|
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Edwardsite |
|
Elliot P, Brugger J, Caradoc-Davies T |
| |
Mineralogical Magazine 74 (2010) 39-53 |
|
Description and crystal structure of a new mineral, edwardsite, |
|
Cu3Cd2(SO4)2(OH)6·4H2O, from Broken Hill, New South Wales, Australia |
|
Locality: Block 14 Opencut, Broken Hill, New South Wales, Australia |
|
_database_code_amcsd 0014597 |
|
10.863 13.129 11.169 90 113.04 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) |
|
Cu1 .52495 .74448 1.01316 .0095 .0117 .0060 .0105 -.0010 .0041 .0003 |
|
Cu2 .5 .5 1 .0093 .0111 .0067 .0096 -.0014 .0036 -.0007 |
|
Cu3 .5 .5 .5 .0095 .0115 .0065 .0103 .0007 .0042 .0013 |
|
Cu4 .49372 .37193 .74106 .0091 .0115 .0059 .0105 -.0003 .0050 .0005 |
|
Cd1 -.00341 .56798 .31880 .0103 .0103 .0079 .0123 .00036 .0039 -.00009 |
|
Cd2 .56339 .61959 .77299 .89 .0117 .0201 .0057 .0105 -.00116 .0074 -.00215 |
|
Zn .56339 .61959 .77299 .11 .0117 .0201 .0057 .0105 -.00116 .0074 -.00215 |
|
S1 .18421 .38395 .49236 .0092 .0103 .0069 .0101 .0000 .0037 .0006 |
|
S2 .19454 .61158 .89026 .0095 .0101 .0077 .0115 -.0018 .0051 -.0007 |
|
O1 .1302 .2814 .4883 .0157 .021 .007 .020 .0017 .008 -.0021 |
|
O2 .3292 .3803 .5269 .0112 .010 .014 .007 -.0018 .0001 .0002 |
|
O3 .1550 .4483 .5877 .0118 .014 .009 .015 -.0018 .0083 .0016 |
|
O4 .1222 .4307 .3604 .0125 .017 .011 .010 .0044 .0054 .0050 |
|
O5 .3288 .6217 .9932 .0133 .012 .012 .015 -.0006 .0038 -.0011 |
|
O6 .1857 .6688 .7728 .0141 .017 .013 .012 .0029 .0056 .0006 |
|
O7 .0944 .6526 .9380 .0139 .018 .011 .015 -.0020 .0084 -.0003 |
|
O8 .1663 .5021 .8562 .0134 .013 .009 .016 -.0012 .0025 .0019 |
|
OH9 .6077 .6175 .9863 .0148 .013 .011 .020 -.0037 .005 -.0012 |
|
OH10 .6095 .7275 1.2014 .0110 .011 .008 .012 .0000 .0023 .0032 |
|
OH11 .5573 .2527 .6770 .0126 .017 .009 .014 .0033 .0082 .0031 |
|
OH12 .4316 .4903 .8079 .0114 .012 .011 .013 -.0048 .0061 -.0031 |
|
OH13 .4426 .6310 .5499 .0110 .014 .007 .012 .0006 .0049 .0014 |
|
OH14 .4044 .5295 .3157 .0125 .013 .014 .012 .0012 .0070 .0011 |
|
Wat15 .1335 .6248 .2090 .0175 .020 .016 .019 -.0002 .011 -.0026 |
|
Wat16 .1566 .6507 .4978 .0138 .015 .009 .018 .0015 .0068 .0001 |
|
Wat17 -.1000 .7201 .2504 .0173 .024 .008 .019 .0018 .007 .0016 |
|
Wat18 .7994 .5979 .8606 .0247 .017 .023 .031 -.001 .006 -.004 |
|
H1 .700 .615 1.011 .035 |
|
H2 .698 .707 1.226 .035 |
|
H3 .644 .228 .700 .035 |
|
H4 .336 .488 .771 .035 |
|
H5 .353 .634 .534 .035 |
|
H6 .321 .556 .302 .035 |
|
H7 .143 .696 .206 .035 |
|
H8 .116 .601 .125 .035 |
|
H9 .135 .720 .494 .035 |
|
H10 .145 .625 .570 .035 |
|
H11 -.102 .751 .171 .035 |
|
H12 -.042 .769 .312 .035 |
|
H13 .837 .655 .913 .035 |
|
H14 .862 .572 .831 .035 |
|
|
| 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.
