Carminite
Kharisun, Taylor M R, Bevan D J M, Pring A
Mineralogical Magazine 60 (1996) 805-811
The crystal structure of carminite:
refinement and bond valence calculations
Locality: Broken Hill, NSW, Australia
_database_code_amcsd 0014520
16.591 7.580 12.285 90 90 90 Cccm
atom x y z Uiso
Pb1 0 0 .25 .0145
Pb2 .25 .75 0 .0115
Fe .37751 .1300 .13516 .0088
As1 .04286 .7384 0 .0070
As2 .21189 0 .25 .0054
O1 .0172 .2469 .1114 .009
O2 .0923 .5401 0 .011
O3 .1121 -.1041 0 .013
O4 .1512 .1758 .2415 .013
O5 .2723 -.0034 .1390 .0087
OH6 .1690 .2387 0 .006
OH7 .4222 0 .25 .011
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Kintoreite
Kharisun, Taylor M R, Bevan D J M, Pring A
Mineralogical Magazine 61 (1997) 123-129
The crystal structure of kintoreite, PbFe3(PO4)2(OH,H2O)6
Note: occupancy of P and As are switched from the reported values
Locality: Kintore opencut, Broken Hill, New South Wales, Australia
_database_code_amcsd 0014525
7.3310 7.3310 16.885 90 90 120 R-3m
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb -.0180 .0380 .0005 .0833 .03 .06 .03 .0138 .030 .00 -.00
Fe .5 0 .5 .0118 .0120 .0076 .0144 .0038 .0001 .0002
P 0 0 .3146 .73 .008 .0090 .0090 .007 .0045 .0 .0
As 0 0 .3146 .16 .008 .0090 .0090 .007 .0045 .0 .0
S 0 0 .3146 .11 .008 .0090 .0090 .007 .0045 .0 .0
O1 0 0 .5946 .019 .020 .020 .018 .01 .0 .0
O2 .2181 -.2181 -.0528 .019 .026 .026 .014 .019 .000 .000
OH3 .1283 -.1283 .1331 .010 .006 .006 .013 -.000 .001 -.001
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Mawbyite
Kharisun, Taylor M R, Bevan D J M, Rae A D, Pring A
Mineralogical Magazine 61 (1997) 685-691
The crystal structure of mawbyite, PbFe2(AsO4)2(OH)2
Locality: Broken Hill, New South Wales, Australia, type specimen
_database_code_amcsd 0014531
9.066 6.286 7.564 90 114.857 90 C2/m
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb 0 0 0 .025 .024 .022 .028 0 -.003 0
Fe .25 .25 .5 .013 .012 .008 .017 .001 -.002 -.013
As .9176 .5 .2131 .016 .011 .016 .021 0 .001 0
O1 .3421 .5 .4101 .014 .003 .023 .015 0 -.004 0
O2 .3103 0 .3553 .018 .005 .021 .028 0 .000 0
O3 .0370 .2826 .2701 .018 .016 .014 .024 .004 -.001 -.008
O4 .2197 .5 .0127 .028 .024 .037 .023 0 -.004 0
H .2973 .5 .2646
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Duftite
Kharisun, Taylor M R, Bevan D J M, Pring A
Mineralogical Magazine 62 (1998) 121-130
The crystal chemistry of duftite, PbCuAsO4(OH) and the beta-duftite problem
Note: sample is synthetic
_database_code_amcsd 0014532
7.768 9.211 5.999 90 90 90 P2_12_12_1
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb .3764 .1668 .4793 .0102 .0091 .0142 .0018 -.0002 .0002
Cu .2556 .4963 .7537 .014 .0071 .002 -.0006 -.001 -.0032
As .3686 -.1934 .5076 .0078 .0047 .007 -.0004 .0020 -.0003
O2 .142 .285 .765 .017
O3 .126 .305 .241 .012
O4 .541 -.085 .494 .012
O5 .197 -.085 .538 .020
OH1 .385 .438 .497 .008
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