American Mineralogist Crystal Structure Database

42 matching records for this search.

Abernathyite
Download hom/abernathyite.pdf
Ross M, Evans H T
Download am/vol49/AM49_1578.pdf
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
Locality: Fuemrol No. 2 mine, Temple Mountain, Emery County, Utah, USA
_database_code_amcsd 0000130
7.176 7.176 18.126 90 90 90 *P4/ncc
.25 -.25 0
atom     x     y     z occ Biso
K    .1650 .9876 .3154 .25 3.71
U      .25   .25 .0514     1.90
As     .75   .25     0     1.84
Oa     .25   .25 .1515     2.99
Ob     .25   .25 .9575     2.48
Oc   .6963 .0729 .4433     2.75
Watd .1650 .9876 .3154 .75 3.71
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Abernathyite
Download hom/abernathyite.pdf
Ross M, Evans H T
Download am/vol49/AM49_1578.pdf
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
Locality: synthetic
_database_code_amcsd 0000131
7.189 7.189 18.191 90 90 90 *P4/ncc
.25 -.25 0
atom    x    y     z occ Biso
N    .158 .993  .317 .25  3.3
H4   .158 .993  .317      3.3
U     .25  .25 .0512     2.54
As    .75  .25     0     1.68
Oa    .25  .25  .151
Ob    .25  .25  .956      3.0
Oc   .696 .076  .447
Watd .158 .993  .317 .75  3.3
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Abernathyite
Download hom/abernathyite.pdf
Ross M, Evans H T
Download am/vol49/AM49_1578.pdf
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)
Locality: synthetic
_database_code_amcsd 0000132
7.171 7.171 18.048 90 90 90 *P4/ncc
.25 -.25 0
atom    x    y     z  occ Biso
K    .150 .993  .315 .125  4.1
Od   .150 .993  .315 .125  4.1
Hd   .150 .993  .315 .375  4.1
U     .25  .25 .0520      2.27
As    .75  .25     0      1.59
Oa    .25  .25  .150       3.6
Ob    .25  .25  .958       2.9
Oc   .696 .071  .448
Watd .150 .993  .315  .75  4.1
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Montroseite
Download hom/montroseite.pdf
Evans H T, Block S
Download am/vol38/AM38_1242.pdf
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
Download hom/montroseite.pdf
Evans H T, Mrose M E
Download am/vol40/AM40_861.pdf
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
Download hom/paramontroseite.pdf
Evans H T, Mrose M E
Download am/vol40/AM40_861.pdf
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
Download hom/smythite.pdf
Erd R C, Evans H T, Richter D H
Download am/vol42/AM42_309.pdf
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
Download am/vol44/AM44_1210.pdf
American Mineralogist 44 (1959) 1210-1218
New wurtzite polytypes from Joplin, Missouri
_database_code_amcsd 0000088
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
Download am/vol44/AM44_1210.pdf
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
Download hom/haggite.pdf
Evans H T, Mrose M E
Download am/vol45/AM45_1144.pdf
American Mineralogist 45 (1960) 1144-1166
A crystal chemical study of the vanadium oxide minerals, haggite and doloresite
_database_code_amcsd 0000094
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
Download hom/doloresite.pdf
Evans H T, Mrose M E
Download am/vol45/AM45_1144.pdf
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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Metatorbernite
Download hom/metatorbernite.pdf
Ross M, Evans H T, Appleman D E
Download am/vol49/AM49_1603.pdf
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
Download hom/margaritasite.pdf
Appleman D E, Evans H T
Download am/vol50/AM50_825.pdf
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
Download hom/cavansite.pdf
Evans H T
Download am/vol58/AM58_412.pdf
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
Download hom/pentagonite.pdf
Evans H T
Download am/vol58/AM58_412.pdf
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
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Covellite
Download hom/covellite.pdf
Evans H T, Konnert J A
Download am/vol61/AM61_996.pdf
American Mineralogist 61 (1976) 996-1000
Crystal structure refinement of covellite
Locality: Summitville, Colorado
_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
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Shattuckite
Download hom/shattuckite.pdf
Evans H T, Mrose M E
Download am/vol62/AM62_491.pdf
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
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Plancheite
Download hom/plancheite.pdf
Evans H T, Mrose M E
Download am/vol62/AM62_491.pdf
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
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Sherwoodite
Download hom/sherwoodite.pdf
Evans H T, Konnert J A
Download am/vol63/AM63_863.pdf
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
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Erdite
Download hom/erdite.pdf
Konnert J A, Evans H T
Download am/vol65/AM65_516.pdf
American Mineralogist 65 (1980) 516-521
The crystal structure of erdite, NaFeS2*2H2O
Locality:  Coyote Peak, Humboldt County, California, USA
_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
Wat  .130  .584 .414  0.065  0.027  0.004  -.012  0.001  0.005
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Bartonite
Download hom/bartonite.pdf
Evans H T, Clark J R
Download am/vol66/AM66_376.pdf
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
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Melanovanadite
Download hom/melanovanadite.pdf
Konnert J A, Evans H T
Download am/vol72/AM72_637.pdf
American Mineralogist 72 (1987) 637-644
Crystal structure and crystal chemistry of melanovanadite,
a natural vanadium bronze
note: reportd Uiso values seem off by a factor of 10, so they have been modified
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 .0131   .021   .015   .016  -.001   .006   .003
Ca2   .2262 .7409 .3235 .12 .0131
V1A   .6707 .0468 .6985     .0110   .011   .020   .006   .000   .006   .006
V2A   .2174 .0205 .8558     .0090   .006   .011   .007  -.001   .001   .002
O1A   .0388 .0002 .2811      .015   .022   .031   .007   .007   .012   .006
O2A   .2176 .1097 .0444      .017   .026   .019   .040  -.004   .004   .017
O3A   .6761 .1392 .7218      .014   .031   .005   .026   .002   .004   .011
O4A   .6851 .0486 .0117      .013   .015   .016   .018  -.005  -.004  -.004
O5A   .3742 .0149 .6353      .012   .010   .026   .005   .003   .004   .002
V1B   .6726 .5453 .6957     .0095   .010   .011   .006   .000   .001   .004
V2B   .2185 .5211 .8571     .0114   .016   .021   .003   .007   .006   .002
O1B   .0387 .5031 .2858      .012   .008   .025   .008  -.001  -.002   .007
O2B   .2050 .6090 .0453      .014   .023   .032   .006   .006   .010  -.005
O3B   .6856 .6332 .7067      .018   .032   .041   .023  -.013   .002   .009
O4B   .6817 .5490 .0111      .013   .021   .024   .005   .010   .010   .006
O5B   .3713 .5186 .6362      .012   .011   .029   .008  -.006   .001   .009
Wat6  .0205 .7508 .0109      .019   .045   .021   .047   .004   .008   .015
Wat7  .0833 .1674 .4962      .019   .054   .034   .016   .012   .018   .006
Wat8  .5852 .2089 .2561      .021   .032   .035   .065  -.006   .026  -.017
Wat9  .0759 .6709 .5171      .021   .057   .017   .062  -.005   .030   .011
Wat10 .5980 .7111 .2908      .021   .059   .046   .026   .002  -.002  -.006
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Fuenzalidaite
Download hom/fuenzalidaite.pdf
Konnert J A, Evans H T, McGee J J, Ericksen G E
Download am/vol79/AM79_1003.pdf
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
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Carlosruizite
Download hom/carlosruizite.pdf
Konnert J A, Evans H T, McGee J J, Ericksen G E
Download am/vol79/AM79_1003.pdf
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
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Phosphovanadylite-Ba
 
Medrano M D, Evans H T, Wenk H R, Piper D Z
Download am/vol83/AM83_889.pdf
American Mineralogist 83 (1998) 889-895
Phosphovanadylite: A new vanadium phosphate mineral
with a zeolite-type structure
Locality: Monsanto's Enoch Valley mine, Soda Springs, Idaho, USA
_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
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Gonnardite
Download hom/gonnardite.pdf
Evans H T, Konnert J A, Ross M
Download am/vol85/AM85_1808.pdf
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
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Hewettite
Download hom/hewettite.pdf
Evans H T
Download cm/vol27/CM27_181.pdf
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
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Fernandinite
Download hom/fernandinite.pdf
Evans H T, Post J E, Ross D R, Nelen J A
Download cm/vol32/CM32_339.pdf
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
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Bobjonesite
 
Schindler M, Hawthorne F C, Huminicki D M C, Haynes P, Grice J D, Evans H T
Download cm/vol41/CM41_83.pdf
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
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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
Download cm/vol42/CM42_741.pdf
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
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Duttonite
Download hom/duttonite.pdf
Evans H T, Mrose M E
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0365-110X&volume=11&spage=56
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
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Haggite
Download hom/haggite.pdf
Evans H T, Mrose M E
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0365-110X&volume=11&spage=56
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
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Doloresite
Download hom/doloresite.pdf
Evans H T, Mrose M E
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0365-110X&volume=11&spage=56
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
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Tachyhydrite
Download hom/tachyhydrite.pdf
Clark J R, Evans H T, Erd R C
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=36&spage=2736
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
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Pigeonite
Download hom/pigeonite.pdf
Morimoto N, Appleman D E, Evans H T
Download zk/vol114/ZK114_120.pdf
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
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Clinoenstatite
Download hom/clinoenstatite.pdf
Morimoto N, Appleman D E, Evans H T
Download zk/vol114/ZK114_120.pdf
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
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Chalcocite
Download hom/chalcocite.pdf
Evans H T
Download zk/vol150/ZK150_299.pdf
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)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Djurleite
Download hom/djurleite.pdf
Evans H T
Download zk/vol150/ZK150_299.pdf
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 (permalink)
 
Bannisterite
Download hom/bannisterite.pdf
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)
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Bannisterite
Download hom/bannisterite.pdf
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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Chalcocite
Download hom/chalcocite.pdf
Evans H T
 
Nature Physical Science 232 (1971) 69-70
Crystal structure of low chalcocite
Locality: Bristol, Connecticut, USA
_database_code_amcsd 0019202
15.246 11.884 13.494 90 116.35 90 P2_1/c
atom     x     y     z
Cu1  .8647 .2496 .2923
Cu2  .6171 .0733 .6766
Cu3  .6100 .0906 .1673
Cu4  .3627 .2392 .0743
Cu5  .1283 .0858 .9452
Cu6  .1060 .0789 .4422
Cu7  .9340 .1228 .9916
Cu8  .9413 .1413 .5094
Cu9  .7617 .2505 .4112
Cu10 .4431 .1488 .9352
Cu11 .4259 .1235 .4390
Cu12 .2581 .2355 .8512
Cu13 .8212 .0360 .6834
Cu14 .7832 .0623 .1673
Cu15 .0264 .2044 .7726
Cu16 .5020 .0800 .2837
Cu17 .3030 .0434 .6232
Cu18 .3050 .0431 .1343
Cu19 .5251 .2085 .7543
Cu20 .9994 .0854 .2174
Cu21 .6229 .1043 .9537
Cu22 .7034 .1939 .5653
Cu23 .2028 .2082 .1405
Cu24 .1307 .0963 .6792
S1   .9570 .0847 .8420
S2   .9399 .0774 .3457
S3   .7924 .0827 .5068
S4   .7918 .0830 .0054
S5   .4495 .0873 .6140
S6   .4444 .0721 .0948
S7   .3020 .0776 .7881
S8   .2834 .0817 .2865
S9   .6972 .2482 .7223
S10  .5479 .2244 .4168
S11  .1960 .2384 .4752
S12  .0475 .2323 .1338
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Djurleite
Download hom/djurleite.pdf
Evans H T
 
Science 203 (1979) 356-358
Djurleite (Cu1.94S) and low chalcocite (Cu2S): New crystal structure studies
Locality: Ozark Lead Co. mine, Sweetwater, Missouri
_database_code_amcsd 0019203
26.897 15.745 13.565 90 90.13 90 P2_1/n
atom     x     y     z
Cu1  .0585 .4995 .0013
Cu2  .0629 .7546 .0057
Cu3  .0658 .1287 .2463
Cu4  .0666 .9891 .4950
Cu5  .0547 .2432 .5000
Cu6  .0637 .5088 .4961
Cu7  .0674 .1130 .7588
Cu8  .0618 .3601 .7429
Cu9  .0684 .6153 .7550
Cu10 .1882 .9989 .9975
Cu11 .1932 .2538 .9947
Cu12 .1801 .7454 .9895
Cu13 .1886 .1258 .2391
Cu14 .1944 .6213 .2498
Cu15 .1901 .8707 .2424
Cu16 .1817 .9986 .4833
Cu17 .1940 .7508 .4955
Cu18 .1816 .1337 .7545
Cu19 .1890 .3852 .7412
Cu20 .1931 .8773 .7385
Cu21 .0161 .1536 .0656
Cu22 .0169 .3899 .1376
Cu23 .0180 .6341 .1245
Cu24 .0148 .8770 .1250
Cu25 .0146 .2896 .3053
Cu26 .0164 .4645 .3179
Cu27 .0177 .7394 .3335
Cu28 .0140 .1048 .5903
Cu29 .0112 .3880 .5622
Cu30 .0176 .8598 .6328
Cu31 .0143 .9668 .8129
Cu32 .1082 .0815 .0721
Cu33 .1068 .3423 .0638
Cu34 .1032 .9108 .0500
Cu35 .1081 .5347 .3120
Cu36 .1120 .7677 .3252
Cu37 .1086 .9563 .3169
Cu38 .1082 .6590 .5622
Cu39 .1075 .8336 .5589
Cu40 .1049 .0073 .8886
Cu41 .1077 .2500 .8788
Cu42 .1129 .4712 .8329
Cu43 .1091 .7740 .8161
Cu44 .1392 .4992 .1277
Cu45 .1372 .7337 .1493
Cu46 .1392 .1697 .4233
Cu47 .1397 .3639 .4205
Cu48 .1404 .0064 .6588
Cu49 .1453 .2554 .6100
Cu50 .1443 .5029 .6162
Cu51 .1420 .5960 .9293
Cu52 .2241 .2886 .1852
Cu53 .2303 .4620 .1977
Cu54 .2346 .1367 .4227
Cu55 .2346 .3904 .4062
Cu56 .2308 .5872 .4358
Cu57 .2344 .5411 .6927
Cu58 .2325 .7142 .6811
Cu59 .2306 .4097 .9373
Cu60 .2373 .6349 .8738
Cu61 .2359 .8561 .9123
Cu62 .1270 .2612 .2454
S1   .0652 .9917 .1734
S2   .0571 .2572 .1613
S3   .0580 .5131 .1751
S4   .0562 .7546 .1751
S5   .0615 .1176 .4136
S6   .0571 .3717 .4211
S7   .0700 .6329 .4106
S8   .0674 .8637 .4137
S9   .0570 .9926 .6629
S10  .0663 .2347 .6674
S11  .0651 .4905 .6678
S12  .0692 .7459 .6725
S13  .0653 .1311 .9272
S14  .0636 .3746 .9152
S15  .0616 .6295 .9252
S16  .0656 .8733 .9023
S17  .1888 .1290 .0734
S18  .1870 .3823 .0798
S19  .1824 .6235 .0790
S20  .1836 .8687 .0737
S21  .1892 .0037 .3209
S22  .1926 .2555 .3401
S23  .1876 .4955 .3382
S24  .1949 .7471 .3278
S25  .1827 .1241 .5768
S26  .1829 .3774 .5737
S27  .1900 .6224 .5799
S28  .1870 .8784 .5743
S29  .1847 .9991 .8254
S30  .1875 .2605 .8288
S31  .1923 .5086 .8385
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View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 42
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