|
Montroseite |
 |
Evans H T, Block S |
 |
American Mineralogist 38 (1953) 1242-1250 |
|
The crystal structure of montroseite, a vanadium member of the diaspore group |
|
_database_code_amcsd 0000062 |
|
4.54 9.97 3.03 90 90 90 Pbnm |
|
atom x y z occ Biso |
|
Fe -.051 .145 .25 .125 0.4 |
|
V -.051 .145 .25 .875 0.4 |
|
OH1 .297 -.197 .25 0.4 |
|
O2 -.197 -.051 .25 0.4 |
|
|
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|
| |
|
Montroseite |
|
Evans H T, Mrose M E |
|
American Mineralogist 40 (1955) 861-875 |
|
A crystal chemical study of montroseite and paramontroseite. |
|
_database_code_amcsd 0000073 |
|
4.54 9.97 3.03 90 90 90 Pbnm |
|
atom x y z Biso |
|
V -.0517 .1455 .25 .32 |
|
OH1 .301 -.197 .25 .32 |
|
O2 -.198 -.054 .25 .32 |
|
|
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|
| |
|
Paramontroseite |
|
Evans H T, Mrose M E |
|
American Mineralogist 40 (1955) 861-875 |
|
A crystal chemical study of montroseite and paramontroseite. |
|
_database_code_amcsd 0000074 |
|
4.89 9.39 2.93 90 90 90 Pbnm |
|
atom x y z Biso |
|
V .088 .143 .25 2.42 |
|
O1 .106 -.235 .25 2.42 |
|
O2 -.227 -.013 .25 2.42 |
|
|
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|
| |
|
Smythite |
|
Erd R C, Evans H T, Richter D H |
|
American Mineralogist 42 (1957) 309-333 |
|
Smythite, a new iron sulfide, and associated pyrrhotite from Indiana |
|
_database_code_amcsd 0000080 |
|
3.47 3.47 34.5 90 90 120 R-3m |
|
atom x y z |
|
Fe1 0 0 .5 |
|
Fe2 0 0 .4171 |
|
S1 0 0 .2888 |
|
S2 0 0 .1270 |
|
|
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|
| |
|
Wurtzite-10H |
| |
Evans H T, McKnight E T |
|
American Mineralogist 44 (1959) 1210-1218 |
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New wurtzite polytypes from Joplin, Missouri |
|
_database_code_amcsd 0000088 |
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3.824 3.824 31.20 90 90 120 P6_3mc |
|
atom x y z |
|
Zn1 0 0 0 |
|
Zn2 0 0 .300 |
|
Zn3 1/3 2/3 .100 |
|
Zn4 1/3 2/3 .400 |
|
Zn5 1/3 2/3 .700 |
|
S1 0 0 .075 |
|
S2 0 0 .375 |
|
S3 1/3 2/3 .175 |
|
S4 1/3 2/3 .475 |
|
S5 1/3 2/3 .775 |
|
|
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|
| |
|
Wurtzite-8H |
| |
Evans H T, McKnight E T |
|
American Mineralogist 44 (1959) 1210-1218 |
|
New wurtzite polytypes from Joplin, Missouri |
|
_database_code_amcsd 0000089 |
|
3.82 3.82 24.96 90 90 120 P6_3mc |
|
atom x y z |
|
Zn1 0 0 0 |
|
Zn2 1/3 2/3 .125 |
|
Zn3 1/3 2/3 .375 |
|
Zn4 1/3 2/3 .75 |
|
S1 0 0 .0938 |
|
S2 1/3 2/3 .2188 |
|
S3 1/3 2/3 .4688 |
|
S4 1/3 2/3 .8438 |
|
|
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|
| |
|
Haggite |
|
Evans H T, Mrose M E |
|
American Mineralogist 45 (1960) 1144-1166 |
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A crystal chemical study of the vanadium oxide minerals, haggite and doloresite |
|
_database_code_amcsd 0000094 |
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12.17 2.99 4.83 90 98.25 90 C2/m |
|
atom x y z Biso |
|
V .1378 0 .3967 4.16 |
|
O1 0 0 .5 5.87 |
|
O2 .6094 0 .1330 4.90 |
|
O3 .3026 0 .3460 5.14 |
|
|
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|
| |
|
Doloresite |
|
Evans H T, Mrose M E |
|
American Mineralogist 45 (1960) 1144-1166 |
|
A crystal chemical study of the vanadium oxide minerals, haggite and doloresite |
|
_database_code_amcsd 0000095 |
|
19.64 2.99 4.83 90 103.92 90 C2/m |
|
atom x y z Biso |
|
V1 0 0 .5 2.26 |
|
V2 .1766 0 .368 2.43 |
|
O1 .4700 0 .248 5.47 |
|
O2 .0950 0 .427 10.17 |
|
O3 .6650 0 .095 5.17 |
|
O4 .2860 0 .362 4.31 |
|
|
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|
| |
|
Abernathyite |
|
Ross M, Evans H T |
|
American Mineralogist 49 (1964) 1578-1602 |
|
Studies of the torbernite minerals (I): The crystal structure of abernathyite |
|
and the structurally related compounds NH4(UO2AsO4).3H2O and K(H3O)(UO2AsO4)2.6H2O |
|
_database_code_amcsd 0000130 |
|
7.176 7.176 18.126 90 90 90 *P4/ncc |
|
.25 -.25 0 |
|
atom x y z occ Biso |
|
As .75 .25 0 1.84 |
|
U .25 .25 .0514 1.90 |
|
Oa .25 .25 .1515 2.99 |
|
Ob .25 .25 .9575 2.48 |
|
Oc .6963 .0729 .4433 2.75 |
|
OHd .1650 .9876 .3154 .75 3.71 |
|
K .1650 .9876 .3154 .25 3.71 |
|
|
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|
| |
|
Abernathyite |
|
Ross M, Evans H T |
|
American Mineralogist 49 (1964) 1578-1602 |
|
Studies of the torbernite minerals (I): The crystal structure of abernathyite |
|
and the structurally related compounds NH4(UO2AsO4).3H2O and K(H3O)(UO2AsO4)2.6H2O |
|
Sample : Abernathyite - NH4 |
|
_database_code_amcsd 0000131 |
|
7.189 7.189 18.191 90 90 90 *P4/ncc |
|
.25 -.25 0 |
|
atom x y z occ Biso |
|
As .75 .25 0 1.68 |
|
U .25 .25 .0512 2.54 |
|
Oa .25 .25 .151 |
|
Ob .25 .25 .956 3.0 |
|
Oc .696 .076 .447 |
|
OHd .158 .993 .317 .75 3.3 |
|
NH4 .158 .993 .317 .25 3.3 |
|
|
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|
| |
|
Abernathyite |
|
Ross M, Evans H T |
|
American Mineralogist 49 (1964) 1578-1602 |
|
Studies of the torbernite minerals (I): The crystal structure of abernathyite |
|
and the structurally related compounds NH4(UO2AsO4).3H2O and K(H3O)(UO2AsO4)2.6H2O |
|
Sample: Abernathyite - K(H3O) |
|
_database_code_amcsd 0000132 |
|
7.171 7.171 18.048 90 90 90 *P4/ncc |
|
.25 -.25 0 |
|
atom x y z occ Biso |
|
As .75 .25 0 1.59 |
|
U .25 .25 .0520 2.27 |
|
Oa .25 .25 .150 3.6 |
|
Ob .25 .25 .958 2.9 |
|
Oc .696 .071 .448 |
|
OHd .150 .993 .315 .75 4.1 |
|
OH3 .150 .993 .315 .125 4.1 |
|
K .150 .993 .315 .125 4.1 |
|
|
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|
| |
|
Metatorbernite |
|
Ross M, Evans H T, Appleman D E |
|
American Mineralogist 49 (1964) 1603-1621 |
|
Studies of the torbernite minerals (II): The crystal structure of |
|
meta-torbernite |
|
_database_code_amcsd 0000133 |
|
6.969 6.969 17.306 90 90 90 P4/n |
|
atom x y z Biso |
|
P1 .25 .75 0 .1 |
|
P2 .25 .75 .5 .1 |
|
Cu .25 .25 .8099 1.1 |
|
U1 .25 .25 .0510 .76 |
|
U2 .25 .25 .5524 .63 |
|
O1 .25 .25 .1564 1.6 |
|
O2 .25 .25 .6563 1.2 |
|
O3 .25 .25 .9488 .7 |
|
O4 .25 .25 .4403 1.5 |
|
O5 .7834 .0802 .4466 1.6 |
|
O6 .7038 .0818 .9486 .4 |
|
Wat7 .3476 .9814 .3105 2.7 |
|
Wat8 .2225 .9768 .8095 2.6 |
|
|
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|
| |
|
Margaritasite |
|
Appleman D E, Evans H T |
|
American Mineralogist 50 (1965) 825-842 |
|
The crystal structures of synthetic anhydrous carnotite, K2(UO2)2V2O8, and |
|
its cesium analogue, Cs2(UO2)2V2O8 |
|
_database_code_amcsd 0000135 |
|
10.51 8.45 7.32 90 106.08 90 P2_1/a |
|
atom x y z Biso |
|
Cs .6358 .7681 .4576 1.46 |
|
U .6813 .4795 .9873 .20 |
|
V .9440 .6495 .8959 .02 |
|
O1 .6238 .4382 .7415 1.28 |
|
O2 .7406 .5226 .2330 .91 |
|
O3 .5098 .6525 .9667 .22 |
|
O4 .9347 .6342 .6603 1.42 |
|
O5 .8953 .4424 .9820 .63 |
|
O6 .7786 .7077 .9418 .75 |
|
|
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|
| |
|
Cavansite |
|
Evans H T |
|
American Mineralogist 58 (1973) 412-424 |
|
The crystal structures of cavansite and pentagonite |
|
_database_code_amcsd 0000316 |
|
9.792 13.644 9.629 90 90 90 Pcmn |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ca .0829 .25 .3810 .0037 .0025 .0035 0 .0005 0 |
|
V .4033 .25 .5271 .0042 .0022 .0039 0 -.0002 0 |
|
Si1 .0954 .0336 .1839 .0024 .0022 .0023 -.0002 -.0010 .0002 |
|
Si2 .3165 .0431 .3925 .0024 .0018 .0026 .0003 -.0005 -.0003 |
|
O1 .0846 .1509 .1765 .0056 .0012 .0021 .0002 .0003 -.0009 |
|
O2 .2945 .1591 .4124 .0067 .0025 .0035 -.0002 -.0017 -.0009 |
|
O3 .4477 .0203 .2962 .0032 .0028 .0011 -.0008 .0006 .0000 |
|
O4 .1671 -.0118 .0423 .0041 .0017 .0018 -.0009 .0005 -.0009 |
|
O5 .1847 -.0062 .3176 .0053 .0033 .0020 -.0014 .0020 .0006 |
|
O6 .5515 .25 .4570 .0037 .0045 .0101 0 .0001 0 |
|
Wat7 .9471 .1186 .4700 .0118 .0045 .0113 -.0040 .0028 .0001 |
|
Wat8 .3709 .25 .1387 .0218 .0068 .0009 0 .0112 0 |
|
Wat9 .8092 .25 .2806 .0137 .0116 .0303 0 .0117 0 |
|
|
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|
| |
|
Pentagonite |
|
Evans H T |
|
American Mineralogist 58 (1973) 412-424 |
|
The crystal structures of cavansite and pentagonite |
|
_database_code_amcsd 0000317 |
|
10.386 14.046 8.975 90 90 90 Ccm2_1 |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Si1 .1272 .2062 .0871 .0037 .0015 .0017 -.0001 -.0002 .0000 |
|
Si2 .1232 .2074 .4265 .0014 .0009 .0038 -.0005 -.0009 .0002 |
|
Ca .2403 0 .2674 .0038 .0019 .0033 0 .0008 0 |
|
V -.0224 0 .0553 .0035 .0016 .0043 0 -.0011 0 |
|
O1 .1231 .0927 .0842 .0041 .0009 .0059 -.0001 .0021 .0007 |
|
O2 .1201 .0934 .4358 .0034 .0013 .0030 .0007 .0006 -.0006 |
|
O3 .2532 .2468 .0115 .0026 .0022 .0081 -.0015 .0003 .0004 |
|
O4 .0036 .2540 .0075 .0031 .0013 .0083 -.0002 -.0025 .0009 |
|
O5 .1229 .2455 .2573 .0052 .0025 .0018 .0004 .0006 .0016 |
|
O6 -.0887 0 .2136 .0059 .0046 .0049 0 .0008 0 |
|
Wat7 .3968 .1188 .2425 .0121 .0048 .0099 -.0022 -.0057 .0035 |
|
Wat8 .6250 0 -.0035 .0130 .0069 .0112 0 -.0079 0 |
|
Wat9 .353 0 -.096 .0098 .0133 .0094 0 .0124 0 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Covellite |
|
Evans H T, Konnert J A |
|
American Mineralogist 61 (1976) 996-1000 |
|
Crystal structure refinement of covellite |
|
_database_code_amcsd 0000534 |
|
3.7938 3.7938 16.341 90 90 120 P6_3/mmc |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Cu1 2/3 1/3 1/4 .0289 .0289 .0414 .01445 0 0 |
|
Cu2 1/3 2/3 .10733 .0142 .0142 .0135 .0071 0 0 |
|
S1 1/3 2/3 1/4 .0255 .0255 .0100 .01275 0 0 |
|
S2 0 0 .06337 .0117 .0117 .0069 .00585 0 0 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Shattuckite |
|
Evans H T, Mrose M E |
|
American Mineralogist 62 (1977) 491-502 |
|
The crystal chemistry of the hydrous copper silicates, shattuckite and |
|
plancheite |
|
Note: sample is from Ajo, Arizona |
|
_database_code_amcsd 0000578 |
|
9.885 19.832 5.3825 90 90 90 Pcab |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Cu1 .5 0 .5 .0088 .0079 .0093 -.0032 -.0030 .0042 |
|
Cu2 .33090 .02547 .03970 .0095 .0080 .0073 -.0025 -.0014 .0020 |
|
Cu3 .25205 .28125 .46765 .0108 .0046 .0066 .0001 -.0025 -.0004 |
|
Si1 .54485 .13502 .2173 .0062 .0039 .0052 -.0004 .0014 .0006 |
|
Si2 .39742 .15706 .7265 .0064 .0034 .0053 .0001 -.0002 .0003 |
|
O1 .5054 .0554 .1996 .0105 .0051 .0067 -.0038 -.0029 .0031 |
|
O2 .3426 .0805 .7439 .0157 .0032 .0119 -.0029 -.0022 .0024 |
|
O3 .7076 .1512 .2203 .0051 .0057 .0083 -.0024 .0005 .0018 |
|
O4 .4913 .1735 .9708 .0101 .0073 .0061 -.0014 -.0007 -.0010 |
|
O5 .4907 .1670 .4777 .0136 .0071 .0069 .0007 .0029 -.0037 |
|
O6 .2836 .2163 .7193 .0109 .0051 .0043 .0032 -.0023 -.0023 |
|
Oh7 .6779 .0243 .6426 .0091 .0059 .0069 -.0021 .0016 -.0002 |
|
H .71 .435 .63 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Plancheite |
|
Evans H T, Mrose M E |
|
American Mineralogist 62 (1977) 491-502 |
|
The crystal chemistry of the hydrous copper silicates, shattuckite and |
|
plancheite |
|
Note: sample is from Rioja, Argentina |
|
_database_code_amcsd 0000579 |
|
19.043 20.129 5.269 90 90 90 Pcnb |
|
atom x y z Biso |
|
Cu1 .4592 .0100 .269 .14 |
|
Cu2 .3746 .0329 .791 .14 |
|
Cu3 .2925 .0563 .317 .14 |
|
Cu4 .2518 .3085 .713 .19 |
|
Si1 .6408 .1071 .941 .12 |
|
Si2 .5635 .1239 .422 .12 |
|
Si3 .4073 .1637 .505 .12 |
|
Si4 .3323 .1873 .997 .12 |
|
O1 .629 .028 .942 .14 |
|
O2 .545 .047 .496 .11 |
|
O3 .382 .087 .504 .13 |
|
O4 .302 .112 .955 .12 |
|
O5 .724 .126 .940 .17 |
|
O6 .599 .144 .173 .10 |
|
O7 .620 .140 .665 .08 |
|
O8 .493 .165 .485 .10 |
|
O9 .386 .195 .769 .08 |
|
O10 .373 .204 .268 .14 |
|
O11 .272 .246 .985 .11 |
|
OH12 .462 .062 .981 .15 |
|
OH13 .287 .005 .581 .16 |
|
Wat14 .5 .25 .950 .20 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Sherwoodite |
|
Evans H T, Konnert J A |
|
American Mineralogist 63 (1978) 863-868 |
|
The crystal chemistry of sherwoodite, a calcium 14-vanadoaluminate heteropoly |
|
complex |
|
_database_code_amcsd 0000685 |
|
28.06 28.06 13.56 90 90 90 *I4_1/amd |
|
0 -.25 .125 |
|
atom x y z Biso |
|
Ca .1318 -.1182 .125 .17 |
|
Al 0 0 0 .23 |
|
V1 0 .06980 .2758 .23 |
|
V2 .0570 -.0149 .1940 .16 |
|
V3 .0563 .08520 .0841 .14 |
|
V4 0 -.1015 .1131 .16 |
|
V5 .1159 0 0 .13 |
|
O1 0 .096 .380 .22 |
|
O2 .049 .017 .298 .19 |
|
O3 .050 .099 .192 .21 |
|
O4 0 -.059 .207 .18 |
|
O5 0 .031 .122 .12 |
|
O6 0 .111 .021 .06 |
|
O7 .097 -.053 .221 .18 |
|
O8 .096 .029 .120 .19 |
|
O9 .097 .120 .049 .19 |
|
O10 .049 -.131 .148 .18 |
|
O11 .049 -.042 .044 .05 |
|
O12 .151 -.041 .057 .18 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Erdite |
|
Konnert J A, Evans H T |
|
American Mineralogist 65 (1980) 516-521 |
|
The crystal structure of erdite, NaFeS2*2H2O |
|
_database_code_amcsd 0000785 |
|
10.693 9.115 5.507 90 92.17 90 C2/c |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Na 0 .387 .25 0.042 0.036 0.017 0 0.007 0 |
|
Fe 0 -.001 .25 0.021 0.011 0.007 0 0.002 0 |
|
S .118 .864 .008 0.019 0.022 0.010 0.009 -.007 -.001 |
|
OH .130 .584 .414 0.065 0.027 0.004 -.012 0.001 0.005 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Bartonite |
|
Evans H T, Clark J R |
|
American Mineralogist 66 (1981) 376-384 |
|
The crystal structure of bartonite, a potassium iron sulfide, and its |
|
relationship to pentlandite and djerfisherite |
|
_database_code_amcsd 0000824 |
|
10.424 10.424 20.626 90 90 90 I4/mmm |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K1 .2996 0 0 .920 0.0034 0.0037 0.0035 0 0 0 |
|
K2 0 0 .1539 0.0030 0.0030 0.0029 0 0 0 |
|
Fe1 .1299 .3687 .1841 .841 0.0016 0.0018 0.0018 -.0001 0.0001 -.0002 |
|
Fe2 .3688 .3688 .0659 .864 0.0018 0.0018 0.0015 0.0001 0.0001 0.0001 |
|
S1 .2307 .2307 .1159 0.0022 0.0022 0.0015 0.0003 0.0003 0.0003 |
|
S2 0 .2495 .2510 0.0026 0.0010 0.0021 0 0 0 |
|
S3 .2506 .5 0 0.0018 0.0023 0.0014 0 0 0 |
|
S4 0 .5 .1237 0.0019 0.0023 0.0015 0 0 0 |
|
S5 0 0 .3726 0.0022 0.0022 0.0021 0 0 0 |
|
S6 0 0 0 .925 0.0031 0.0031 0.0038 0 0 0 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Melanovanadite |
|
Konnert J A, Evans H T |
|
American Mineralogist 72 (1987) 637-644 |
|
Crystal structure and crystal chemistry of melanovanadite, a natural vanadium |
|
bronze |
|
Locality: Minas Ragra, Cerro de Pasco, Peru |
|
_database_code_amcsd 0001095 |
|
6.360 18.090 6.276 110.18 101.62 82.86 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) |
|
Ca1 .2220 .2423 .3166 .90 .131 .021 .015 .016 -.001 .006 .003 |
|
Ca2 .2262 .7409 .3235 .12 .131 |
|
V1A .6707 .0468 .6985 .110 .011 .020 .006 .000 .006 .006 |
|
V2A .2174 .0205 .8558 .090 .006 .011 .007 -.001 .001 .002 |
|
O1A .0388 .0002 .2811 .15 .022 .031 .007 .007 .012 .006 |
|
O2A .2176 .1097 .0444 .17 .026 .019 .040 -.004 .004 .017 |
|
O3A .6761 .1392 .7218 .14 .031 .005 .026 .002 .004 .011 |
|
O4A .6851 .0486 .0117 .13 .015 .016 .018 -.005 -.004 -.004 |
|
O5A .3742 .0149 .6353 .12 .010 .026 .005 .003 .004 .002 |
|
V1B .6726 .5453 .6957 .095 .010 .011 .006 .000 .001 .004 |
|
V2B .2185 .5211 .8571 .114 .016 .021 .003 .007 .006 .002 |
|
O1B .0387 .5031 .2858 .12 .008 .025 .008 -.001 -.002 .007 |
|
O2B .2050 .6090 .0453 .14 .023 .032 .006 .006 .010 -.005 |
|
O3B .6856 .6332 .7067 .18 .032 .041 .023 -.013 .002 .009 |
|
O4B .6817 .5490 .0111 .13 .021 .024 .005 .010 .010 .006 |
|
O5B .3713 .5186 .6362 .12 .011 .029 .008 -.006 .001 .009 |
|
Wat6 .0205 .7508 .0109 .19 .045 .021 .047 .004 .008 .015 |
|
Wat7 .0833 .1674 .4962 .19 .054 .034 .016 .012 .018 .006 |
|
Wat8 .5852 .2089 .2561 .21 .032 .035 .065 -.006 .026 -.017 |
|
Wat9 .0759 .6709 .5171 .21 .057 .017 .062 -.005 .030 .011 |
|
Wat10 .5980 .7111 .2908 .21 .059 .046 .026 .002 -.002 -.006 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Fuenzalidaite |
|
Konnert J A, Evans H T, McGee J J, Ericksen G E |
|
American Mineralogist 79 (1994) 1003-1008 |
|
Mineralogical studies of the nitrate deposits of Chile: VII. Two saline |
|
minerals with the composition K6(Na,K)4Na6Mg10(XO4)12(IO3)12.12H2O: |
|
Fuenzalidaite (X=S) and carloruizite (X=Se) |
|
_database_code_amcsd 0001677 |
|
9.4643 9.4643 27.336 90 90 120 P-3c1 |
|
atom x y z occ Uiso |
|
I .3904 .2218 .4551 .0056 |
|
O1 .195 .035 .4557 .0121 |
|
O2 .490 .159 .4057 .0121 |
|
O3 .481 .169 .5085 .0169 |
|
S .3184 .2986 .3245 .0100 |
|
O4 .288 .416 .2992 .0121 |
|
O5 .220 .135 .3044 .0256 |
|
O6 .500 .354 .3212 .0225 |
|
O7 .274 .295 .3805 .0144 |
|
K1 .3789 0 .25 .0225 |
|
Na 0 0 .1238 .72 .0361 |
|
K 0 0 .1238 .28 .0361 |
|
Na1 1/3 2/3 .3336 .0196 |
|
Na2 0 0 .25 .0121 |
|
Mg1 1/3 2/3 .1394 .0144 |
|
Mg2 1/3 2/3 .4478 .0144 |
|
Mg3 0 0 0 .0049 |
|
Wat8 .667 .504 .1020 .0016 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Carlosruizite |
|
Konnert J A, Evans H T, McGee J J, Ericksen G E |
|
American Mineralogist 79 (1994) 1003-1008 |
|
Mineralogical studies of the nitrate deposits of Chile: VII. Two saline |
|
minerals with the composition K6(Na,K)4Na6Mg10(XO4)12(IO3)12.12H2O: |
|
Fuenzalidaite (X=S) and carlosruizite (X=Se) |
|
_database_code_amcsd 0001678 |
|
9.5901 9.5901 27.56 90 90 120 P-3c1 |
|
atom x y z occ Uiso |
|
I .3911 .2199 .4560 .0110 |
|
O1 .201 .039 .4585 .0100 |
|
O2 .489 .168 .4097 .0169 |
|
O3 .482 .174 .5060 .0196 |
|
Se .3188 .2992 .3243 .0121 |
|
O4 .286 .427 .2975 .0196 |
|
O5 .223 .126 .3031 .0121 |
|
O6 .507 .365 .3204 .0196 |
|
O7 .274 .294 .3801 .0196 |
|
K1 .3834 0 .25 .0289 |
|
Na 0 0 .1212 .68 .0225 |
|
K 0 0 .1212 .32 .0225 |
|
Na1 1/3 2/3 .3338 .0225 |
|
Na2 0 0 .25 .0121 |
|
Mg1 1/3 2/3 .1391 .0144 |
|
Mg2 1/3 2/3 .4480 .0144 |
|
Mg3 0 0 0 .0169 |
|
Wat8 .662 .497 .0987 .0196 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Phosphovanadylite |
|
Medrano M D, Evans H T, Wenk H R, Piper D Z |
|
American Mineralogist 83 (1998) 889-895 |
|
Phosphovanadylite: A new vanadium phosphate mineral with a zeolite-type |
|
structure |
|
_database_code_amcsd 0002028 |
|
15.470 15.470 15.470 90 90 90 I-43m |
|
atom x y z occ Uiso |
|
V .4294 .4294 .0828 .87 .017 |
|
Al .4294 .4294 .0828 .13 .017 |
|
P .25 .5 0 .020 |
|
O1 .435 .307 .050 .026 |
|
O2 .420 .420 .184 .029 |
|
O3 .558 -.558 .066 .017 |
|
O4 .257 .257 -.028 .85 .090 |
|
Ba4 .257 .257 -.028 .13 .090 |
|
O5 .340 .340 .340 .92 .102 |
|
Ba5 .340 .340 .340 .08 .102 |
|
O6 .148 .148 .314 .168 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Gonnardite |
|
Evans H T, Konnert J A, Ross M |
|
American Mineralogist 85 (2000) 1808-1815 |
|
The crystal structure of tetranatrolite from Mont Saint-Hilaire, Quebec, and its |
|
chemical and structural relationship to paranatrolite and gonnardite |
|
_database_code_amcsd 0002597 |
|
13.197 13.197 6.630 90 90 90 I-42d |
|
atom x y z occ Uiso |
|
Si1 0 0 0 .57 .0225 |
|
Al1 0 0 0 .43 .0225 |
|
Si2 .0544 .1330 .6214 .57 .0214 |
|
Al2 .0544 .1330 .6214 .43 .0214 |
|
O1 .3944 .25 .125 .022 |
|
O2 .1333 .0627 .4813 .032 |
|
O3 .0506 .0918 .8603 .015 |
|
Na .6914 .25 .125 .85 .032 |
|
Ca .6914 .25 .125 .15 .032 |
|
Wat4 .1334 .25 .125 .047 |
|
Wat5 .872 .260 .182 .18 .033 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Hewettite |
|
Evans H T |
|
The Canadian Mineralogist 27 (1989) 181-188 |
|
The crystal structure of hewettite |
|
Note: sample Weeks number W-220-54 |
|
Locality: Colorado Plateau, USA |
|
_database_code_amcsd 0005224 |
|
12.290 3.590 11.174 90 97.24 90 P2_1/m |
|
atom x y z occ Uiso |
|
V1 .554 .25 -.088 .029 |
|
V2 .055 .25 .120 .040 |
|
V3 .796 .25 .036 .026 |
|
O1 .446 .25 .019 .070 |
|
O2 .940 .25 -.058 .030 |
|
O3 .688 .25 -.118 .000 |
|
O4 .123 .25 .236 .070 |
|
O5 .500 .25 -.211 .050 |
|
O6 .936 .25 .170 .070 |
|
O7 .703 .25 .120 .010 |
|
O8 .170 .25 .020 .020 |
|
Ca .228 .25 .470 .5 .070 |
|
O9 .681 .25 .657 .080 |
|
O10 .147 .25 .646 .150 |
|
O11 .674 .25 .368 .080 |
|
O12 .071 .25 .409 .5 .080 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Fernandinite |
|
Evans H T, Post J E, Ross D R, Nelen J A |
|
The Canadian Mineralogist 32 (1994) 339-351 |
|
The crystal structure and crystal chemistry of fernandinite and corvusite |
|
Minasragu, Peru, with general formula (Ca,Na,K)x(V,Fe,Ti)8O20.4H2O |
|
Locality: Minasragu, Peru |
|
_database_code_amcsd 0005363 |
|
11.680 3.6537 11.023 90 105.00 90 C2/m |
|
atom x y z occ Uiso |
|
V1 .8018 0 .1370 .01 |
|
V2 .0982 0 .1378 .01 |
|
Ca1 .061 0 .506 .46 .02 |
|
Ca2 .568 0 .478 .26 .02 |
|
O1 .946 0 .096 .01 |
|
O2 .849 0 .283 .01 |
|
O3 .629 0 .120 .01 |
|
O4 .274 0 .100 .01 |
|
O5 .110 0 .286 .01 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Bobjonesite |
| |
Schindler M, Hawthorne F C, Huminicki D M C, Haynes P, Grice J D, Evans H T |
|
The Canadian Mineralogist 41 (2003) 83-90 |
|
Bobjonesite, VO(SO4)(H2O)3, a new mineral species from Temple Mountain, |
|
Emery County, Utah, U.S.A. |
|
Locality: Temple Mountain, Emery County, Utah, USA |
|
_database_code_amcsd 0005827 |
|
7.3940 7.4111 12.0597 90 106.55 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) |
|
V .56808 .28298 -.12525 .0148 .0122 .0172 .0153 .0009 .0044 .0047 |
|
S .2291 .3590 -.01264 .0130 .0118 .0120 .0158 .0001 .0047 .0014 |
|
O(1) .4478 .4063 -.2260 .0316 .0245 .0556 .0290 .0137 .0089 .0193 |
|
O(2) .7577 .1028 .0128 .0202 .0165 .0196 .0229 .0023 .0030 -.0043 |
|
O(3) .4416 .0398 -.1696 .026 .0259 .0340 .0219 -.0145 .0122 -.0116 |
|
O(4) .7614 .2042 -.2081 .024 .0167 .0331 .0211 -.0019 .0087 -.0019 |
|
O(5) .7627 .4573 -.0356 .026 .0163 .0170 .0427 -.0022 .0121 -.0075 |
|
O(6) .4230 .3012 -.0086 .018 .0124 .0220 .0210 .0038 .0066 -.0008 |
|
O(7) .1576 .2350 .0596 .021 .0198 .0188 .0220 -.0002 .0102 .0024 |
|
O(8) .1073 .3574 -.1310 .025 .0174 .0378 .0167 -.0015 .0045 .0063 |
|
H(1) .880 .152 .057 .0200 |
|
H(2) .803 -.012 -.009 .0200 |
|
H(3) .354 -.001 -.127 .0200 |
|
H(4) .915 .512 .253 .0200 |
|
H(5) .726 .226 -.2917 .0200 |
|
H(6) .889 .251 -.172 .0200 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Nevadaite |
| |
Cooper M A, Hawthorne F C, Roberts A C, Foord E E, Erd R C, Evans H T, Jensen M C |
|
The Canadian Mineralogist 42 (2004) 741-752 |
|
Nevadaite, (Cu,_,Al,V)6[Al8(PO4)8F8](OH)2(H2O)22, a new phosphate mineral |
|
from the Gold Quarry Mine, Carlin, Eureka County, Nevada: |
|
Description and crystal structure |
|
Locality: Gold Quarry Mine, Carlin, Eureka County, Nevada, USA |
|
_database_code_amcsd 0005936 |
|
12.123 18.999 4.9613 90 90 90 P2_1mn |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
CuM1 .5774 .5 .2888 .5 .033 .055 .011 .032 0 .015 0 |
|
CuM2 .5934 .5 .7206 .3 .0288 .057 .004 .025 0 -.027 0 |
|
VM2 .5934 .5 .7206 .2 .0288 .057 .004 .025 0 -.027 0 |
|
CuM3 .4258 0 .7098 .2 .0082 .015 .005 .004 0 .006 0 |
|
VM3 .4258 0 .7098 .3 .0082 .015 .005 .004 0 .006 0 |
|
AlM3 .4258 0 .7098 .5 .0082 .015 .005 .004 0 .006 0 |
|
Al1 .5 .2502 -.0017 .0074 .0086 .0074 .0063 .0003 .0000 .0000 |
|
Al2 .749 .19131 .2619 .0097 .0069 .0139 .0084 .001 -.001 .0034 |
|
P1 .5192 .1467 .4955 .0088 .0099 .0084 .0082 -.0004 .0012 .0011 |
|
P2 .4817 .3545 .4960 .0088 .0099 .0084 .0082 -.0004 .0012 .0011 |
|
F1 .6464 .2346 .051 .0133 .0106 .0166 .013 -.004 .003 .0037 |
|
F2 .8512 .2360 .059 .0133 .0106 .0166 .013 -.004 .003 .0037 |
|
O1 .6451 .1448 .450 .0163 .0086 .020 .021 -.0005 .0030 .009 |
|
O2 .4753 .0709 .456 .0163 .028 .0102 .010 -.0065 -.001 -.0002 |
|
O3 .4591 .1961 .291 .0093 .0109 .0101 .007 .0031 .0012 .0043 |
|
O4 .4910 .1700 .788 .0116 .0157 .0101 .0089 -.0026 .0028 -.0021 |
|
O5 .3570 .3497 .533 .0163 .0086 .020 .021 -.0005 .0030 .009 |
|
O6 .5217 .4295 .524 .0163 .028 .0102 .010 -.0065 -.001 -.0002 |
|
O7 .5378 .3062 .697 .0093 .0109 .0101 .007 .0031 .0012 .0043 |
|
O8 .5092 .3322 .212 .0116 .0157 .0101 .0089 -.0026 .0028 -.0021 |
|
Wat9 .7496 .2736 .4979 .0175 .015 .0193 .0181 -.006 .003 -.005 |
|
Wat10 .7582 .1156 -.0122 .0175 .015 .0193 .0181 -.006 .003 -.005 |
|
Wat11 .6449 .4244 .009 .8 .0277 .027 .013 .042 .003 -.001 .000 |
|
OH11 .6449 .4244 .009 .1 .0277 .027 .013 .042 .003 -.001 .000 |
|
F11 .6449 .4244 .009 .1 .0277 .027 .013 .042 .003 -.001 .000 |
|
Wat12 .3690 .0663 .975 .8 .0277 .027 .013 .042 .003 -.001 .000 |
|
OH12 .3690 .0663 .975 .1 .0277 .027 .013 .042 .003 -.001 .000 |
|
F12 .3690 .0663 .975 .1 .0277 .027 .013 .042 .003 -.001 .000 |
|
Wat13 .404 .5 .008 .109 .08 .084 .16 0 .001 0 |
|
Wat14 .7225 .5 .528 .8 .039 .044 .025 .049 0 -.005 0 |
|
OH14 .7225 .5 .528 .1 .039 .044 .025 .049 0 -.005 0 |
|
F14 .7225 .5 .528 .1 .039 .044 .025 .049 0 -.005 0 |
|
Wat15 .597 0 .998 .62 .022 |
|
Wat16 .546 0 .998 .38 .022 |
|
Wat17 .705 0 .635 .26 .075 |
|
Wat18 .768 0 .460 .56 .075 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Duttonite |
|
Evans H T, Mrose M E |
 |
Acta Crystallographica 11 (1958) 56-58 |
|
The crystal structures of three new vanadium oxide minerals |
|
Locality: Peanut mine, Montrose County, Colorado, USA |
|
Note: x(OH2) corrected |
|
_database_code_amcsd 0009204 |
|
8.80 3.95 5.96 90 90.67 90 *I2/c |
|
0 .25 0 |
|
atom x y z |
|
V 0 .336 .25 |
|
O1 0 .754 .25 |
|
OH2 .150 .25 .5 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Haggite |
|
Evans H T, Mrose M E |
|
Acta Crystallographica 11 (1958) 56-58 |
|
The crystal structures of three new vanadium oxide minerals |
|
Locality: Carlile, Wyoming, USA |
|
_database_code_amcsd 0009205 |
|
12.17 2.99 4.83 90 98.25 90 C2/m |
|
atom x y z |
|
V .138 0 .396 |
|
O1 0 0 .5 |
|
O2 .107 .5 .146 |
|
O3 .307 0 .324 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Doloresite |
|
Evans H T, Mrose M E |
|
Acta Crystallographica 11 (1958) 56-58 |
|
The crystal structures of three new vanadium oxide minerals |
|
Locality: Carlile, Wyoming, USA |
|
_database_code_amcsd 0009206 |
|
19.64 2.99 4.83 90 103.92 90 C2/m |
|
atom x y z |
|
V1 0 0 .5 |
|
V2 .172 0 .369 |
|
O1 .014 0 .738 |
|
O2 .083 0 .468 |
|
O3 .171 0 .064 |
|
O4 .208 0 .660 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Tachyhydrite |
|
Clark J R, Evans H T, Erd R C |
|
Acta Crystallographica B36 (1980) 2736-2739 |
|
Tachyhydrite, dimagnesium calcium chloride 12-hydrate |
|
Locality: synthetic |
|
_database_code_amcsd 0009720 |
|
10.136 10.136 17.318 90 90 120 R-3 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca 0 0 0 .0310 .0310 .0338 .0155 0 0 |
|
Cl .1780 -.0688 .0926 .0476 .0465 .0423 .0299 -.0044 -.0036 |
|
Mg 0 0 .3243 .0302 .0302 .0334 .0151 0 0 |
|
O1 .1882 .0700 .2548 .038 .052 .042 .016 .006 .000 |
|
O2 -.1897 -.0628 .3920 .045 .050 .060 .023 .016 .004 |
|
H1 .18 .04 .206 |
|
H2 .27 .18 .263 |
|
H3 -.20 .02 .416 |
|
H4 -.23 -.16 .417 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Pigeonite |
|
Morimoto N, Appleman D E, Evans H T |
|
Zeitschrift fur Kristallographie 114 (1960) 120-147 |
|
The crystal structures of clinoenstatite and pigeonite |
|
Locality: Asio Mine, Japan |
|
_database_code_amcsd 0010588 |
|
9.731 8.953 5.256 90 71.45 90 P2_1/c |
|
atom x y z occ Biso |
|
Ca1 .246 .981 .231 .2 .98 |
|
Fe1 .246 .981 .231 .8 .98 |
|
Fe2 .251 .344 .236 .32 .855 |
|
Mg2 .251 .344 .236 .68 .855 |
|
Si1 .453 .661 .274 .62 |
|
Si2 .049 .662 .252 .765 |
|
O1A .372 .168 .315 1.17 |
|
O1B .127 .166 .161 .595 |
|
O2A .378 .506 .323 .885 |
|
O2B .125 .508 .147 1.085 |
|
O3A .395 .773 .070 .51 |
|
O3B .108 .782 -.006 .47 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Clinoenstatite |
|
Morimoto N, Appleman D E, Evans H T |
|
Zeitschrift fur Kristallographie 114 (1960) 120-147 |
|
The crystal structures of clinoenstatite and pigeonite |
|
Locality: Bishopville, South Carolina meteorite, heat-treated |
|
_database_code_amcsd 0010589 |
|
9.620 8.825 5.188 90 71.67 90 P2_1/c |
|
atom x y z Biso |
|
Mg2 .247 .347 .220 .225 |
|
Mg1 .242 .986 .193 .25 |
|
Si1 .457 .658 .294 .33 |
|
Si2 .053 .661 .264 .475 |
|
O1A .362 .156 .320 .61 |
|
O1B .124 .159 .112 .855 |
|
O2A .377 .498 .298 1.61 |
|
O2B .137 .518 .103 .665 |
|
O3A .395 .775 .101 .70 |
|
O3B .105 .813 .051 .40 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Chalcocite |
|
Evans H T |
|
Zeitschrift fur Kristallographie 150 (1979) 299-320 |
|
The crystal structures of low chalocite and djurleite |
|
Locality: Bristol Connecticut, USA |
|
_database_code_amcsd 0010817 |
|
15.246 11.884 13.494 90 116.35 90 P2_1/c |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Cu1 .8645 .2496 .2927 .025 .018 .030 -.003 .018 -.002 |
|
Cu2 .6171 .0740 .6765 .030 .018 .035 .008 .024 .006 |
|
Cu3 .6102 .0916 .1677 .020 .024 .033 -.001 .017 .000 |
|
Cu4 .3628 .2400 .0731 .024 .018 .025 -.001 .015 -.002 |
|
Cu5 .1276 .0849 .9451 .036 .020 .035 .006 .013 .000 |
|
Cu6 .1065 .0783 .4429 .021 .024 .027 .002 .012 .000 |
|
Cu7 .9345 .1233 .9923 .034 .041 .022 -.007 .020 -.005 |
|
Cu8 .9414 .1412 .5099 .031 .025 .027 -.005 .014 -.003 |
|
Cu9 .7615 .2504 .4109 .045 .024 .030 -.001 .029 .001 |
|
Cu10 .4429 .1477 .9348 .023 .026 .037 -.001 .020 .003 |
|
Cu11 .4254 .1229 .4388 .032 .022 .020 -.006 .015 -.001 |
|
Cu12 .2578 .2357 .8507 .041 .028 .022 .008 .021 -.004 |
|
Cu13 .8209 .0358 .6830 .032 .024 .019 .002 .014 .001 |
|
Cu14 .7830 .0624 .1671 .039 .043 .023 -.009 .019 .004 |
|
Cu15 .0261 .2045 .7722 .103 .059 .106 .048 .101 .060 |
|
Cu16 .5026 .0795 .2834 .037 .028 .020 -.003 .019 .001 |
|
Cu17 .3022 .0434 .6230 .043 .051 .023 -.021 .024 -.011 |
|
Cu18 .3050 .0431 .1339 .034 .027 .021 .007 .020 -.003 |
|
Cu19 .5243 .2082 .7543 .092 .048 .021 .027 .011 -.011 |
|
Cu20 .9992 .0856 .2166 .054 .026 .029 .002 .030 .002 |
|
Cu21 .6227 .1032 .9531 .025 .015 .034 .008 .015 .001 |
|
Cu22 .7037 .1944 .5659 .038 .036 .025 .019 .024 .009 |
|
Cu23 .2028 .2069 .1398 .040 .038 .020 .019 .022 .007 |
|
Cu24 .1308 .0966 .6791 .030 .017 .039 .004 .017 .005 |
|
S1 .9575 .0829 .8422 .018 .022 .017 .008 .010 -.002 |
|
S2 .9413 .0768 .3462 .016 .010 .017 .002 .008 .001 |
|
S3 .7940 .0824 .5068 .016 .011 .009 -.001 .009 -.001 |
|
S4 .7917 .0817 .0060 .013 .015 .026 -.004 .015 .001 |
|
S5 .4491 .0883 .6133 .020 .011 .020 -.003 .014 .003 |
|
S6 .4444 .0726 .0957 .015 .022 .010 -.001 .006 .002 |
|
S7 .2999 .0781 .7868 .018 .013 .023 .000 .017 -.001 |
|
S8 .2843 .0832 .2869 .015 .017 .009 .005 .009 -.003 |
|
S9 .6960 .2481 .7220 .014 .021 .011 .005 .004 .001 |
|
S10 .5479 .2237 .4167 .010 .013 .014 .004 .004 .001 |
|
S11 .1970 .2384 .4766 .014 .014 .014 -.001 .009 -.005 |
|
S12 .0483 .2324 .1332 .014 .016 .017 .000 .007 .002 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Djurleite |
|
Evans H T |
|
Zeitschrift fur Kristallographie 150 (1979) 299-320 |
|
The crystal structures of low chalocite and djurleite |
|
Locality: Ozark Lead Co. mine at Sweetwater, Missouri, USA |
|
_database_code_amcsd 0010818 |
|
26.897 15.745 13.565 90 90.13 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) |
|
Cu1 .0589 .4992 .0020 .036 .022 .020 -.001 .010 -.004 |
|
Cu2 .0630 .7552 .006 .030 .024 .024 -.003 .010 .006 |
|
Cu3 .0659 .1286 .2466 .031 .015 .021 .000 .012 -.002 |
|
Cu4 .0659 .9899 .4944 .055 .020 .016 .007 .006 -.002 |
|
Cu5 .0558 .2425 .4999 .027 .018 .024 .002 .009 .006 |
|
Cu6 .0643 .5085 .4952 .035 .021 .028 -.005 .002 .004 |
|
Cu7 .0674 .1126 .7593 .028 .023 .013 -.003 .008 -.001 |
|
Cu8 .0616 .3598 .7433 .052 .021 .020 -.005 .001 -.005 |
|
Cu9 .0683 .6155 .7542 .027 .015 .013 -.001 .008 .001 |
|
Cu10 .1884 .9995 .9979 .025 .020 .023 .002 .005 .003 |
|
Cu11 .1931 .2535 .9936 .031 .023 .019 -.001 -.002 .000 |
|
Cu12 .1806 .7459 .9892 .070 .059 .053 -.005 .019 .004 |
|
Cu13 .1887 .1255 .2389 .041 .026 .022 .002 -.002 .002 |
|
Cu14 .1946 .6214 .2495 .033 .034 .022 .002 -.006 .002 |
|
Cu15 .1901 .8706 .2423 .021 .016 .014 -.003 .009 .000 |
|
Cu16 .1811 .9987 .4834 .038 .024 .027 .000 .013 .001 |
|
Cu17 .1943 .7503 .4952 .024 .022 .013 -.002 .003 .013 |
|
Cu18 .1811 .1336 .7549 .036 .019 .022 -.001 .002 -.002 |
|
Cu19 .1888 .3852 .7415 .046 .018 .012 .000 .001 .000 |
|
Cu20 .1928 .8775 .7389 .045 .017 .034 .000 .000 -.001 |
|
Cu21 .0163 .1531 .0663 .019 .026 .018 -.002 .012 -.004 |
|
Cu22 .0171 .3905 .1371 .023 .017 .028 -.004 .016 -.004 |
|
Cu23 .0183 .6344 .1237 .025 .020 .047 -.003 .007 .007 |
|
Cu24 .0149 .8761 .1242 .012 .019 .029 -.003 .003 -.002 |
|
Cu25 .0144 .2896 .3064 .022 .019 .017 -.002 .002 .003 |
|
Cu26 .0159 .4645 .3191 .023 .027 .027 .002 .003 .005 |
|
Cu27 .0174 .7391 .3335 .013 .063 .045 .001 .001 .011 |
|
Cu28 .0142 .1045 .5931 .022 .029 .047 .007 .001 .001 |
|
Cu29 .0105 .3883 .5620 .028 .034 .073 .009 .040 .023 |
|
Cu30 .0171 .8599 .6332 .017 .019 .047 .003 .011 .011 |
|
Cu31 .0148 .9668 .8134 .013 .020 .023 .002 .012 .005 |
|
Cu32 .1082 .0824 .0717 .017 .021 .016 .002 .012 -.002 |
|
Cu33 .1073 .3426 .0630 .020 .028 .020 -.003 .005 .002 |
|
Cu34 .1035 .9110 .0507 .018 .020 .017 .001 .010 -.006 |
|
Cu35 .1077 .5346 .3123 .014 .054 .019 .001 .003 -.010 |
|
Cu36 .1125 .7667 .3268 .014 .056 .128 .005 .009 -.026 |
|
Cu37 .1087 .9573 .3159 .019 .042 .018 -.001 .013 .005 |
|
Cu38 .1077 .6589 .5611 .025 .014 .018 .000 .002 -.003 |
|
Cu39 .1076 .8330 .5580 .023 .036 .039 .003 .013 .018 |
|
Cu40 .1046 .0074 .8874 .031 .019 .019 .001 .004 .001 |
|
Cu41 .1074 .2501 .8772 .017 .017 .040 .000 .013 -.001 |
|
Cu42 .1129 .4717 .8340 .030 .046 .053 -.014 .012 -.008 |
|
Cu43 .1095 .7748 .8162 .022 .029 .023 .000 .004 -.009 |
|
Cu44 .1390 .4994 .1278 .015 .030 .027 .007 .014 -.005 |
|
Cu45 .1374 .7322 .1483 .037 .105 .081 .037 .003 -.032 |
|
Cu46 .1390 .1700 .4220 .030 .040 .045 -.014 .022 .003 |
|
Cu47 .1398 .3665 .4211 .016 .184 .035 .000 .009 -.005 |
|
Cu48 .1407 .0056 .6581 .015 .028 .034 -.003 .005 -.002 |
|
Cu49 .1455 .2551 .6101 .027 .025 .037 -.004 .007 .007 |
|
Cu50 .1445 .5031 .6163 .020 .020 .053 .002 .004 .005 |
|
Cu51 .1428 .5976 .9303 .026 .108 .074 -.003 .013 -.059 |
|
Cu52 .2241 .2884 .1861 .023 .033 .024 .005 .008 .007 |
|
Cu53 .2298 .4622 .1987 .022 .028 .025 -.001 .005 -.004 |
|
Cu54 .2344 .1381 .4237 .028 .086 .067 .011 .016 .010 |
|
Cu55 .2342 .3910 .4078 .019 .064 .106 .009 .009 .035 |
|
Cu56 .2311 .5884 .4366 .015 .036 .029 -.001 .005 -.003 |
|
Cu57 .2340 .5409 .6925 .025 .029 .025 .000 .000 .001 |
|
Cu58 .2322 .7143 .6814 .017 .035 .021 -.002 .000 -.002 |
|
Cu59 .2306 .4086 .9366 .024 .043 .043 .000 .015 .016 |
|
Cu60 .2367 .6345 .8759 .027 .037 .063 .004 .005 -.015 |
|
Cu61 .2356 .8534 .9122 .029 .109 .067 -.019 -.013 -.037 |
|
Cu62 .1277 .2615 .2446 .032 .036 .052 .001 -.016 .009 |
|
S1 .0646 .9911 .1743 .014 .013 .017 .009 .009 -.003 |
|
S2 .0570 .2567 .1634 .016 .008 .016 -.002 .013 .005 |
|
S3 .0587 .5127 .1746 .022 .017 .010 -.008 -.002 -.003 |
|
S4 .0563 .7556 .1747 .015 .020 .010 .004 .004 -.003 |
|
S5 .0621 .1167 .4139 .019 .023 .012 -.006 .000 .000 |
|
S6 .0569 .3729 .4192 .016 .006 .011 -.005 -.001 -.001 |
|
S7 .0698 .6326 .4114 .022 .008 .021 .005 -.004 -.005 |
|
S8 .0669 .8637 .4146 .021 .005 .020 -.004 .000 -.005 |
|
S9 .0569 .9932 .6626 .027 .012 .015 -.008 .018 .001 |
|
S10 .0661 .2356 .6666 .009 .020 .014 -.003 .007 -.002 |
|
S11 .0645 .4904 .6666 .011 .004 .033 .000 .006 .002 |
|
S12 .0683 .7477 .6718 .009 .011 .022 .001 .013 .001 |
|
S13 .0650 .1314 .9276 .011 .010 .016 .003 .006 -.003 |
|
S14 .0634 .3746 .9149 .012 .018 .015 .003 -.002 -.011 |
|
S15 .0617 .6297 .9236 .026 .046 .007 .006 -.004 .001 |
|
S16 .0660 .8753 .9031 .005 .017 .018 -.004 -.005 .015 |
|
S17 .1886 .1291 .0741 .016 .023 .013 .004 .005 -.005 |
|
S18 .1872 .3834 .0790 .014 .009 .019 .002 -.002 -.002 |
|
S19 .1834 .6233 .0801 .017 .005 .027 -.007 .011 .003 |
|
S20 .1838 .8700 .0748 .024 .003 .024 .001 .013 .005 |
|
S21 .1889 .0044 .3207 .021 .014 .016 -.008 .001 -.003 |
|
S22 .1928 .2570 .3414 .017 .009 .020 .003 .008 -.001 |
|
S23 .1871 .4951 .3374 .022 .020 .011 .020 .009 .006 |
|
S24 .1950 .7473 .329 .018 .013 .016 -.001 .000 -.001 |
|
S25 .1827 .1239 .5768 .019 .009 .016 .000 .002 -.001 |
|
S26 .1822 .3780 .5718 .042 .014 .016 -.008 .002 .002 |
|
S27 .1900 .6216 .5800 .004 .021 .014 .006 .004 -.003 |
|
S28 .1875 .8778 .5755 .010 .014 .017 -.005 .008 .008 |
|
S29 .1851 .9989 .8256 .025 .023 .015 -.004 .010 -.002 |
|
S30 .1882 .2603 .8271 .015 .013 .015 -.005 .015 -.003 |
|
S31 .1934 .5080 .8370 .016 .010 .014 -.005 .006 -.004 |
|
S32 .1915 .7528 .8246 .037 .006 .012 .004 .004 .001 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Bannisterite |
|
Heaney P J, Post J E, Evans H T |
| |
Clays and Clay Minerals 40 (1992) 129-144 |
|
The crystal structure of bannisterite |
|
Locality: Broken Hill, Australia |
|
_database_code_amcsd 0012233 |
|
22.286 16.3860 24.575 90 94.355 90 A2/a |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mn1 .06358 .39253 .25829 .553 .0098 .0137 .0191 -.0027 .0026 -.0023 |
|
Fe1 .06358 .39253 .25829 .457 .0098 .0137 .0191 -.0027 .0026 -.0023 |
|
Mg1 .06358 .39253 .25829 .014 .0098 .0137 .0191 -.0027 .0026 -.0023 |
|
Zn1 .06358 .39253 .25829 .007 .0098 .0137 .0191 -.0027 .0026 -.0023 |
|
Mn2 .06277 .19548 .24175 .553 .0077 .0093 .0186 -.0006 .0021 .0004 |
|
Fe2 .06277 .19548 .24175 .457 .0077 .0093 .0186 -.0006 .0021 .0004 |
|
Mg2 .06277 .19548 .24175 .014 .0077 .0093 .0186 -.0006 .0021 .0004 |
|
Zn2 .06277 .19548 .24175 .007 .0077 .0093 .0186 -.0006 .0021 .0004 |
|
Mn3 .18953 .48491 .25869 .553 .0108 .0104 .0221 .0002 .0021 .0008 |
|
Fe3 .18953 .48491 .25869 .457 .0108 .0104 .0221 .0002 .0021 .0008 |
|
Mg3 .18953 .48491 .25869 .014 .0108 .0104 .0221 .0002 .0021 .0008 |
|
Zn3 .18953 .48491 .25869 .007 .0108 .0104 .0221 .0002 .0021 .0008 |
|
Mn4 .18545 .28550 .24081 .553 .0090 .0104 .0216 -.0005 -.0003 -.0001 |
|
Fe4 .18545 .28550 .24081 .457 .0090 .0104 .0216 -.0005 -.0003 -.0001 |
|
Mg4 .18545 .28550 .24081 .014 .0090 .0104 .0216 -.0005 -.0003 -.0001 |
|
Zn4 .18545 .28550 .24081 .007 .0090 .0104 .0216 -.0005 -.0003 -.0001 |
|
Mn5 .18608 .08489 .23210 .553 .0131 .0119 .0237 .0003 .0025 -.0015 |
|
Fe5 .18608 .08489 .23210 .457 .0131 .0119 .0237 .0003 .0025 -.0015 |
|
Mg5 .18608 .08489 .23210 .014 .0131 .0119 .0237 .0003 .0025 -.0015 |
|
Zn5 .18608 .08489 .23210 .007 .0131 .0119 .0237 .0003 .0025 -.0015 |
|
Mn6 .31230 .38450 .24632 .553 .0105 .0110 .0262 .0003 .0033 .0007 |
|
Fe6 .31230 .38450 .24632 .457 .0105 .0110 .0262 .0003 .0033 .0007 |
|
Mg6 .31230 .38450 .24632 .014 .0105 .0110 .0262 .0003 .0033 .0007 |
|
Zn6 .31230 .38450 .24632 .007 .0105 .0110 .0262 .0003 .0033 .0007 |
|
Mn7 .31093 .18718 .23597 .553 .0097 .0103 .0241 .0013 .0033 .0017 |
|
Fe7 .31093 .18718 .23597 .457 .0097 .0103 .0241 .0013 .0033 .0017 |
|
Mg7 .31093 .18718 .23597 .014 .0097 .0103 .0241 .0013 .0033 .0017 |
|
Zn7 .31093 .18718 .23597 .007 .0097 .0103 .0241 .0013 .0033 .0017 |
|
Mn8 .43892 .49370 .26521 .553 .0156 .0165 .0268 .0014 .0019 .0041 |
|
Fe8 .43892 .49370 .26521 .457 .0156 .0165 .0268 .0014 .0019 .0041 |
|
Mg8 .43892 .49370 .26521 .014 .0156 .0165 .0268 .0014 .0019 .0041 |
|
Zn8 .43892 .49370 .26521 .007 .0156 .0165 .0268 .0014 .0019 .0041 |
|
Mn9 .43639 .29220 .24845 .553 .0084 .0089 .0199 .0014 .0010 .0014 |
|
Fe9 .43639 .29220 .24845 .457 .0084 .0089 .0199 .0014 .0010 .0014 |
|
Mg9 .43639 .29220 .24845 .014 .0084 .0089 .0199 .0014 .0010 .0014 |
|
Zn9 .43639 .29220 .24845 .007 .0084 .0089 .0199 .0014 .0010 .0014 |
|
Mn10 .43533 .09264 .23354 .553 .0125 .0112 .0226 .0017 .0039 .0017 |
|
Fe10 .43533 .09264 .23354 .457 .0125 .0112 .0226 .0017 .0039 .0017 |
|
Mg10 .43533 .09264 .23354 .014 .0125 .0112 .0226 .0017 .0039 .0017 |
|
Zn10 .43533 .09264 .23354 .007 .0125 .0112 .0226 .0017 .0039 .0017 |
|
Si1 .12276 .40089 .14051 .0096 .0083 .0096 -.0016 .0030 -.0016 |
|
Si2 .39916 .40131 .14150 .0094 .0085 .0154 .0018 -.0008 -.0010 |
|
Si3 .52154 .31697 .14636 .0074 .0074 .0136 -.0003 .0008 -.0002 |
|
Si4 .52222 .13100 .12898 .0086 .0074 .0155 .0009 .0001 .0002 |
|
Si5 .64427 .04517 .12842 .0072 .0093 .0168 -.0011 .0016 -.0015 |
|
Si6 .63928 .41348 .15170 .0055 .0072 .0139 -.0003 .0003 .0005 |
|
Si7 .76188 .32840 .15216 .0072 .0068 .0143 -.0007 .0008 -.0002 |
|
Si8 .76141 .14342 .14244 .0078 .0069 .0161 -.0009 .0021 -.0013 |
|
Si9 .87505 .04534 .12707 .0066 .0102 .0163 -.0005 .0029 -.0027 |
|
Si10 .88437 .41307 .15211 .0083 .0068 .0135 -.0006 .0012 .0010 |
|
Si11 .00105 .31627 .14439 .0075 .0073 .0151 -.0001 .0020 -.0012 |
|
Si12 .99775 .13038 .12698 .0090 .0099 .0160 -.0025 .0039 -.0027 |
|
Si13 .11169 .10688 .06476 .844 .0119 .0094 .0134 -.0002 .0024 .0005 |
|
Al13 .11169 .10688 .06476 .156 .0119 .0094 .0134 -.0002 .0024 .0005 |
|
Si14 .18347 .27205 .06454 .575 .0126 .0117 .0145 -.0004 .0023 -.0011 |
|
Al14 .18347 .27205 .06454 .425 .0126 .0117 .0145 -.0004 .0023 -.0011 |
|
Si15 .32627 .27292 .06505 .478 .0126 .0116 .0147 .0002 .0002 -.0013 |
|
Al15 .32627 .27292 .06505 .522 .0126 .0116 .0147 .0002 .0002 -.0013 |
|
Si16 .39845 .10772 .06564 .921 .0111 .0088 .0136 -.0006 .0011 -.0001 |
|
Al16 .39845 .10772 .06564 .079 .0111 .0088 .0136 -.0006 .0011 -.0001 |
|
O1 .1384 .3901 .2052 .0154 .0103 .0189 .0022 .0050 .0013 |
|
O2 .3959 .3922 .2063 .0136 .0142 .0137 .0033 .0013 .0000 |
|
O3 .4793 .1914 .2884 .0119 .0144 .0143 .0014 .0024 .0003 |
|
O4 .4808 .3903 .3072 .0151 .0201 .0157 .0044 .0039 .0030 |
|
O5 .3564 .4791 .3075 .0147 .0173 .0215 .0052 .0015 .0006 |
|
O6 .3564 .0850 .2826 .0084 .0091 .0163 -.0003 -.0006 -.0008 |
|
O7 .2319 .1794 .2820 .0131 .0149 .0116 -.0004 .0009 .0005 |
|
O8 .2317 .3730 .2930 .0130 .0105 .0116 .0009 .0010 -.0007 |
|
O9 .1134 .4773 .3089 .0123 .0153 .0176 .0007 .0010 -.0037 |
|
O10 .1071 .0870 .2818 .0127 .0093 .0156 -.0017 .0016 -.0016 |
|
O11 .0129 .3061 .2094 .0100 .0135 .0143 .0024 .0039 .0006 |
|
O12 .0127 .1098 .1910 .0145 .0217 .0144 -.0030 .0015 -.0013 |
|
O13 .1033 .0975 -.0007 .0275 .0293 .0095 -.0051 -.0058 -.0016 |
|
O14 .1670 .2985 .0001 .0229 .0133 .0192 .0056 -.0016 .0017 |
|
O15 .1303 .4967 .1257 .0200 .0098 .0134 -.0018 -.0015 .0007 |
|
O16 .0537 .3726 .1221 .0124 .0195 .0167 -.0079 .0036 .0018 |
|
O17 .1686 .3518 .1053 .0168 .0155 .0238 -.0036 .0050 -.0041 |
|
O18 .1410 .1941 .0838 .0173 .0198 .0203 -.0006 .0044 .0009 |
|
O19 .0461 .0926 .0894 .0148 .0136 .0269 .0000 .0080 -.0023 |
|
O20 .1545 .0336 .0907 .0150 .0162 .0363 -.0012 .0070 .0086 |
|
O21 .2556 .2515 .0784 .0218 .0205 .0284 .0034 .0050 .0007 |
|
O22 .3908 .4970 .1262 .0209 .0110 .0170 .0007 .0007 -.0001 |
|
O23 .4640 .3712 .1235 .0140 .0221 .0135 .0063 .0023 .0024 |
|
O24 .3477 .3531 .1064 .0201 .0171 .0218 .0010 -.0014 -.0046 |
|
O25 .3721 .1942 .0844 .0150 .0175 .0189 -.0013 .0020 -.0007 |
|
O26 .3598 .0348 .0908 .0148 .0160 .0306 .0045 -.0016 .0094 |
|
O27 .4668 .0937 .0918 .0127 .0113 .0281 .0010 -.0050 -.0050 |
|
O28 .4801 .2717 .3817 .0251 .0094 .0166 -.0018 .0019 -.0006 |
|
O29 .2993 .1252 .3697 .0077 .0119 .0203 .0022 .0025 .0022 |
|
O30 .4179 .1404 .3712 .0136 .0175 .0245 -.0078 .0038 .0004 |
|
O31 .4164 .4063 .3921 .0112 .0189 .0134 .0032 .0033 -.0009 |
|
O32 .3011 .3946 .3830 .0136 .0195 .028 -.0024 .0022 .0034 |
|
O33 .2399 .2616 .3740 .0230 .0107 .0148 -.0006 -.0008 .0000 |
|
O34 .1811 .1229 .3691 .0135 .0143 .0179 -.0043 .0031 .0011 |
|
O35 .0634 .1422 .3725 .0123 .0164 .0229 .0044 .0030 -.0031 |
|
O36 .0018 .2722 .3841 .0181 .0116 .0197 .0006 -.0010 -.0019 |
|
O37 .0676 .4058 .3937 .0112 .0142 .0267 -.0055 .0064 -.0024 |
|
O38 .1826 .3964 .3853 .0117 .0220 .0176 .0044 .0022 -.0004 |
|
OH39 .0201 .4958 .2247 .0104 .0135 .0218 -.0027 .0026 -.0027 |
|
OH40 .3931 .1955 .1991 .0114 .0150 .0183 .0014 .0054 -.0023 |
|
OH41 .2701 .4893 .2172 .0100 .0102 .0262 -.0008 .0045 .0036 |
|
OH42 .2654 .2891 .2006 .0183 .0106 .0228 -.0031 .0040 .0019 |
|
OH43 .2681 .0850 .1933 .0172 .0136 .0192 .0013 .0027 -.0016 |
|
OH44 .1401 .1912 .1978 .0152 .0149 .0162 -.0028 .0018 -.0003 |
|
OH45 .3550 .2826 .2868 .0078 .0157 .0223 .0001 .0001 .0003 |
|
OH46 .1093 .2850 .2880 .0135 .0111 .0108 -.0021 .0013 .0015 |
|
Ca .2292 .5584 .0003 .5 .077 .044 .121 -.008 .004 -.008 |
|
K1 .25 .9720 0 .263 .107 .133 .036 0 -.007 0 |
|
K2 .0176 .9745 .0012 .152 .042 .070 .027 -.051 .004 -.007 |
|
Wat50 .2558 .4709 .0742 .033 .026 .117 -.001 .011 -.015 |
|
Wat51 .1485 .4734 .0001 .5 .044 .053 .043 -.001 -.004 .008 |
|
Wat52 .1412 .6409 .0008 .5 .166 .071 .084 .040 .016 -.013 |
|
Wat53 .2467 .6981 -.0041 .5 .275 .066 .084 -.025 .025 -.020 |
|
Wat54 .3361 .5479 -.0013 .5 .066 .208 .091 .041 .006 .003 |
|
Wat55 .1762 .8110 .0020 .5 .318 .075 .072 -.025 -.026 .003 |
|
Wat56 .4100 .4461 .0015 .5 .386 .143 .063 -.150 -.016 .002 |
|
Wat57 .25 .0928 0 .33 .074 .145 .097 0 .018 0 |
|
Wat58 .4781 .2807 -.0005 .57 .319 .763 .143 .079 .058 -.116 |
|
Wat59 .0402 .5529 -.0035 .93 .304 .458 .362 .192 .039 .096 |
|
Wat60 .3925 .7495 -.0023 .5 .315 .627 .099 -.119 .017 -.050 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Bannisterite |
|
Heaney P J, Post J E, Evans H T |
| |
Clays and Clay Minerals 40 (1992) 129-144 |
|
The crystal structure of bannisterite |
|
Locality: Franklin Furnace, New Jersey, USA |
|
_database_code_amcsd 0012234 |
|
22.265 16.368 24.668 90 94.285 90 A2/a |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mn1 .06395 .39172 .25824 .622 .0082 .0083 .0126 -.0009 .0000 -.0010 |
|
Fe1 .06395 .39172 .25824 .145 .0082 .0083 .0126 -.0009 .0000 -.0010 |
|
Mg1 .06395 .39172 .25824 .143 .0082 .0083 .0126 -.0009 .0000 -.0010 |
|
Zn1 .06395 .39172 .25824 .101 .0082 .0083 .0126 -.0009 .0000 -.0010 |
|
Mn2 .06248 .19552 .24150 .622 .0063 .0084 .0117 -.0008 .0001 -.0002 |
|
Fe2 .06248 .19552 .24150 .145 .0063 .0084 .0117 -.0008 .0001 -.0002 |
|
Mg2 .06248 .19552 .24150 .143 .0063 .0084 .0117 -.0008 .0001 -.0002 |
|
Zn2 .06248 .19552 .24150 .101 .0063 .0084 .0117 -.0008 .0001 -.0002 |
|
Mn3 .18958 .48451 .25857 .622 .0070 .0093 .0143 .0005 .0000 .0018 |
|
Fe3 .18958 .48451 .25857 .145 .0070 .0093 .0143 .0005 .0000 .0018 |
|
Mg3 .18958 .48451 .25857 .143 .0070 .0093 .0143 .0005 .0000 .0018 |
|
Zn3 .18958 .48451 .25857 .101 .0070 .0093 .0143 .0005 .0000 .0018 |
|
Mn4 .18614 .28580 .23989 .622 .0067 .0076 .0126 -.0005 -.0008 -.0009 |
|
Fe4 .18614 .28580 .23989 .145 .0067 .0076 .0126 -.0005 -.0008 -.0009 |
|
Mg4 .18614 .28580 .23989 .143 .0067 .0076 .0126 -.0005 -.0008 -.0009 |
|
Zn4 .18614 .28580 .23989 .101 .0067 .0076 .0126 -.0005 -.0008 -.0009 |
|
Mn5 .18593 .08659 .23173 .622 .0098 .0091 .0160 -.0003 -.0011 -.0013 |
|
Fe5 .18593 .08659 .23173 .145 .0098 .0091 .0160 -.0003 -.0011 -.0013 |
|
Mg5 .18593 .08659 .23173 .143 .0098 .0091 .0160 -.0003 -.0011 -.0013 |
|
Zn5 .18593 .08659 .23173 .101 .0098 .0091 .0160 -.0003 -.0011 -.0013 |
|
Mn6 .31203 .38372 .24574 .622 .0079 .0096 .0180 .0010 .0002 .0023 |
|
Fe6 .31203 .38372 .24574 .145 .0079 .0096 .0180 .0010 .0002 .0023 |
|
Mg6 .31203 .38372 .24574 .143 .0079 .0096 .0180 .0010 .0002 .0023 |
|
Zn6 .31203 .38372 .24574 .101 .0079 .0096 .0180 .0010 .0002 .0023 |
|
Mn7 .31049 .18732 .23522 .622 .0075 .0088 .0163 .0004 .0066 .0009 |
|
Fe7 .31049 .18732 .23522 .145 .0075 .0088 .0163 .0004 .0066 .0009 |
|
Mg7 .31049 .18732 .23522 .143 .0075 .0088 .0163 .0004 .0066 .0009 |
|
Zn7 .31049 .18732 .23522 .101 .0075 .0088 .0163 .0004 .0066 .0009 |
|
Mn8 .43868 .49424 .26580 .622 .0085 .0107 .0161 .0024 .0003 .0035 |
|
Fe8 .43868 .49424 .26580 .145 .0085 .0107 .0161 .0024 .0003 .0035 |
|
Mg8 .43868 .49424 .26580 .143 .0085 .0107 .0161 .0024 .0003 .0035 |
|
Zn8 .43868 .49424 .26580 .101 .0085 .0107 .0161 .0024 .0003 .0035 |
|
Mn9 .43620 .29186 .24771 .622 .0074 .0104 .0148 .0013 .0000 .0041 |
|
Fe9 .43620 .29186 .24771 .145 .0074 .0104 .0148 .0013 .0000 .0041 |
|
Mg9 .43620 .29186 .24771 .143 .0074 .0104 .0148 .0013 .0000 .0041 |
|
Zn9 .43620 .29186 .24771 .101 .0074 .0104 .0148 .0013 .0000 .0041 |
|
Mn10 .43463 .09284 .23280 .622 .0092 .0106 .0153 .0014 .0000 .0021 |
|
Fe10 .43463 .09284 .23280 .145 .0092 .0106 .0153 .0014 .0000 .0021 |
|
Mg10 .43463 .09284 .23280 .143 .0092 .0106 .0153 .0014 .0000 .0021 |
|
Zn10 .43463 .09284 .23280 .101 .0092 .0106 .0153 .0014 .0000 .0021 |
|
Si1 .12270 .40077 .14081 .0110 .0090 .0104 -.0018 .0004 -.0012 |
|
Si2 .39940 .40175 .14188 .0108 .0092 .0107 .0012 -.0021 -.0001 |
|
Si3 .52182 .31674 .14681 .0106 .0084 .0102 -.0001 -.0011 -.0009 |
|
Si4 .52240 .13016 .12889 .0101 .0095 .0128 .0005 -.0019 .0000 |
|
Si5 .64491 .04461 .12863 .0095 .0096 .0125 -.0008 -.0016 -.0011 |
|
Si6 .63959 .41334 .15176 .0090 .0089 .0120 .0001 -.0011 .0012 |
|
Si7 .76218 .32817 .15285 .0095 .0085 .0118 .0007 -.0001 .0002 |
|
Si8 .76175 .14303 .14316 .0078 .0077 .0133 -.0002 -.0014 .0005 |
|
Si9 .87565 .04426 .12768 .0085 .0104 .0124 .0013 -.0005 -.0016 |
|
Si10 .88471 .41233 .15251 .0083 .0082 .0108 -.0009 -.0006 .0004 |
|
Si11 .00114 .31556 .14498 .0086 .0081 .0108 -.0008 -.0003 -.0011 |
|
Si12 .99855 .12907 .12746 .0111 .0091 .0121 -.0006 .0001 -.0004 |
|
Si13 .11195 .10663 .06457 .812 .0141 .0106 .0113 .0000 .0015 .0000 |
|
Al13 .11195 .10663 .06457 .188 .0141 .0106 .0113 .0000 .0015 .0000 |
|
Si14 .18290 .27325 .06420 .645 .0137 .0126 .0108 .0004 -.0006 -.0009 |
|
Al14 .18290 .27325 .06420 .355 .0137 .0126 .0108 .0004 -.0006 -.0009 |
|
Si15 .32666 .27436 .06447 .446 .0120 .0140 .0136 .0003 -.0012 -.0014 |
|
Al15 .32666 .27436 .06447 .554 .0120 .0140 .0136 .0003 -.0012 -.0014 |
|
Si16 .39832 .10806 .06528 .921 .0106 .0102 .0109 .0005 -.0011 .0001 |
|
Al16 .39832 .10806 .06528 .079 .0106 .0102 .0109 .0005 -.0011 .0001 |
|
O1 .1376 .3892 .2052 .0114 .0112 .0163 -.0019 -.0023 .0017 |
|
O2 .3955 .3924 .2069 .0112 .0117 .0141 -.0018 .0015 -.0014 |
|
O3 .4797 .1919 .2884 .0109 .0100 .0184 .0019 .0020 -.0001 |
|
O4 .4824 .3917 .3077 .0116 .0169 .0163 -.0002 -.0006 .0063 |
|
O5 .3570 .4795 .3083 .0112 .0159 .0208 -.0014 .0001 .0006 |
|
O6 .3564 .0855 .2829 .0119 .0111 .0113 -.0010 -.0009 -.0021 |
|
O7 .2323 .1795 .2823 .0142 .0094 .0102 .0000 .0022 -.0004 |
|
O8 .2324 .3728 .2925 .0121 .0109 .0122 -.0030 -.0017 -.0010 |
|
O9 .1129 .4785 .3089 .0138 .0115 .0177 -.0022 .0016 -.0010 |
|
O10 .1081 .0883 .2825 .0105 .0108 .0138 -.0020 -.0009 .0005 |
|
O11 .0129 .3051 .2098 .0119 .0126 .0128 -.0031 .0022 .0020 |
|
O12 .0125 .1081 .1913 .0134 .0140 .0161 -.0065 -.0004 .0020 |
|
O13 .1029 .0964 -.0007 .0328 .0238 .0146 -.0061 -.0016 .0005 |
|
O14 .1662 .3003 .0009 .0196 .0194 .0215 .0039 -.0017 .0010 |
|
O15 .1300 .4961 .1258 .0235 .0111 .0135 -.0052 -.0019 .0015 |
|
O16 .0536 .3725 .1235 .0147 .0151 .0130 -.0051 -.0036 .0042 |
|
O17 .1678 .3514 .1054 .0193 .0193 .0145 .0011 -.0008 .0009 |
|
O18 .1406 .1956 .0820 .0171 .0236 .0132 -.0008 -.0010 -.0024 |
|
O19 .0469 .0914 .0899 .0207 .0101 .0203 -.0032 .0022 -.0026 |
|
O20 .1557 .0336 .0909 .0200 .0168 .0274 -.0027 .0059 .0045 |
|
O21 .2553 .2530 .0762 .0166 .0237 .0189 -.0016 .0008 -.0050 |
|
O22 .3923 .4979 .1276 .0177 .0130 .0142 .0027 -.0027 -.0002 |
|
O23 .4644 .3715 .1242 .0151 .0166 .0114 .0072 -.0003 .0023 |
|
O24 .3472 .3541 .1064 .0150 .0158 .0199 -.0035 -.0053 .0000 |
|
O25 .3720 .1943 .0827 .0173 .0189 .0174 .0018 -.0058 -.0010 |
|
O26 .3594 .0352 .0905 .0101 .0205 .0271 .0004 -.0059 .0028 |
|
O27 .4673 .0933 .0911 .0082 .0120 .0295 -.0005 -.0076 -.0029 |
|
O28 .4791 .2721 .3808 .0204 .0125 .0139 -.0001 -.0033 .0001 |
|
O29 .2992 .1252 .3695 .0101 .0145 .0152 .0031 -.0022 -.0006 |
|
O30 .4181 .1402 .3714 .0157 .0181 .0144 -.0044 -.0044 .0021 |
|
O31 .4164 .4063 .3917 .0118 .0173 .0101 .0030 .0006 .0010 |
|
O32 .3010 .3947 .3828 .0136 .0214 .0166 -.0039 -.0045 .0073 |
|
O33 .2389 .2621 .3739 .0213 .0105 .0132 -.0016 -.0037 -.0023 |
|
O34 .1811 .1234 .3684 .0151 .0135 .0115 -.0019 -.0036 .0027 |
|
O35 .0632 .1434 .3713 .0136 .0172 .0151 .0047 -.0028 -.0038 |
|
O36 .0006 .2728 .3831 .0245 .0103 .0138 -.0002 -.0025 .0004 |
|
O37 .0674 .4063 .3925 .0173 .0153 .0175 -.0016 -.0017 .0050 |
|
O38 .1818 .3971 .3845 .0167 .0193 .0150 .0060 .0007 .0004 |
|
OH39 .0203 .4961 .2229 .0193 .0107 .0136 -.0014 .0001 -.0001 |
|
OH40 .3926 .1967 .1983 .0184 .0114 .0186 .0041 .0020 -.0006 |
|
OH41 .2704 .4897 .2159 .0158 .0097 .0151 .0024 .0018 -.0004 |
|
OH42 .2656 .2898 .2005 .0139 .0161 .0160 .0028 -.0005 .0060 |
|
OH43 .2684 .0841 .1937 .0162 .0152 .0113 .0013 -.0005 .0009 |
|
OH44 .1393 .1924 .1975 .0151 .0135 .0129 -.0033 -.0015 -.0003 |
|
OH45 .3552 .2839 .2874 .0148 .0131 .0143 .0004 -.0014 -.0007 |
|
OH46 .1092 .2856 .2895 .0156 .0124 .0139 -.0019 -.0012 -.0019 |
|
Ca .2309 .5613 .0010 .5 .075 .044 .110 -.011 .000 .000 |
|
K1 .2653 .9560 -.0030 .188 .119 .106 .0080 .008 -.055 -.011 |
|
K2 .0182 .9721 .0012 .192 .056 .097 .022 -.062 -.008 .005 |
|
Wat50 .2550 .4707 .0753 .041 .040 .087 -.005 -.004 -.018 |
|
Wat51 .1496 .4745 .0003 .5 .049 .039 .040 .010 -.003 .001 |
|
Wat52 .1360 .6495 -.0009 .5 .134 .0142 .129 .047 -.012 .006 |
|
Wat53 .2594 .6961 -.0036 .5 .581 .118 .072 -.216 .064 -.044 |
|
Wat54 .3393 .5582 .0012 .5 .094 .503 .077 .004 -.008 -.023 |
|
Wat55 .1716 .8285 -.0003 .5 .345 .195 .028 -.089 -.018 -.001 |
|
Wat56 .4098 .4543 .0021 .5 .740 .245 .091 .029 .123 .028 |
|
Wat57 .25 .1054 0 .43 .067 .110 .100 0 -.031 0 |
|
Wat58 .5000 .2932 -.0007 .46 .740 .611 .007 .338 -.010 -.005 |
|
Wat59 .4670 .5607 .0092 .67 .262 .695 .383 -.330 .151 -.214 |
|
Wat60 .3837 .7969 -.0003 .5 .299 .556 .184 -.142 -.042 .003 |
|
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Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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