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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Metatorbernite
Stubbs J E, Post J E, Elbert D C, Heaney P J, Veblen D R
American Mineralogist 95 (2010) 1132-1140
Uranyl phosphate sheet reconstruction during dehydration of
metatorbernite [Cu(UO2)2(PO4)2*8H2O]
Note: This is the 8.7 Angstrom phase while heating at 31.5 C
Locality: Bois Noirs, France
_database_code_amcsd 0016811
6.96519 6.96519 17.3102 90 90 90 *P4/n
.25 -.25 0
atom x y z Uiso
Cu .25 .25 .3092 .0072
U1 .25 .25 .05242 .0083
U2 .25 .25 .55092 .0083
P1 .25 .75 0 .0138
P2 .25 .75 .5 .0138
O1 .25 .25 .4474 .01
O2 .25 .25 .9484 .01
O3 .25 .25 .6521 .01
O4 .25 .25 .1542 .01
O5 .299 .9083 .0571 .01
O6 .215 .9304 .5482 .01
Wat7 .5280 .2797 .3147 .01
Wat8 .3392 .5149 .8048 .01
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Metatorbernite
Stubbs J E, Post J E, Elbert D C, Heaney P J, Veblen D R
American Mineralogist 95 (2010) 1132-1140
Uranyl phosphate sheet reconstruction during dehydration of
metatorbernite [Cu(UO2)2(PO4)2*8H2O]
Note: This is the 8.3 Angstrom phase while heating at 129 C
Locality: Bois Noirs, France
_database_code_amcsd 0016812
6.95510 6.95510 16.6604 90 90 90 *P4/n
.25 -.25 0
atom x y z occ Uiso
Cu1 .25 .25 .2999 .881 .0135
U1 .25 .25 .04955 .0135
U2 .25 .25 .55328 .0135
P1 .25 .75 0 .0133
P2 .25 .75 .5 .0133
O1 .25 .25 .4485 .01
O2 .25 .25 .9400 .01
O3 .25 .25 .6588 .01
O4 .25 .25 .1519 .01
O5 .304 .9096 .0579 .022
O6 .266 .9319 .5515 .022
Wat7 .559 .172 .2989 .69 .03
Wat8 .3396 .455 .8059 .841 .03
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Metatorbernite
Stubbs J E, Post J E, Elbert D C, Heaney P J, Veblen D R
American Mineralogist 95 (2010) 1132-1140
Uranyl phosphate sheet reconstruction during dehydration of
metatorbernite [Cu(UO2)2(PO4)2*8H2O]
Note: This is the 6.9 Angstrom phase while heating at 173 C
Locality: Bois Noirs, France
_database_code_amcsd 0016813
14.4979 7.0159 6.6312 90 107.585 90 P2_1
atom x y z occ Uiso
Cu1 .2324 .475 .527 .930 .008
U1 .0188 .7894 .1541 .0114
U2 .4942 .2192 .8375 .0114
P1 .0559 .2993 .3491 .027
P2 .4918 .7013 .6356 .027
O1 .1461 .844 .227 .01
O2 .3627 .245 .774 .01
O3 -.1081 .730 .086 .01
O4 .6234 .206 .889 .01
O5 .0542 .469 .202 .01
O6 .5189 .539 .801 .01
O7 .0130 .125 .202 .01
O8 .5060 .884 .773 .01
O9 -.0110 .339 .491 .01
O10 .5654 .703 .519 .01
O11 .1596 .250 .472 .01
O12 .3844 .689 .497 .01
Wat13 .749 -.041 .042 .01
Wat14 .701 -.191 .724 .01
Wat15 .731 .499 .792 .01
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Metatorbernite
Locock A J, Burns P C
The Canadian Mineralogist 41 (2003) 489-502
Crystal structures and synthesis of the copper-dominant members of the autunite
and meta-autunite groups: Torbernite, zeunerite, metatorbernite and metazeunerite
_database_code_amcsd 0005832
6.9756 6.9756 17.349 90 90 90 *P4/n
.25 -.25 0
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
U1 1/4 1/4 .0517 .011 .010 .010 .013 0 0 0
U2 1/4 1/4 .5513 .009 .009 .009 .011 0 0 0
Cu 1/4 1/4 .3112 .883 .016 .017 .017 .015 0 0 0
P1 1/4 3/4 0 .010 .009 .009 .013 0 0 0
P2 1/4 3/4 1/2 .010 .009 .009 .013 0 0 0
O1 1/4 1/4 .4490 .019 .020 .020 .018 0 0 0
O2 1/4 1/4 -.0503 .021 .028 .028 .008 0 0 0
O3 1/4 1/4 .6539 .024 .025 .025 .021 0 0 0
O4 1/4 1/4 .1564 .023 .029 .029 .012 0 0 0
O5 .2873 .9233 .0522 .016 .015 .011 .024 -.003 -.003 -.002
O6 .2055 .9221 .5519 .018 .024 .011 .019 .002 .003 -.003
OW7 .5266 .2834 .3104 .030 .022 .045 .023 -.006 .001 .003
OW8 .3456 .5153 -.1917 .031 .037 .032 .025 -.012 .005 -.008
H1 .363 .591 -.147 .050
H2 .581 .384 .340 .050
H3 .568 .374 .273 .050
H4 .224 .453 -.186 .050
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Metatorbernite
Calos N J, Kennard C H L
Zeitschrift fur Kristallographie 211 (1996) 701-702
Crystal structure of copper bis(uranyl phosphate) octahydrate (metatobernite),
Cu(UO2PO4)2*8(H2O)
Locality: Sonora, Mexico
_database_code_amcsd 0011066
6.950 6.950 8.638 90 90 90 *P4/nmm
.25 -.25 0
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cu .25 .25 -.390 .5 .010 .010 .06 0 0 0
U .25 .25 .1050 .004 .004 .027 0 0 0
P .25 .75 0 .014 .014 .008 0 0 0
O1 .25 .25 -.104 .02
O2 .25 .25 .315 .02
Wat3 .25 -.081 .108 .043
O4 .527 .25 -.388 .09
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