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Medenbachite |
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Krause W, Bernhardt H J, Gebert W, Graetsch H, Belendorff K, Petitjean K |
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American Mineralogist 81 (1996) 505-512 |
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Medenbachite, Bi2Fe(Cu,Fe)(O,OH)2(OH)2(AsO4)2, a new mineral species: Its |
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description and crystal structure |
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Sample: 8.0.376, single Bi atom model |
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_database_code_amcsd 0001790 |
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4.581 6.178 8.969 94.29 99.93 94.85 P-1 |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Bi .2077 .3114 .3917 .0815 .0287 .0275 .0213 -.0152 .0023 |
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Fe1 0 0 0 .0197 .0205 .0297 .0009 .0019 .0095 |
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Cu2 0 .5 0 .88 .0202 .0179 .0262 .0008 .0012 .0102 |
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Fe2 0 .5 0 .12 .0202 .0179 .0262 .0008 .0012 .0102 |
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As .5411 .7998 .2178 .0205 .0209 .0254 .0006 .0006 .0096 |
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O1 .314 .565 .198 .0217 .020 .031 -.004 .002 .012 |
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O2 .145 .742 .899 .009 .028 .034 -.005 -.003 .013 |
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O3 .338 .012 .182 .025 .020 .037 .002 -.008 .004 |
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O4 .245 .224 .916 .019 .021 .031 .002 .010 .004 |
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O5 .277 .617 .541 .018 .032 .045 -.001 -.002 -.008 |
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O6 .246 .139 .611 .033 .039 .025 .001 -.006 .009 |
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Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
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Medenbachite |
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Krause W, Bernhardt H J, Gebert W, Graetsch H, Belendorff K, Petitjean K |
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American Mineralogist 81 (1996) 505-512 |
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Medenbachite, Bi2Fe(Cu,Fe)(O,OH)2(OH)2(AsO4)2, a new mineral species: Its |
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description and crystal structure |
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Sample: 8.0.376, split Bi atom model |
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_database_code_amcsd 0001791 |
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4.581 6.178 8.969 94.29 99.93 94.85 P-1 |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Bi1 .1589 .2996 .3953 .5 .0221 .0249 .0257 .0028 -.0060 .0044 |
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Bi2 .2541 .3223 .3883 .5 .0190 .0208 .0274 .0006 -.0054 .0063 |
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Fe1 0 0 0 .0197 .0205 .0297 .0009 .0019 .0095 |
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Cu2 0 .5 0 .88 .0202 .0179 .0262 .0008 .0012 .0102 |
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Fe2 0 .5 0 .12 .0202 .0179 .0262 .0008 .0012 .0102 |
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As .5411 .7998 .2178 .0205 .0209 .0254 .0006 .0006 .0096 |
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O1 .314 .565 .198 .0217 .020 .031 -.004 .002 .012 |
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O2 .145 .742 .899 .009 .028 .034 -.005 -.003 .013 |
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O3 .338 .012 .182 .025 .020 .037 .002 -.008 .004 |
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O4 .245 .224 .916 .019 .021 .031 .002 .010 .004 |
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O5 .277 .617 .541 .018 .032 .045 -.001 -.002 -.008 |
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O6 .246 .139 .611 .033 .039 .025 .001 -.006 .009 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
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Medenbachite |
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Krause W, Bernhardt H J, McCammon C A, Effenberger H |
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American Mineralogist 87 (2002) 726-738 |
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Neustadtelite and cobaltneustadtelite, the Fe- and Co- analogues of medenbachite |
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_database_code_amcsd 0002817 |
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9.162 6.178 9.341 83.50 71.04 85.15 P-1 |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Bi12 .09222 .3115 .6089 .0308 .0160 .0117 -.0015 -.0066 -.0016 |
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Bi1 .6361 .2892 .5986 .5 .050 .048 .032 -.008 -.011 .002 |
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Bi2 .5520 .3308 .6168 .5 .053 .039 .029 -.003 -.011 -.005 |
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FeM1 0 0 0 .024 .027 .021 .000 -.008 -.002 |
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CuM2 0 .5 0 .027 .022 .025 .004 -.010 -.006 |
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As .1610 .1995 .2180 .0302 .0265 .0204 .0011 -.0094 -.0035 |
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O1 .0600 .436 .1982 .016 .029 .033 -.001 -.010 -.005 |
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OH2 .1244 .254 .9000 .026 .037 .021 -.003 -.013 -.006 |
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O3 .0765 -.012 .1844 .036 .022 .035 .008 -.023 -.008 |
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O4 .3365 .230 .0830 .047 .036 .016 .020 -.008 -.013 |
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OH5 .1322 .618 .4591 .5 .033 .037 .040 -.006 -.021 .001 |
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O5 .1322 .618 .4591 .5 .033 .037 .040 -.006 -.021 .001 |
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O6 .1830 .142 .3904 .031 .044 .017 .003 -.005 -.004 |
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FeM1* .5 0 0 .024 .027 .021 .000 -.008 -.002 |
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CuM2* .5 .5 0 .027 .022 .025 .004 -.010 -.006 |
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As* .6610 .1995 .2180 .0302 .0265 .0204 .0011 -.0094 -.0035 |
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O1* .5600 .436 .1982 .016 .029 .033 -.001 -.010 -.005 |
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OH2* .6244 .254 .9000 .026 .037 .021 -.003 -.013 -.006 |
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O3* .5765 -.012 .1844 .036 .022 .035 .008 -.023 -.008 |
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O4* .8365 .230 .0830 .047 .036 .016 .020 -.008 -.013 |
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OH5* .6322 .618 .4591 .5 .033 .037 .040 -.006 -.021 .001 |
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O5* .6322 .618 .4591 .5 .033 .037 .040 -.006 -.021 .001 |
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O6* .6830 .142 .3904 .031 .044 .017 .003 -.005 -.004 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
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