 .17497 .02916 .36559 .08 .01732 .0180 .0125 .0215 -.00115 .00223 -.00237 |
|
CaM3 .17497 .02916 .36559 .01 .01732 .0180 .0125 .0215 -.00115 .00223 -.00237 |
|
PbM3 .17497 .02916 .36559 .02 .01732 .0180 .0125 .0215 -.00115 .00223 -.00237 |
|
AsT1 .08304 .18435 .08981 .66 .0130 .0146 .0094 .0148 .0015 .0006 -.0009 |
|
PT1 .08304 .18435 .08981 .34 .0130 .0146 .0094 .0148 .0015 .0006 -.0009 |
|
AsT2 .16130 .26692 .62387 .83 .0133 .0149 .0070 .0172 .00044 -.0012 -.00037 |
|
PT2 .16130 .26692 .62387 .17 .0133 .0149 .0070 .0172 .00044 -.0012 -.00037 |
|
O1 .1589 .2739 .1356 .0257 .024 .026 .027 -.0044 .0006 -.0025 |
|
OH2 .0109 .2964 .0791 .0310 .035 .029 .028 .0080 -.0015 -.0086 |
|
O3 .0755 .0663 .2090 .0270 .025 .022 .034 -.0036 .0009 .0081 |
|
O4 .0840 .1111 -.0615 .0260 .024 .029 .024 .0102 .0019 -.0045 |
|
O5 .1656 .2490 .4541 .0232 .029 .0184 .021 .0014 -.0023 -.0039 |
|
O6 .0725 .2749 .6557 .0241 .0205 .0174 .033 .0000 -.0007 -.0020 |
|
O7 .2054 .4160 .6779 .0216 .0193 .0159 .031 -.0019 .0084 -.0025 |
|
O8 .2048 .1281 .7023 .0247 .024 .0143 .036 .0017 .0051 .0076 |
|
Wat9 .4176 -.0033 .6613 .0364 .033 .031 .045 -.008 .003 .015 |
|
Wat10 .2604 -.0841 .5323 .0240 .026 .0220 .025 .0021 .0077 .0046 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Nordgauite |
| |
Birch W D, Grey I E, Mills S J, Pring A, Bougerol C, Ribabldi-Tunnicliffe A, |
|
Wilson N C, Keck E |
| |
Mineralogical Magazine 75 (2011) 269-278 |
|
Nordgauite, MnAl2(PO4)2(F,OH)2*5H2O, a new mineral from the Hagendorf-Sud |
|
pegmatite, Bavaria, Germany: description and crystal structure |
|
Locality: the Hagendorf-Sud pegmatite, Bavaria, Germany |
|
_database_code_amcsd 0018376 |
|
9.887 9.796 6.054 92.70 99.83 97.10 P-1 |
|
atom x y z occ Uiso |
|
Mn .5912 .4114 .3502 .87 .017 |
|
Ca .5912 .4114 .3502 .07 .017 |
|
Fe .5912 .4114 .3502 .04 .017 |
|
Zn .5912 .4114 .3502 .01 .017 |
|
Mg .5912 .4114 .3502 .01 .017 |
|
P(1) .8916 .7300 .7074 .013 |
|
P(2) .6689 .4390 .9183 .014 |
|
Al(1) 0 .5 0 .011 |
|
Al(2) 0 0 .5 .013 |
|
Al(3) .7963 .7182 .1841 .012 |
|
O(1) .7961 .6899 .4824 .016 |
|
O(2) .7981 .7456 .8815 .014 |
|
O(3) .9847 .8665 .6996 .016 |
|
O(4) .9892 .6220 .7707 .015 |
|
O(5) .8152 .4215 .8860 .016 |
|
O(6) .6007 .3091 .0098 .019 |
|
O(7) .5843 .4725 .6950 .017 |
|
O(8) .6722 .5539 .1068 .015 |
|
F(1) .9084 .8831 .2610 .020 |
|
F(2) .9466 .6235 .1914 .016 |
|
Ow1 .8239 .0576 .5524 .021 |
|
Ow2 .6402 .8210 .1723 .018 |
|
Ow3 .4573 .2194 .3759 .024 |
|
Ow4 .7906 .3354 .4509 .020 |
|
Ow5 .7476 .0746 .9839 .030 |
|
H(11) .8100 .1390 .5140 .041 |
|
H(12) .8050 .0490 .6520 .060 |
|
H(21) .6560 .8950 .1310 .042 |
|
H(22) .5690 .7820 .1130 .025 |
|
H(31) .4420 .2000 .5120 .031 |
|
H(32) .3750 .2270 .2880 .070 |
|
H(41) .8520 .3490 .3580 .037 |
|
H(42) .8170 .3580 .5770 .049 |
|
H(51) .8380 .0890 10560 .047 |
|
H(52) .7240 .1590 .9950 .090 |
|
|
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|
| |
|
Gatehouseite |
|
Elliott P, Pring A |
| |
Mineralogical Magazine 75 (2011) 2823-2832 |
|
The crystal structure of gatehouseite |
|
Locality: Iron Monarch quarry, Iron Knob, South Australia, Australia |
|
_database_code_amcsd 0018567 |
|
17.9733 5.6916 9.130 90 90 90 P2_12_12_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 .43287 .26702 .75423 .0127 .0142 .0136 .0105 .0000 .0001 -.0003 |
|
Mn2 .02916 .05350 .89058 .0136 .0142 .0128 .0136 .0013 -.0014 -.0002 |
|
Mn3 .22447 .06464 .85360 .0127 .0148 .0120 .0112 .0007 -.0015 -.0002 |
|
Mn4 .12506 .55556 .87768 .0108 .0128 .0098 .0098 -.0001 .0004 -.0003 |
|
Mn5 .32013 .58215 -.00286 .0137 .0159 .0128 .0125 -.0001 -.0017 .0003 |
|
P1 .37369 .1163 .07189 .88 .0132 .0165 .0141 .0089 -.0001 .0000 -.0003 |
|
Si1 .37369 .1163 .07189 .09 .0132 .0165 .0141 .0089 -.0001 .0000 -.0003 |
|
As1 .37369 .1163 .07189 .03 .0132 .0165 .0141 .0089 -.0001 .0000 -.0003 |
|
P2 .12297 .1934 .17988 .88 .0087 .0111 .0094 .0055 .0005 -.0017 .0001 |
|
Si2 .12297 .1934 .17988 .09 .0087 .0111 .0094 .0055 .0005 -.0017 .0001 |
|
As2 .12297 .1934 .17988 .03 .0087 .0111 .0094 .0055 .0005 -.0017 .0001 |
|
Oh1 .0486 .7275 .0169 .0173 .019 .019 .014 .001 -.001 -.005 |
|
Oh2 .2042 .3842 .7371 .0155 .014 .015 .017 .001 .001 .0004 |
|
Oh3 .0440 .3658 .7560 .0174 .021 .019 .013 .002 .001 .0035 |
|
Oh4 .2165 .7409 -.0300 .0176 .021 .022 .010 -.0032 -.0019 .001 |
|
O5 .1437 .4287 .2575 .0157 .024 .0133 .010 .000 -.003 -.0017 |
|
O6 .1273 .2246 .0091 .0148 .017 .0154 .012 .0030 -.003 .002 |
|
O7 .1732 -.0138 .2280 .0167 .019 .014 .017 -.0013 -.001 .0029 |
|
O8 .0427 .1159 .2190 .0187 .017 .019 .020 -.005 -.002 .001 |
|
O9 .3760 .1170 .2434 .0141 .018 .0165 .008 -.0007 -.0011 .000 |
|
O10 .2969 .2115 .0201 .0183 .016 .019 .020 -.001 -.002 .001 |
|
O11 .4311 .2926 .0037 .0179 .021 .021 .012 .002 -.002 -.005 |
|
O12 .3909 .8645 .0188 .0176 .018 .022 .013 -.002 -.0023 -.0020 |
|
H1 .002 .649 .017 .05 |
|
H2 .245 .487 .761 .05 |
|
H3 .074 .330 .672 .05 |
|
H4 .212 .785 .072 .05 |
|
|
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|
| |
|
Johntomaite |
|
Kolitsch U, Pring A, Tiekink E R T |
| |
Mineralogy and Petrology 70 (2000) 1-14 |
|
Johntomaite, a new member of the bjarebyite group of barium phosphates: |
|
description and structure refinement |
|
Locality: Spring Creek copper mine, southern Flinders Ranges, South Australia |
|
_database_code_amcsd 0014643 |
|
9.200 12.369 5.003 90 100.21 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) |
|
Ba .54487 .75 .73958 .0117 .0096 .0163 .0093 0 .0021 0 |
|
Fe1 .2972 -.10945 .2086 .85 .0114 .0090 .0123 .0128 .0008 .0022 .00013 |
|
Ca .2972 -.10945 .2086 .15 .0114 .0090 .0123 .0128 .0008 .0022 .00013 |
|
Fe2 .09465 .39959 .1362 .0085 .0081 .0106 .0074 -.0000 .0026 -.0001 |
|
P1 .1602 .75 .6809 .0076 .0064 .0122 .0046 0 .0020 0 |
|
P2 .3380 .44172 .7117 .0080 .0073 .0121 .0048 .0004 .0012 .0004 |
|
O1 .2755 .75 .941 .022 |
|
O2 .2400 .75 .438 .0095 |
|
O3 .0626 .6490 .6742 .0131 |
|
O4 .3715 .5529 .6110 .0148 |
|
O5 .2679 .4551 .9745 .0137 |
|
O6 .2306 .3816 .4913 .0148 |
|
O7 .4744 .3702 .7900 .0119 |
|
OH8 .1334 .25 .001 .013 |
|
OH9 .0622 .5603 .1930 .0097 |
|
|
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|
| |
|
Springcreekite |
|
Kolitsch U, Taylor M R, Fallon G D, Pring A |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 1999 (1999) 529-544 |
|
Springcreekite, BaV(3+)3(PO4)2(OH,H2O)6, a new member of the crandallite group, |
|
from the Spring Creek mine, South Australia: the first natural V(3+)-member of |
|
the alunite family and its crystal structure |
|
Locality: Spring Creek mine, South Australia |
|
_database_code_amcsd 0014903 |
|
7.2430 7.2430 17.38539 90 90 120 R-3m |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ba 0 0 0 .0113 .0113 .0060 0 0 .0057 |
|
V .5 0 .5 .57 .0125 .0078 .0088 -.00084 -.00042 .0062 |
|
Fe .5 0 .5 .43 .0125 .0078 .0088 -.00084 -.00042 .0062 |
|
P 0 0 .30500 .0067 .0067 .0077 0 0 .0033 |
|
O1 0 0 .6056 .0128 .0128 .0079 0 0 .0064 |
|
O2 .21732 .78268 .94279 .0112 .0112 .0090 -.0002 .0002 .0073 |
|
OH3 .12715 .87285 .13528 .69 .0077 .0077 .0125 .0005 -.0005 .0017 |
|
Wat3 .12715 .87285 .13528 .30 .0077 .0077 .0125 .0005 -.0005 .0017 |
|
F3 .12715 .87285 .13528 .01 .0077 .0077 .0125 .0005 -.0005 .0017 |
|
|
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|
| |
|
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 |
|
6.317 7.698 9.768 105.53 99.24 90.09 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) |
|
Na .439 .7184 .4298 .67 .056 .12 .016 .028 .004 .009 .008 |
|
Ca .439 .7184 .4298 .33 .056 .12 .016 .028 .004 .009 .008 |
|
Fe1 .5 0 0 .013 .02 .018 .004 -.009 .002 .003 |
|
Fe2 0 0 0 .017 .03 .017 .003 .003 .002 .004 |
|
Fe3 .7976 .6972 .1730 .024 .02 .016 .033 -.003 .010 .003 |
|
P1 .177 .8785 .7118 .015 .01 .013 .026 .005 .009 .005 |
|
P2 .278 .6868 .1002 .021 .02 .012 .033 .002 .006 .010 |
|
O1 .832 .940 .323 .021 .02 .020 .024 -.010 -.003 .008 |
|
O2 .157 .723 .572 .023 .03 .015 .028 .001 .014 -.001 |
|
O3 .011 .143 .204 .034 .06 .019 .029 .002 .018 .007 |
|
O4 .414 .861 .802 .046 .09 .019 .026 -.025 -.007 .004 |
|
O5 .482 .686 .191 .019 |
|
O6 .114 .683 .195 .020 |
|
O7 .771 .463 .038 .024 |
|
O8 .262 .871 .059 .017 .01 .018 .031 .002 .009 .012 |
|
OH .242 .165 .976 .027 .03 .029 .027 -.013 -.003 .013 |
|
Wat1 .831 .611 .372 .035 .07 .024 .023 .002 .007 .019 |
|
Wat2 .351 .394 .349 .05 .08 .044 .036 -.02 .005 .004 |
|
Wat3 .669 .979 .584 .06 .11 .011 .054 .02 .005 .013 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Veatchite |
|
Grice J D, Pring A |
| |
American Mineralogist 97 (2012) 489-495 |
|
Veatchite: structural relationships of the three polytypes |
|
Note: low-T, low-P polytype veatchite-1A |
|
Locality: Emet deposit, Kutahya, Turkey |
|
_database_code_amcsd 0018910 |
|
6.6378 6.7387 20.982 87.860 82.6960 60.476 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) |
|
Sr1 .31005 .34956 .059592 .966 .01025 .00903 .00682 .01586 -.00468 -.00124 -.00015 |
|
Ca1 .31005 .34956 .059592 .034 .01025 .00903 .00682 .01586 -.00468 -.00124 -.00015 |
|
Sr2 .34464 .84380 .447821 .947 .00983 .00905 .00690 .01463 -.00472 -.00179 .00060 |
|
Ca2 .34464 .84380 .447821 .053 .00983 .00905 .00690 .01463 -.00472 -.00179 .00060 |
|
B1 .2661 .3453 .42679 .0091 .0066 .0068 .0158 -.0046 -.0014 .0000 |
|
B2 .6547 .4989 .19080 .0141 .0179 .0111 .0139 -.0078 -.0014 -.0002 |
|
B3 -.1229 .9461 .30662 .0158 .0227 .0088 .0147 -.0070 -.0021 .0006 |
|
B4 .2077 .9394 .06618 .0090 .0091 .0093 .0114 -.0064 -.0021 .0010 |
|
B5 -.1371 .4311 .43125 .0097 .0086 .0041 .0173 -.0036 -.0031 .0011 |
|
B6 .2322 .3299 .21354 .0167 .0195 .0122 .0173 -.0072 -.0018 .0009 |
|
B7 -.1080 .8550 .07135 .0103 .0095 .0100 .0127 -.0058 -.0007 -.0003 |
|
B8 .0425 .2606 .59149 .0085 .0067 .0047 .0146 -.0030 -.0020 -.0013 |
|
B9 .8030 .2545 .09105 .0091 .0091 .0042 .0150 -.0040 -.0016 -.0009 |
|
B10 .2860 .8396 .59119 .0078 .0087 .0023 .0130 -.0031 -.0019 .0006 |
|
B11 .6242 .6757 .08682 .0083 .0055 .0054 .0136 -.0024 -.0010 -.0001 |
|
O1 .4851 .1727 .43212 .0109 .0069 .0053 .0221 -.0042 -.0011 .0002 |
|
O2 .0996 .2731 .42602 .0107 .0051 .0049 .0233 -.0028 -.0033 .0002 |
|
O3 .1963 .5713 .42408 .0120 .0067 .0047 .0252 -.0028 -.0043 .0021 |
|
O4 .7694 .2861 .16202 .0139 .0188 .0073 .0137 -.0052 -.0014 .0005 |
|
O5 .5750 .6933 .15660 .0146 .0201 .0080 .0126 -.0050 .0001 -.0010 |
|
Oh6 .6143 .5253 .25625 .0297 .0522 .0099 .0142 -.0062 -.0013 .0027 |
|
O7 .2443 .8454 .66116 .0128 .0169 .0066 .0116 -.0034 -.0017 .0013 |
|
O8 -.0350 .7461 .33865 .0143 .0226 .0072 .0128 -.0067 -.0040 .0012 |
|
Oh9 -.0855 .9280 .24113 .0314 .0540 .0083 .0148 -.0030 -.0012 -.0007 |
|
O10 .0515 .1665 .06762 .0120 .0071 .0081 .0212 -.0040 -.0011 -.0003 |
|
O11 .4396 .8727 .05696 .0105 .0077 .0081 .0170 -.0046 -.0027 .0020 |
|
O12 .1290 .7837 .07103 .0126 .0098 .0066 .0239 -.0054 -.0041 .0016 |
|
O13 .3028 .6311 .56376 .0108 .0098 .0058 .0186 -.0055 -.0006 -.0013 |
|
O14 .7927 .6582 .43436 .0114 .0079 .0058 .0223 -.0049 -.0015 .0006 |
|
Oh15 .3392 .1444 .17376 .0231 .0331 .0103 .0201 -.0067 -.0009 -.0021 |
|
Oh16 .2062 .3221 .27883 .0356 .0593 .0107 .0204 -.0063 .0016 -.0008 |
|
Oh17 .1559 .5254 .17982 .0295 .0526 .0128 .0145 -.0099 -.0030 .0023 |
|
O18 .8451 .6819 .06545 .0126 .0095 .0074 .0236 -.0063 -.0017 -.0009 |
|
O19 .7353 .0824 .07612 .0125 .0074 .0072 .0253 -.0053 -.0030 -.0002 |
|
O20 .1069 .0415 .56264 .0090 .0093 .0039 .0143 -.0032 -.0040 .0006 |
|
O21 .6523 .4646 .06122 .0102 .0098 .0042 .0168 -.0033 -.0032 -.0008 |
|
OW22 .3696 .8974 .33220 .0348 .0599 .0153 .0156 -.0096 .0011 .0012 |
|
H6 .656 .436 .2739 .011 |
|
H9 -.155 .053 .224 .052 |
|
H15 .414 .016 .1852 .021 |
|
H16 .150 .439 .2891 .039 |
|
H17 .067 .689 .212 .10 |
|
H221 .418 .814 .307 .059 |
|
H222 .320 .011 .3135 .039 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Veatchite |
|
Grice J D, Pring A |
| |
American Mineralogist 97 (2012) 489-495 |
|
Veatchite: structural relationships of the three polytypes |
|
Note: high-T polytype veatchite-1M, formally known as veatchite-p |
|
Locality: Konigshall-Hindenburg potash-salt mine, Reyershausen, Germany |
|
_database_code_amcsd 0018911 |
|
6.7127 20.704 6.6276 90 119.209 90 P2_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) |
|
Sr1 .37767 .735704 .18596 .930 .01213 .01102 .01406 .01232 -.00032 .00650 -.00038 |
|
Ca1 .37767 .735704 .18596 .070 .01213 .01102 .01406 .01232 -.00032 .00650 -.00038 |
|
Sr2 .92811 .348527 .48201 .769 .01199 .01168 .01228 .01271 .00053 .00650 .00046 |
|
Ca2 .92811 .348527 .48201 .231 .01199 .01168 .01228 .01271 .00053 .00650 .00046 |
|
B1 .3912 .88505 .1924 .0104 .0098 .0123 .0104 .0012 .0060 -.0013 |
|
B2 .3402 .36319 .3809 .0120 .0125 .0120 .0136 -.0004 .0081 -.0006 |
|
B3 .1906 .98754 .1080 .0182 .0140 .0130 .0256 -.0007 .0082 .0006 |
|
B4 .9707 .88617 .0120 .0109 .0103 .0103 .0122 .0002 .0057 -.0010 |
|
B5 .4264 .36884 .0670 .0120 .0114 .0128 .0132 .0001 .0070 -.0004 |
|
B6 .5243 .20401 .3087 .0118 .0105 .0140 .0111 .0011 .0053 .0003 |
|
B7 .7875 .72908 .0843 .0116 .0121 .0105 .0135 -.0005 .0072 .0010 |
|
B8 .1268 .22364 .2291 .0127 .0131 .0143 .0123 -.0007 .0075 -.0005 |
|
B9 .0537 .70695 .5105 .0110 .0087 .0139 .0110 .0004 .0052 .0001 |
|
B10 .4123 .58161 .1770 .0203 .0196 .0157 .0239 .0007 .0092 -.0003 |
|
B11 .7550 .10360 .4056 .0158 .0127 .0133 .0203 -.0010 .0070 -.0002 |
|
O1 .0458 .63737 .4946 .0158 .0118 .0109 .0234 -.0007 .0076 -.0013 |
|
O2 .7372 .23382 .4728 .0122 .0089 .0131 .0146 .0020 .0057 -.0005 |
|
O3 .8540 .73725 .3124 .0126 .0112 .0141 .0129 .0019 .0063 .0002 |
|
O4 .5960 .85745 .3919 .0134 .0112 .0182 .0111 .0032 .0056 .0011 |
|
O5 .4980 .36890 .3043 .0141 .0105 .0216 .0115 -.0034 .0063 -.0013 |
|
O6 .9541 .22933 .2784 .0137 .0113 .0194 .0122 -.0002 .0072 .0003 |
|
O7 .4402 .22892 .0715 .0147 .0108 .0218 .0133 .0006 .0073 .0006 |
|
O8 .3938 .95580 .2068 .0166 .0120 .0117 .0246 -.0024 .0078 -.0027 |
|
O9 .5997 .36352 .0180 .0144 .0112 .0209 .0122 .0012 .0067 .0011 |
|
O10 .3528 .21929 .3832 .0134 .0092 .0219 .0102 .0006 .0056 -.0001 |
|
O11 .7996 .87110 .0881 .0142 .0107 .0199 .0132 -.0014 .0068 -.0007 |
|
O12 .9444 .72414 .0081 .0149 .0109 .0213 .0126 .0023 .0058 -.0005 |
|
O13 .1139 .36063 .2256 .0139 .0110 .0189 .0115 -.0009 .0053 .0008 |
|
Oh14 .5950 .62125 .2592 .0249 .0163 .0174 .0354 -.0023 .0083 .0002 |
|
O15 .1849 .85711 .1781 .0114 .0086 .0144 .0124 .0012 .0060 .0012 |
|
Oh16 .1795 .05382 .1027 .0353 .0142 .0122 .0651 -.0017 .0081 -.0015 |
|
O17 .9858 .95627 .0020 .0169 .0120 .0112 .0241 -.0012 .0063 .0001 |
|
Oh18 .2154 .61552 .0865 .0320 .0163 .0145 .0577 .0017 .0122 -.0013 |
|
Oh19 .7708 .03803 .4098 .0318 .0171 .0114 .0582 -.0015 .0117 -.0008 |
|
OW20 .8608 .46388 .4487 .0378 .0208 .0188 .0600 -.0027 .0090 .0042 |
|
O21 .5472 .13335 .3049 .0168 .0131 .0129 .0225 -.0016 .0071 -.0027 |
|
Oh22 .4278 .51644 .1884 .0362 .0167 .0156 .0635 -.0007 .0096 .0013 |
|
H14 .738 .607 .334 .062 |
|
H16 .288 .070 .150 .033 |
|
H18 .089 .594 .019 .027 |
|
H19 .656 .015 .355 .027 |
|
H20A .757 .476 .346 .08 |
|
H20B .965 .495 .496 .035 |
|
H22 .314 .500 .147 .061 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Veatchite |
|
Grice J D, Pring A |
| |
American Mineralogist 97 (2012) 489-495 |
|
Veatchite: structural relationships of the three polytypes |
|
Note: moderate-T, high-P polytype veatchite-2M |
|
Locality: Penobsquis deposit, Sussex, New Brunswick, Canada |
|
_database_code_amcsd 0018912 |
|
6.6070 11.7125 20.6848 90 91.998 90 Cc |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Sr1 .932421 .310290 .712413 .90 .01120 .00968 .00849 .01550 -.00026 .00143 -.00014 |
|
Ca1 .932421 .310290 .712413 .10 .01120 .00968 .00849 .01550 -.00026 .00143 -.00014 |
|
Sr2 .90046 -.03728 .599674 .48 .01406 .01432 .01208 .01587 .00055 .00185 -.00099 |
|
Ca2 .90046 -.03728 .599674 .52 .01406 .01432 .01208 .01587 .00055 .00185 -.00099 |
|
B1 .6298 .10495 .71821 .0112 .0121 .0073 .0142 -.0013 -.0016 .0002 |
|
B2 .9210 .29187 .86676 .0172 .0211 .0134 .0173 .0032 .0035 .0004 |
|
B3 .2054 .16975 .58534 .0117 .0092 .0128 .0131 .0017 .0011 .0007 |
|
B4 .7733 .56177 .72396 .0123 .0100 .0101 .0167 .0015 -.0010 .0015 |
|
B5 .5625 .21317 .58033 .0115 .0105 .0124 .0117 .0025 .0018 -.0025 |
|
B6 .9170 .40588 .46028 .0165 .0240 .0100 .0155 -.0005 .0004 -.0015 |
|
B7 .4131 .37624 .84453 .0161 .0172 .0177 .0138 -.0001 .0033 -.0015 |
|
B8 .9242 -.02903 .74006 .0104 .0102 .0038 .0173 -.0012 .0015 -.0011 |
|
B9 .9102 .30440 .56329 .0108 .0098 .0110 .0120 .0011 .0042 .0012 |
|
B10 .3919 .26032 .74332 .0105 .0116 .0082 .0121 .0001 .0038 -.0014 |
|
B11 .9427 .48615 .06241 .0106 .0099 .0058 .0160 .0004 -.0006 .0001 |
|
O1 .58736 .21838 .71922 .0132 .0114 .0067 .0216 .0020 .0021 -.0028 |
|
O2 .97564 .52665 .72366 .0131 .0097 .0084 .0215 .0030 .0030 .0011 |
|
O3 .82396 .07215 .70928 .0113 .0109 .0064 .0169 .0024 .0026 .0033 |
|
Oh4 .9169 .20046 .82657 .0251 .0436 .0112 .0207 .0008 .0017 -.0021 |
|
Oh5 .9265 .39053 .83304 .0307 .0635 .0122 .0166 -.0022 .0025 -.0012 |
|
Oh6 .9195 .28373 .93207 .0347 .0751 .0140 .0152 .0013 .0058 -.0014 |
|
O7 .8594 -.25133 .57949 .0130 .0128 .0053 .0208 -.0017 .0010 -.0008 |
|
O8 .24678 .05615 .58803 .0133 .0093 .0092 .0215 .0005 .0019 .0007 |
|
O9 .00892 .20200 .59045 .0124 .0096 .0092 .0186 .0020 .0018 .0034 |
|
O10 .23158 .17507 .72737 .0126 .0113 .0059 .0205 -.0020 .0004 .0003 |
|
O11 .63717 .47511 .71920 .0131 .0088 .0084 .0224 -.0007 .0025 -.0012 |
|
O12 .60609 .09991 .57796 .0124 .0104 .0072 .0197 .0008 .0008 .0002 |
|
O13 .69558 .30054 .58479 .0132 .0098 .0081 .0220 .0016 .0035 -.0006 |
|
O14 .9146 .30444 .49212 .0154 .0240 .0111 .0112 -.0039 .0012 -.0014 |
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Oh15 .4136 .08760 .89391 .0328 .0700 .0132 .0153 .0035 .0029 .0023 |
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O16 .9181 .49160 .99184 .0156 .0243 .0094 .0129 -.0018 -.0005 .0010 |
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O17 .4115 .27265 .81443 .0145 .0231 .0079 .0127 -.0001 .0023 .0010 |
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O18 .9141 -.02357 .81022 .0145 .0222 .0071 .0142 .0015 -.0003 -.0017 |
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Oh19 .9194 .11520 .41017 .0290 .0645 .0091 .0135 .0007 .0020 -.0005 |
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O20 .00514 .40661 .59166 .0105 .0104 .0092 .0119 -.0008 -.0006 -.0002 |
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O21 .33308 .36744 .71303 .0111 .0124 .0050 .0157 .0005 .0004 .0006 |
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OW22 .8907 -.06724 .48725 .0329 .0606 .0129 .0253 .0002 .0052 .0030 |
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H4 .922 .139 .8336 .016 |
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H5 .908 .454 .8469 .028 |
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H6 .875 .333 .9477 .045 |
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H15 .410 .145 .8739 .030 |
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H19 .885 .174 .4306 .062 |
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H221 .905 -.026 .4663 .030 |
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H222 .886 -.131 .4779 .012 |
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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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