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Beraunite |
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Marzoni Fecia di Cossato Y, Orlandi P, Pasero M |
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The Canadian Mineralogist 27 (1989) 441-446 |
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Manganese-bearing beraunite from Mangualde, Portugal: mineral data |
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and structure refinement |
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Locality: Mangualde, Portugal |
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_database_code_amcsd 0005231 |
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20.760 5.154 19.248 90 93.55 90 C2/c |
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atom x y z occ Uiso |
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Fe1 0 0 0 .8 .0131 |
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Mn1 0 0 0 .2 .0131 |
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Mn2 .25 .25 0 .0093 |
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Fe3 .04363 .27055 .17228 .0110 |
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Fe4 .10754 .03252 .41240 .0107 |
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P1 .10480 .47752 .02599 .0081 |
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P2 .40746 .03940 .18244 .0092 |
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O1 .1772 .4856 .0154 .0126 |
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O2 .4273 .2454 .0185 .0119 |
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O3 .4242 .2402 .4996 .0154 |
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O4 .0925 .4392 .1020 .0189 |
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O5 .4794 .0458 .1684 .0141 |
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O6 .1017 .4779 .2410 .0157 |
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O7 .3788 .3087 .1655 .0124 |
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O8 .1299 .3414 .3643 .0134 |
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O9 .0076 .0464 .3965 .0168 |
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O10 .1912 .0172 .4622 .0145 |
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O11 0 .1035 .25 .0173 |
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O12 .3857 .4728 .3214 .0245 |
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O13 .2471 .0839 .0977 .0187 |
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O14 .2310 .3490 .2156 .0387 |
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H1 .009 .950 .388 .17 |
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H2 .191 .117 .476 .04 |
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H3 -.002 .978 .235 .5 .14 |
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H4 .127 .907 .154 .14 |
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H5 .113 .909 .215 .12 |
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H6 .289 .974 .111 .10 |
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H7 .241 .161 .126 .03 |
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H8 .252 .957 .276 .04 |
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H9 .191 .386 .218 .09 |
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
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Beraunite |
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Vrtiska L, Tvrdy J, Plasil J, Sejkora J, Skoda R, Chukanov N V, Massanek A, Filip J, Dolnícek Z, Veselovsky F |
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European Journal of Mineralogy 34 (2022) 223-238 |
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Redefinition of beraunite, Fe3+6(PO4)4O(OH)4*6H2O, and discreditation of the name |
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eleonorite: a re-investigation of type material from the Hrbek Mine (Czech Republic) |
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Locality: Hrbek mine, Czech Republic |
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_database_code_amcsd 0021074 |
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20.6507 5.1377 19.2152 90 93.523 90 Cc |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Fe1 .50074 .01427 .49595 .00731 .0057 .0065 .0099 .0008 .00182 -.0004 |
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Fe2_1 .60628 .03671 .41018 .0085 .0078 .0080 .0098 .0008 .0011 .0018 |
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Fe2_2 -.60762 -.02150 -.41345 .0062 .0050 .0063 .0075 .0001 .0014 .0006 |
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Fe3_1 .45976 .27275 .32992 .0071 .0087 .0072 .0054 .0003 .0014 .0005 |
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Fe3_2 -.45263 -.26043 -.32508 .0072 .0076 .0078 .0064 .0004 .0012 -.0001 |
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Fe4 .74997 .7646 .49850 .00877 .0071 .0083 .0108 -.0001 .00020 .0002 |
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P1_1 .39636 .4926 .47330 .0050 .0056 .0045 .0050 .0010 .0001 -.0003 |
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P1_2 -.39479 -.4653 -.47326 .0051 .0048 .0044 .0063 -.0004 .0011 -.0002 |
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P2_1 .59394 .5475 .31658 .0074 .0074 .0077 .0070 -.0002 -.0009 .0004 |
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P2_2 -.59073 -.5264 -.31860 .0061 .0074 .0064 .0043 -.0009 .0005 -.0012 |
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O1 .5043 .0973 .2527 .0104 .0179 .0088 .0048 .002 .0039 .0030 |
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O2_1 .5221 .5573 .3268 .0101 .006 .0094 .0146 -.0051 .0014 -.0016 |
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O2_2 -.5183 -.5293 -.3349 .0115 .011 .012 .0120 .0007 .0029 -.0027 |
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O3_1 .4282 .2639 .5164 .0076 .0049 .007 .0107 -.0001 .0020 .0036 |
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O3_2 -.4286 -.2487 -.5185 .0088 .011 .007 .0088 .0043 .0015 .0007 |
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O4_1 .3241 .5029 .4838 .0084 .005 .0090 .011 -.0017 -.0016 -.0006 |
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O4_2 -.3226 -.4728 -.4868 .0077 .008 .0026 .012 -.0005 .0031 .0007 |
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O5_1 .5099 .0751 .3994 .0096 .0064 .017 .0061 -.0019 .0024 .0049 |
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O5_2 -.5051 -.0215 -.3964 .0077 .0080 .0064 .0084 .0017 -.0008 -.0011 |
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O6_1 .6299 .3498 .3641 .0101 .009 .009 .0116 -.0029 -.0022 .0045 |
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O6_2 -.6294 -.3319 -.3656 .0109 .011 .008 .0135 .0019 .0006 .0054 |
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O7_1 .6232 .8151 .3336 .0093 .011 .0076 .0091 -.0037 .0007 -.0016 |
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O7_2 -.6188 -.7988 -.3347 .0109 .010 .010 .013 -.0021 .0035 .0004 |
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O8_1 .4263 .7521 .5019 .0071 .0062 .0023 .0132 -.0013 .0040 -.0017 |
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O8_2 -.4233 -.7311 -.4937 .0119 .008 .008 .020 .0003 .0006 .0006 |
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O9_1 .6905 .0285 .4613 .0094 .010 .0048 .013 .0005 .0002 .0021 |
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O9_2 -.6908 -.0065 -.4635 .0100 .007 .007 .015 .0014 -.0032 -.0002 |
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O10_1 .6050 .4840 .2398 .0121 .010 .017 .0092 -.0015 -.0024 -.0030 |
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O10_2 -.5998 -.4623 -.2427 .0109 .011 .018 .0031 -.0022 .0005 -.0015 |
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O11_1 .7466 .9248 .5977 .0162 .016 .018 .015 -.0024 .0015 -.0002 |
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O11_2 -.7467 -.9071 -.5982 .0138 .016 .016 .0088 -.0021 -.0009 -.0024 |
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O12_1 .4094 .4661 .3969 .0107 .011 .015 .0064 .0029 .0006 -.0031 |
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O12_2 -.4034 -.4110 -.3974 .0154 .019 .022 .0059 .0049 .0026 .0006 |
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O13_1 .3896 -.0275 .3227 .0181 .019 .014 .021 -.0024 -.0005 -.0037 |
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O13_2 -.3820 .0342 -.3212 .0184 .018 .014 .024 -.0061 .0058 -.0062 |
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O14_1 .7339 .6513 .7150 .0353 .017 .047 .043 .000 .005 .021 |
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O14_2 -.7288 -.6538 -.7166 .0331 .022 .043 .034 -.002 .002 .013 |
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H1o11_1 .7891 .986 .612 .0195 |
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H1o11_2 -.774 -.052 -.610 .0165 |
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H1o9_1 .694 .171 .493 .0112 |
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H1o9_2 -.696 -.182 -.478 .012 |
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H2o11_2 -.737 -.833 -.6417 .0165 |
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H1o14_1 .752 .497 .735 .0423 |
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H1o1 .5 -.075 .265 .0124 |
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H1o13_1 .399 -.181 .348 .0217 |
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H2o13_1 .377 -.065 .2756 .0217 |
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H1o5_2 -.507 .133 -.371 .0092 |
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H2o14_1 .6910 .657 .729 .0423 |
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H2o14_2 -.7605 -.523 -.723 .0397 |
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H1o13_2 -.3494 .052 -.353 .0221 |
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H2o11_1 .743 .758 .619 .0195 |
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H2o13_2 -.393 .203 -.307 .0221 |
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H1o14_2 -.6888 -.565 -.715 .0397 |
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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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Beraunite |
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Moore P B, Kampf A R |
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Zeitschrift fur Kristallographie 201 (1992) 263-281 |
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Beraunite: Refinement, comparative crystal chemistry, and selected bond valences |
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Locality: Campanian age marls of Mullica Hill, New Jersey, USA |
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_database_code_amcsd 0019158 |
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20.953 5.171 19.266 90 93.34 90 C2/c |
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atom x y z Biso |
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Fe(1) 0 0 0 .73 |
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Fe(2) .25 .25 0 .68 |
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Fe(3) .04430 .2847 .17278 .62 |
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Fe(4) .10813 .0389 .41529 .64 |
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O-OH(1) .0074 .0405 .3913 .78 |
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H-OH(1) .002 .89 .379 .8 |
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O-OH(2) .1926 .0219 .4620 1.06 |
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H-OH(2) .194 .10 .481 1.0 |
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H-OH(3) 0 -.10 .25 |
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O-OH(3) 0 .1142 .25 .90 |
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OW(1) .3841 .4915 .3192 1.89 |
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HW(1a) .386 .38 .313 1.8 |
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HW(1b) .379 .50 .291 |
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OW(2) .2472 .0857 .0988 1.38 |
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HW(2a) .243 .19 .134 1.3 |
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HW(2b) .286 .02 .108 1.3 |
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OW(3) .2318 .3639 .2165 3.10 |
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HW(3a) .206 .40 .211 2.9 |
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HW(3b) .230 .29 .225 |
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P(1) .10518 .4743 .02374 .51 |
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O(1) .1779 .4837 .0161 .74 |
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O(2) .4245 .2515 .0199 .76 |
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O(3) .4234 .2327 .5039 .82 |
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O(4) .0906 .4418 .1000 1.09 |
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P(2) .40726 .04656 .18157 .60 |
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O(5) .4788 .0525 .1667 .82 |
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O(6) .1004 .4930 .2404 .97 |
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O(7) .3783 .3136 .1638 .88 |
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O(8) .1294 .3431 .3626 .98 |
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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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