American Mineralogist Crystal Structure Database

6 matching records for this search.

Chekhovichite
Download hom/chekhovichite.pdf
Rossell H J, Leblanc M, Ferey G, Bevan D J M, Simpson D J, Taylor M R
 
Australian Journal of Chemistry 45 (1992) 1415-1425
On the crystal structure of Bi2Te4O11
Locality: synthetic
_database_code_amcsd 0012058
6.9909 7.9593 18.8963 90 95.176 90 P2_1/n
atom     x     y     z Biso
Bi1  .5640 .1180 .4216  .87
Bi2  .5642 .1100 .9142  .90
Te1  .2768 .1605 .2460  .63
Te2  .9141 .1194 .5743  .62
Te3  .2427 .0904 .7548  .95
Te4  .8932 .1392 .0718  .67
O1    .941  .170 .4777   .8
O2    .921  .172 .9707  1.0
O3    .270  .159 .5845  1.2
O4    .275  .145 .3448  1.5
O5    .562  .025 .7635  1.9
O6    .954  .153 .7507  2.0
O7    .644  .071 .5413  1.2
O8    .348  .169 .1076  1.5
O9    .671  .020 .0365   .9
O10   .802  .104 .1908  2.7
O11   .310  .223 .8349  2.2
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Tveitite-(Y)
Download hom/tveititey.pdf
Bevan D J M, Strahle J, Greis O
 
Journal of Solid State Chemistry 44 (1982) 75-81
The crystal structure of tveitite, an ordered yttrofluorite mineral
Note: a and b adjusted to match reported bond lengths
_database_code_amcsd 0013486
16.9620 16.9620 9.6664 90 90 120 R-3
atom     x     y     z occ Biso
Y    .0169 .1489 .1786      .60
Ca1      0     0 .5353  .5  2.8
Ca2  .2654 .2348 .1557       .1
Ca3  .1749 .4059 .1672      1.2
F1   .1958 .0831 .0040      1.0
F2   .1102 .0975 .2349      1.4
F3   .0190 .1495 .4146       .1
F4   .2702 .1024 .2573       .3
F5   .1576 .2686 .2515       .2
F6   .0324 .2842 .0971       .4
F7   .2955 .3838 .0744       .3
F8       0     0  .060  .5  1.4
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Carminite
Download hom/carminite.pdf
Kharisun, Taylor M R, Bevan D J M, Pring A
Download mm/vol60/MM60_805.pdf
Mineralogical Magazine 60 (1996) 805-811
The crystal structure of carminite:
refinement and bond valence calculations
Locality: Broken Hill, NSW, Australia
_database_code_amcsd 0014520
16.591 7.580 12.285 90 90 90 Cccm
atom      x      y      z  Uiso
Pb1       0      0    .25 .0145
Pb2     .25    .75      0 .0115
Fe   .37751  .1300 .13516 .0088
As1  .04286  .7384      0 .0070
As2  .21189      0    .25 .0054
O1    .0172  .2469  .1114  .009
O2    .0923  .5401      0  .011
O3    .1121 -.1041      0  .013
O4    .1512  .1758  .2415  .013
O5    .2723 -.0034  .1390 .0087
OH6   .1690  .2387      0  .006
OH7   .4222      0    .25  .011
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Kintoreite
Download hom/kintoreite.pdf
Kharisun, Taylor M R, Bevan D J M, Pring A
Download mm/vol61/MM61_123.pdf
Mineralogical Magazine 61 (1997) 123-129
The crystal structure of kintoreite, PbFe3(PO4)2(OH,H2O)6
Note: occupancy of P and As are switched from the reported values
Locality: Kintore opencut, Broken Hill, New South Wales, Australia
_database_code_amcsd 0014525
7.3310 7.3310 16.885 90 90 120 R-3m
atom      x      y      z   occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb   -.0180  .0380  .0005 .0833   .03    .06    .03  .0138   .030    .00   -.00
Fe       .5      0     .5       .0118  .0120  .0076  .0144  .0038  .0001  .0002
P         0      0  .3146   .73  .008  .0090  .0090   .007  .0045     .0     .0
As        0      0  .3146   .16  .008  .0090  .0090   .007  .0045     .0     .0
S         0      0  .3146   .11  .008  .0090  .0090   .007  .0045     .0     .0
O1        0      0  .5946        .019   .020   .020   .018    .01     .0     .0
O2    .2181 -.2181 -.0528        .019   .026   .026   .014   .019   .000   .000
OH3   .1283 -.1283  .1331        .010   .006   .006   .013  -.000   .001  -.001
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Mawbyite
Download hom/mawbyite.pdf
Kharisun, Taylor M R, Bevan D J M, Rae A D, Pring A
Download mm/vol61/MM61_685.pdf
Mineralogical Magazine 61 (1997) 685-691
The crystal structure of mawbyite, PbFe2(AsO4)2(OH)2
Locality: Broken Hill, New South Wales, Australia, type specimen
_database_code_amcsd 0014531
9.066 6.286 7.564 90 114.857 90 C2/m
atom     x     y     z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb       0     0     0 .025   .024   .022   .028      0  -.003      0
Fe     .25   .25    .5 .013   .012   .008   .017   .001  -.002  -.013
As   .9176    .5 .2131 .016   .011   .016   .021      0   .001      0
O1   .3421    .5 .4101 .014   .003   .023   .015      0  -.004      0
O2   .3103     0 .3553 .018   .005   .021   .028      0   .000      0
O3   .0370 .2826 .2701 .018   .016   .014   .024   .004  -.001  -.008
O4   .2197    .5 .0127 .028   .024   .037   .023      0  -.004      0
H    .2973    .5 .2646
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Duftite
Download hom/duftite.pdf
Kharisun, Taylor M R, Bevan D J M, Pring A
Download mm/vol62/MM62_121.pdf
Mineralogical Magazine 62 (1998) 121-130
The crystal chemistry of duftite, PbCuAsO4(OH) and the beta-duftite problem
Note: sample is synthetic
_database_code_amcsd 0014532
7.768 9.211 5.999 90 90 90 P2_12_12_1
atom     x      y     z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb   .3764  .1668 .4793       .0102  .0091  .0142  .0018 -.0002  .0002
Cu   .2556  .4963 .7537        .014  .0071   .002 -.0006  -.001 -.0032
As   .3686 -.1934 .5076       .0078  .0047   .007 -.0004  .0020 -.0003
O2    .142   .285  .765 .017
O3    .126   .305  .241 .012
O4    .541  -.085  .494 .012
O5    .197  -.085  .538 .020
OH1   .385   .438  .497 .008
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Total number of retrieved datasets: 6
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