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Ferricopiapite |
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Fanfani L, Nunzi A, Zanazzi P F, Zanzari A R |
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American Mineralogist 58 (1973) 314-322 |
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The copiapite problem: The crystal structure of a ferrian copiapite |
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_database_code_amcsd 0000315 |
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7.390 18.213 7.290 93.67 102.05 99.27 P-1 |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Fe1 0 0 0 .69 .0158 .0032 .0166 .0012 .0038 .0006 |
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Fe2 .7848 .3135 .5524 .0090 .0025 .0102 .0007 .0008 .0005 |
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Fe3 .5990 .6718 .8058 .0091 .0026 .0097 .0009 .0011 .0004 |
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S1 .8325 .7398 .2195 .0072 .0024 .0068 .0009 .0009 .0006 |
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S2 .8170 .4175 .2188 .0076 .0020 .0086 .0006 .0021 .0009 |
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S3 .6402 .1927 .1953 .0090 .0019 .0079 .0011 .0007 .0003 |
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O1 .7367 .6750 .0714 .0141 .0021 .0099 .0006 -.0019 .0004 |
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O2 .6930 .7698 .2963 .0095 .0035 .0155 .0013 .0044 .0004 |
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O3 .0483 .2921 .6322 .0079 .0037 .0142 .0015 -.0006 .0014 |
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O4 .0527 .2022 .8547 .0149 .0029 .0154 .0003 .0014 .0012 |
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O5 .6201 .3910 .1085 .0095 .0033 .0052 .0000 .0021 .0001 |
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O6 .8296 .4886 .3208 .0102 .0018 .0150 .0015 .0013 .0016 |
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O7 .8774 .3626 .3474 .0085 .0026 .0084 .0014 .0011 .0014 |
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O8 .9350 .4228 .0842 .0083 .0033 .0095 .0013 .0030 .0009 |
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O9 .5655 .1159 .1687 .0261 .0027 .0094 .0023 -.0001 -.0002 |
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O10 .5099 .7637 .8635 .0086 .0029 .0100 .0012 -.0001 .0001 |
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O11 .7921 .2131 .0980 .0094 .0040 .0093 .0009 .0039 .0011 |
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O12 .7185 .2128 .4053 .0119 .0020 .0109 .0017 .0009 .0011 |
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OH13 .4626 .6604 .5454 .0083 .0030 .0118 .0017 .0003 .0016 |
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Wat14 .6859 .2699 .7673 .0112 .0028 .0091 -.0003 .0016 .0005 |
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Wat15 .8686 .4142 .7138 .0139 .0031 .0150 .0022 .0030 .0012 |
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Wat16 .2076 .9474 .0665 .0373 .0066 .0389 .0023 -.0009 -.0026 |
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Wat17 .6933 .5740 .7598 .0114 .0025 .0136 .0018 .0010 .0009 |
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Wat18 .0158 .9866 .7338 .0500 .0071 .0369 .0009 .0116 .0003 |
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Wat19 .8301 .7282 .7309 .0127 .0027 .0115 .0003 .0045 -.0006 |
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Wat20 .1713 .0926 .0473 .0302 .0053 .0507 .0012 -.0022 .0015 |
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Wat21 .7660 .9196 .4381 .0315 .0049 .0321 .0013 .0051 -.0016 |
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Wat22 .5280 .5608 .2767 .0139 .0028 .0144 .0022 .0072 .0000 |
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Wat23 .6356 .0743 .5949 .0524 .0061 .0430 .0040 .0086 .0043 |
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Montgomeryite |
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Fanfani L, Nunzi A, Zanazzi P F, Zanzari A R |
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American Mineralogist 61 (1976) 12-14 |
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Additional data on the crystal structure of montgomeryite |
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_database_code_amcsd 0000486 |
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10.004 24.083 6.235 90 91.60 90 C2/c |
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atom x y z occ Biso |
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Ca1 0 .06132 .25 .97 |
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Ca2 0 .33082 .25 .97 |
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Al1 .25 .25 0 .48 |
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Al2 0 .17177 -.25 .46 |
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P1 .5 .29949 -.25 .46 |
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P2 .25851 .11538 -.04081 .59 |
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Mg 0 .52867 -.25 .5 1.16 |
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O1 .61740 .26034 .70925 .88 |
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O2 .47001 .33638 .55580 1.26 |
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O3 .30933 .17528 .01354 .84 |
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O4 .37484 .08760 -.15171 .98 |
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O5 .13698 .11774 -.20051 .97 |
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O6 .21850 .08628 .16276 1.55 |
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OH .37062 .27169 .21882 .60 |
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Wat1 .16222 .32941 .53004 1.99 |
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Wat2 .11263 .02580 .58142 1.26 |
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Wat3a .11621 .46807 .61315 .5 2.70 |
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Wat3b .12130 .51881 .02617 .5 2.54 |
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Buttgenbachite |
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Fanfani L, Nunzi A, Zanazzi P F, Zanzari A R |
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Mineralogical Magazine 39 (1973) 264-270 |
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The crystal structure of buttgenbachite |
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Locality: Likasi, Congo |
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_database_code_amcsd 0014460 |
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15.750 15.750 9.161 90 90 120 P6_3/mmc |
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atom x y z occ Biso |
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Cu1 .5 0 0 .72 |
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Cu2 .2012 0 0 .87 |
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Cu3 .3352 .1676 .75 .82 |
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Cu4 .3589 .0166 .25 .97 |
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Cu5 0 0 0 .30 2.36 |
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Cl1 .2764 .1382 .25 1.14 |
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Cl2 2/3 1/3 .25 .35 3.69 |
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N 2/3 1/3 .0557 .65 4.66 |
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OH1 .4507 .3697 .0880 .88 |
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OH2 .0743 -.0743 .0961 1.21 |
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OH3 .6744 .7441 .1094 1.15 |
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OH4 .4454 .5546 .25 1.88 |
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Oa .7123 .2877 .0748 .47 2.73 |
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Ob .6227 .3773 .0335 .18 3.55 |
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Schairerite |
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Fanfani L, Nunzi A, Zanazzi P F, Zanzari A R, Sabelli C |
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Mineralogical Magazine 40 (1975) 131-139 |
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The crystal structure of schairerite and its relationship to sulphohalite |
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Locality: Searles Lake, California, USA |
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_database_code_amcsd 0014463 |
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12.197 12.197 19.259 90 90 120 P31m |
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atom x y z Biso |
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Na1 .5152 0 .5166 1.49 |
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Na1' .1591 .3340 .5147 1.25 |
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Na2 .8128 0 .3789 1.05 |
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Na2' .4788 .3318 .3846 1.31 |
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Na3 .1892 0 .9294 1.23 |
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Na3' .8470 .3359 .9339 1.22 |
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Na4 .1759 0 .6468 1.20 |
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Na4' .8448 .3337 .6527 1.25 |
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Na5 .8236 0 .0957 1.84 |
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Na5' .4783 .3312 .1034 1.77 |
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Na6 .4879 0 .7928 1.22 |
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Na6' .1515 .3345 .7941 .98 |
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Na7 .5180 0 .2357 1.50 |
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Na7' .1811 .3334 .2391 1.58 |
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S1 0 0 .2376 1.05 |
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S1' 2/3 1/3 .2532 1.00 |
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S2 0 0 .7782 .95 |
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S2' 2/3 1/3 .7950 .75 |
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S3 0 0 .5074 .9 |
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S3' 2/3 1/3 .5266 .72 |
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S4 .6699 0 .6659 .81 |
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S5 .6672 0 .9387 .90 |
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S6 .3366 0 .3673 .83 |
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S7 .3344 0 .0933 .62 |
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O1A 0 0 .1631 3.05 |
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O1B .8884 0 .2636 1.17 |
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O1A' 2/3 1/3 .3301 1.89 |
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O1B' .6683 .2201 .2318 1.98 |
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O2A 0 0 .7026 1.79 |
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O2B .1140 0 .8064 1.22 |
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O2A' 2/3 1/3 .8717 .75 |
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O2B' .5502 .2158 .7701 1.91 |
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O3A 0 0 .4317 1.15 |
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O3B .1130 0 .5320 1.13 |
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O3A' 2/3 1/3 .6043 1.16 |
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O3B' .6720 .2209 .5021 1.76 |
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O4A .6771 0 .7416 1.13 |
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O4B .5517 0 .6460 1.13 |
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O4C .7834 .1167 .6403 1.36 |
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O5A .6678 0 .0146 .98 |
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O5B .5527 0 .9142 1.26 |
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O5C .7808 .1154 .9133 1.14 |
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O6A .3384 0 .2897 1.32 |
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O6B .4475 0 .3971 1.52 |
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O6C .3356 .1125 .3934 1.51 |
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O7A .3358 0 .0167 1.66 |
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O7B .4461 0 .1203 1.85 |
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O7C .3342 .1123 .1204 1.83 |
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F1 .6858 0 .4658 1.37 |
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F2 .3396 0 .8636 .86 |
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F3 .3486 0 .5674 .98 |
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F4 .6620 0 .3131 1.45 |
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F5 .6753 0 .1666 1.14 |
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F6 .3262 0 .7175 .74 |
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Cl 0 0 0 .73 |
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Cl' 2/3 1/3 .0296 1.87 |
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Galeite |
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Fanfani L, Nunzi A, Zanazzi P F, Zanzari A R |
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Mineralogical Magazine 40 (1975) 357-361 |
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The crystal structure of galeite, Na15(SO4)5F4Cl |
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Locality: Searles Lake, California, USA |
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_database_code_amcsd 0014464 |
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12.197 12.197 13.955 90 90 120 P31m |
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atom x y z Biso |
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Na1 .5118 0 .7167 1.22 |
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Na1' .1588 .3342 .7141 1.22 |
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Na2 .8161 0 .5253 1.29 |
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Na2' .4852 .3326 .5310 1.29 |
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Na3 .1914 0 .8954 1.19 |
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Na3' .8465 .3357 .9072 1.19 |
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Na4 .8251 0 .1324 1.15 |
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Na4' .4782 .3300 .1414 1.15 |
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Na5 .5210 0 .3274 1.18 |
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Na5' .1799 .3322 .3312 1.18 |
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S1 0 0 .3243 .63 |
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S1' 2/3 1/3 .3440 .63 |
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S2 0 0 .6957 .55 |
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S2' 2/3 1/3 .7200 .55 |
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S3 .6700 0 .9216 .46 |
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S4 .3365 0 .5092 .51 |
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S5 .3339 0 .1311 .64 |
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O1A 0 0 .2243 1.70 |
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O1B .8848 0 .3651 1.42 |
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O1A' 2/3 1/3 .4441 1.70 |
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O1B' .6704 .2209 .3098 1.42 |
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O2A 0 0 .5887 .70 |
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O2B .1142 0 .7345 1.47 |
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O2A' 2/3 1/3 .8270 .70 |
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O2B' .6677 .2202 .6872 1.47 |
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O3A .6693 0 .0231 .33 |
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O3B .5536 0 .8853 .62 |
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O3C .7814 .1146 .8786 1.07 |
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O4A .3476 0 .3967 1.67 |
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O4B .4506 0 .5484 1.31 |
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O4C .8843 .2179 .5412 1.78 |
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O5A .3393 0 .0225 3.04 |
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O5B .4487 0 .1561 1.23 |
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O5C .3341 .1141 .1599 1.64 |
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F1 .6795 0 .6394 .84 |
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F2 .6754 0 .2389 .70 |
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F3 .6592 0 .4316 1.59 |
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F4 .3494 0 .7962 2.37 |
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Cl 0 0 0 1.11 |
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Cl' 2/3 1/3 .0447 1.11 |
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|
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Zanazziite |
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Fanfani L, Nunzi A, Zananni P F, Zanzari A R |
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Tschermaks Mineralogische und Petrographische Mitteilungen 22 (1975) 266-277 |
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The crystal structure of roscherite |
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Locality: Lavra da Ilha, Taquaral, Minas Gerais, Brazil |
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_database_code_amcsd 0015658 |
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15.874 11.854 6.605 90 95.43 90 C2/c |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ca 0 .2599 .25 .00069 .00387 .01037 0 .00145 0 |
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Mg .1714 .1630 -.0043 .7 .00054 .00311 .00802 -.00013 .00075 -.00035 |
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Fe .1714 .1630 -.0043 .3 .00054 .00311 .00802 -.00013 .00075 -.00035 |
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Al 0 0 0 .67 .00064 .00445 .01439 .00200 .00129 -.00402 |
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Be .3322 .1772 .3024 .00061 .00348 .00863 -.00013 .00127 -.00042 |
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P1 .1874 .1166 .4777 .00043 .00272 .00694 -.00011 .00083 -.00019 |
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P2 0 .2727 .75 .00045 .00320 .00699 0 .00051 0 |
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O1 .1431 .0023 .5012 .00143 .00328 .00982 -.00064 .00079 .00002 |
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O2 .2816 .0989 .4508 .00064 .00384 .01033 .00016 .00142 .00600 |
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O3 .1442 .1824 .2973 .00068 .00349 .00882 -.00011 .00038 .00034 |
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O4 .1805 .1849 .6754 .00094 .00335 .00859 .00016 .00087 -.00066 |
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O5 .0410 .2006 .9233 .00124 .00431 .00812 .00072 .00052 .00042 |
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O6 .0661 .3496 .6600 .00059 .00393 .01397 .00006 .00148 .00024 |
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OH7 .2999 .1636 .0644 .00074 .00342 .00780 .00001 .00079 -.00062 |
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OH8 0 .0428 .75 .00071 .00435 .04580 0 -.00003 0 |
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Wat9 .0935 .4205 .2200 .00122 .00373 .01244 .00008 .00089 .00006 |
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|
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Roscherite |
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Fanfani L, Zanazzi P F, Zanzari A R |
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Tschermaks Mineralogische und Petrographische Mitteilungen 24 (1977) 169-178 |
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The crystal structure of a triclinic roscherite |
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Note: B(3,3) changed from .00848 to .00488 to match reported Biso |
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Locality: Foote Mine, North Carolina, USA |
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_database_code_amcsd 0015664 |
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15.921 11.965 6.741 91.07 94.35 89.99 C-1 |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Fe3+ 0 0 .5 .42 1.51 .00087 .00473 .00561 .00040 .00100 .00262 |
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Al3+ 0 0 .5 .13 1.51 .00087 .00473 .00561 .00040 .00100 .00262 |
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Mn3+ 0 0 .5 .12 1.51 .00087 .00473 .00561 .00040 .00100 .00262 |
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Ca .0010 .2611 .2459 .96 .00085 .00211 .00488 .00025 .00107 -.00013 |
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Mn2+A .1704 .1620 -.0078 .98 .82 .00060 .00205 .00394 .00012 .00055 .00013 |
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Ca2+A .1704 .1620 -.0078 .01 .82 .00060 .00205 .00394 .00012 .00055 .00013 |
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Mg2+A .1704 .1620 -.0078 .01 .82 .00060 .00205 .00394 .00012 .00055 .00013 |
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Mn2+B .1706 -.1586 .4986 .98 .87 .00086 .00193 .00364 .00035 .00066 -.00027 |
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Ca2+B .1706 -.1586 .4986 .01 .87 .00086 .00193 .00364 .00035 .00066 -.00027 |
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Mg2+B .1706 -.1586 .4986 .01 .87 .00086 .00193 .00364 .00035 .00066 -.00027 |
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BeA .3305 .1727 .2965 .86 .00109 .00137 .00417 .00033 .00110 -.00079 |
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BeB .3332 -.1762 -.2009 .85 .00036 .00246 .00441 .00021 .00018 .00131 |
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P1A .1852 .1205 .4752 .80 .00068 .00190 .00363 .00017 .00086 -.00033 |
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P1B .1861 -.1207 -.0182 .77 .00078 .00161 .00384 .00018 .00071 -.00010 |
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P2 .0022 .2761 .7477 .77 .00063 .00193 .00336 .00015 .00077 -.00044 |
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O1A .1378 .0106 .5043 1.07 .00086 .00190 .00705 -.00018 .00057 -.00040 |
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O1B .1412 -.0073 .0100 1.16 .00157 .00171 .00545 .00049 .00129 -.00063 |
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O2A .2782 .0960 .4382 .96 .00075 .00221 .00524 .00044 .00122 .00113 |
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O2B .2798 -.1012 -.0476 1.00 .00091 .00172 .00617 .00007 .00092 -.00119 |
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O3A .1410 .1859 .3046 1.10 .00091 .00284 .00437 .00034 .00077 -.00044 |
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O3B .1417 -.1871 -.1942 1.05 .00090 .00218 .00549 -.00023 .00050 -.00161 |
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O4A .1833 .1922 .6713 .99 .00091 .00270 .00310 -.00001 .00090 -.00048 |
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O4B .1795 -.1887 .1754 1.09 .00134 .00286 .00216 .00017 .00162 .00009 |
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O5A .0406 .2093 .9195 1.19 .00107 .00290 .00462 .00042 .00062 -.00058 |
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O5B .0332 -.1982 .4286 1.19 .00128 .00294 .00314 .00002 .00001 -.00115 |
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O6A .0685 .3520 .6609 .94 .00080 .00270 .00313 .00026 .00125 .00095 |
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O6B .0670 -.3517 .1728 1.26 .00068 .00292 .00822 -.00009 .00124 -.00098 |
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OHA .3011 .1587 .0647 .94 .00080 .00214 .00425 .00005 .00008 -.00073 |
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OHB .3020 -.1619 -.4307 1.04 .00094 .00271 .00355 .00029 .00049 .00017 |
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Wat1 .0003 .0446 .2157 1.40 .00119 .00296 .00747 .00024 .00112 .00094 |
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Wat2A .0944 .4209 .2354 1.61 .00187 .00293 .00729 .00004 .00109 -.00060 |
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Wat2B .0944 -.4194 -.2768 1.57 .00142 .00272 .00981 .00054 .00128 -.00065 |
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|
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Strunzite |
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Fanfani L, Tomassini M, Zanazzi P F, Zanzari A R |
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Tschermaks Mineralogische und Petrographische Mitteilungen 25 (1978) 77-87 |
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The crystal structure of strunzite, a contribution to the |
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crystal chemistry of basic ferric-manganous hydrated phosphates |
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Locality: Big Chief mine, Glendale, South Dakota |
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_database_code_amcsd 0015670 |
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10.228 9.837 7.284 90.17 98.44 117.44 P-1 |
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atom x y z Biso |
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Mn .5037 .3338 .2445 .93 |
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Fe1 -.0307 .2435 .1373 .98 |
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Fe2 .0260 -.2290 .3630 1.04 |
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P1 -.1864 .4664 .0607 .83 |
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P2 .1917 .1531 .4342 .67 |
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O1 -.3481 .4256 .0667 2.5 |
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O2 -.1758 .3191 .0312 1.5 |
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O3 -.0853 -.4445 .2458 1.1 |
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O4 -.1407 -.4316 -.1044 1.5 |
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O5 .1000 .1508 .2454 1.1 |
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O6 .1508 -.0133 .4783 1.2 |
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O7 .3549 .2430 .4251 2.1 |
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O8 .1606 .2289 .5945 1.2 |
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OH1 -.0408 .3084 .3926 1.1 |
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OH2 .0347 -.1524 .1115 1.4 |
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Wat1 .3138 .2511 .0097 1.4 |
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Wat2 .3122 -.4351 .5171 1.8 |
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Wat3 .4893 -.4520 .2580 1.9 |
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Wat4 -.4763 .1230 .1925 5.3 |
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Wat5 .2289 -.2306 .3338 1.4 |
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Wat6 -.2241 .0387 .1677 1.4 |
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|
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|
| |
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