|
Romerite |
 |
Fanfani L, Nunzi A, Zanazzi P F |
 |
American Mineralogist 55 (1970) 78-89 |
|
The crystal structure of roemerite |
|
_database_code_amcsd 0000195 |
|
6.463 15.309 6.341 90.53 101.08 85.73 P-1 |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Fe1 0 0 0 .01149 .00228 .01122 .00039 .00195 -.00044 |
|
Fe2 .33850 .32040 .59415 .00569 .00159 .00739 -.00029 .00109 -.00032 |
|
S1 .59285 .16794 .36415 .00801 .00195 .00938 .00002 .00156 -.00049 |
|
S2 .75980 .38682 .90730 .00610 .00175 .00894 -.00013 .00117 -.00034 |
|
O1 .43090 .20817 .48397 .01449 .00258 .01816 .00020 .00669 -.00159 |
|
O2 .58301 .21947 .16464 .01747 .00433 .01460 .00125 .00317 .00305 |
|
O3 .80677 .16991 .49380 .00897 .00316 .01684 -.00031 -.00026 .00187 |
|
O4 .53956 .07819 .32383 .01480 .00303 .03153 -.00123 .00593 -.00421 |
|
O5 .62142 .33029 .75584 .01099 .00353 .01896 -.00055 -.00141 -.00182 |
|
O6 .64356 .42242 .06814 .01530 .00260 .01795 .00006 .00741 -.00103 |
|
O7 .82510 .45660 .78307 .01440 .00272 .02191 .00017 .00738 .00206 |
|
O8 .94487 .33021 .00778 .00972 .00329 .01240 .00084 .00177 .00094 |
|
OW1 .25089 .04938 -.12957 .02611 .00352 .03803 -.00260 .01871 -.00484 |
|
OW2 .11209 .04923 .31091 .01533 .00507 .02070 -.00038 .00127 -.00401 |
|
OW3 .17529 -.11732 .09135 .04033 .00439 .01428 .00749 .00947 .00179 |
|
OW4 .25760 .25577 .84407 .01071 .00335 .01089 -.00005 .00220 .00055 |
|
OW5 .03495 .30719 .44316 .00954 .00318 .01019 -.00122 .00009 -.00020 |
|
OW6 .21791 .43565 .69570 .01343 .00230 .02071 -.00061 .00652 .00247 |
|
OW7 .37811 .38822 .33431 .01445 .00248 .01668 .00055 .00850 .00157 |
|
H1 .337 .018 -.175 |
|
H2 .276 .117 -.134 |
|
H3 .233 .063 .350 |
|
H4 .065 .095 .358 |
|
H5 .170 -.141 .205 |
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H6 .225 -.147 .014 |
|
H7 .343 .231 .935 |
|
H8 .160 .277 .908 |
|
H9 -.040 .259 .440 |
|
H10 .011 .302 .311 |
|
H11 .300 .477 .789 |
|
H12 .055 .431 .709 |
|
H13 .337 .440 .315 |
|
H14 .460 .389 .237 |
|
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| |
|
Butlerite |
|
Fanfani L, Nunzi A, Zanazzi P F |
|
American Mineralogist 56 (1971) 751-757 |
|
The crystal structure of butlerite |
|
_database_code_amcsd 0000232 |
|
6.50 7.37 5.84 90 108.38 90 P2_1/m |
|
atom x y z Biso |
|
Fe 0 0 0 .95 |
|
S .3809 .25 .3530 1.12 |
|
O1 .2476 .0885 .2697 1.63 |
|
O2 .4559 .25 .6098 1.71 |
|
O3 .5587 .25 .2630 3.53 |
|
OH4 .1023 .75 .0886 1.51 |
|
OH5 .1844 .0133 .7647 2.95 |
|
|
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|
| |
|
Ferricopiapite |
|
Fanfani L, Nunzi A, Zanazzi P F, Zanzari A R |
|
American Mineralogist 58 (1973) 314-322 |
|
The copiapite problem: The crystal structure of a ferrian copiapite |
|
_database_code_amcsd 0000315 |
|
7.390 18.213 7.290 93.67 102.05 99.27 P-1 |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Fe1 0 0 0 .69 .0158 .0032 .0166 .0012 .0038 .0006 |
|
Fe2 .7848 .3135 .5524 .0090 .0025 .0102 .0007 .0008 .0005 |
|
Fe3 .5990 .6718 .8058 .0091 .0026 .0097 .0009 .0011 .0004 |
|
S1 .8325 .7398 .2195 .0072 .0024 .0068 .0009 .0009 .0006 |
|
S2 .8170 .4175 .2188 .0076 .0020 .0086 .0006 .0021 .0009 |
|
S3 .6402 .1927 .1953 .0090 .0019 .0079 .0011 .0007 .0003 |
|
O1 .7367 .6750 .0714 .0141 .0021 .0099 .0006 -.0019 .0004 |
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O2 .6930 .7698 .2963 .0095 .0035 .0155 .0013 .0044 .0004 |
|
O3 .0483 .2921 .6322 .0079 .0037 .0142 .0015 -.0006 .0014 |
|
O4 .0527 .2022 .8547 .0149 .0029 .0154 .0003 .0014 .0012 |
|
O5 .6201 .3910 .1085 .0095 .0033 .0052 .0000 .0021 .0001 |
|
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 |
|
O11 .7921 .2131 .0980 .0094 .0040 .0093 .0009 .0039 .0011 |
|
O12 .7185 .2128 .4053 .0119 .0020 .0109 .0017 .0009 .0011 |
|
OH13 .4626 .6604 .5454 .0083 .0030 .0118 .0017 .0003 .0016 |
|
Wat14 .6859 .2699 .7673 .0112 .0028 .0091 -.0003 .0016 .0005 |
|
Wat15 .8686 .4142 .7138 .0139 .0031 .0150 .0022 .0030 .0012 |
|
Wat16 .2076 .9474 .0665 .0373 .0066 .0389 .0023 -.0009 -.0026 |
|
Wat17 .6933 .5740 .7598 .0114 .0025 .0136 .0018 .0010 .0009 |
|
Wat18 .0158 .9866 .7338 .0500 .0071 .0369 .0009 .0116 .0003 |
|
Wat19 .8301 .7282 .7309 .0127 .0027 .0115 .0003 .0045 -.0006 |
|
Wat20 .1713 .0926 .0473 .0302 .0053 .0507 .0012 -.0022 .0015 |
|
Wat21 .7660 .9196 .4381 .0315 .0049 .0321 .0013 .0051 -.0016 |
|
Wat22 .5280 .5608 .2767 .0139 .0028 .0144 .0022 .0072 .0000 |
|
Wat23 .6356 .0743 .5949 .0524 .0061 .0430 .0040 .0086 .0043 |
|
|
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|
| |
|
Montgomeryite |
|
Fanfani L, Nunzi A, Zanazzi P F, Zanzari A R |
|
American Mineralogist 61 (1976) 12-14 |
|
Additional data on the crystal structure of montgomeryite |
|
_database_code_amcsd 0000486 |
|
10.004 24.083 6.235 90 91.60 90 C2/c |
|
atom x y z occ Biso |
|
Ca1 0 .06132 .25 .97 |
|
Ca2 0 .33082 .25 .97 |
|
Al1 .25 .25 0 .48 |
|
Al2 0 .17177 -.25 .46 |
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P1 .5 .29949 -.25 .46 |
|
P2 .25851 .11538 -.04081 .59 |
|
Mg 0 .52867 -.25 .5 1.16 |
|
O1 .61740 .26034 .70925 .88 |
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O2 .47001 .33638 .55580 1.26 |
|
O3 .30933 .17528 .01354 .84 |
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O4 .37484 .08760 -.15171 .98 |
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O5 .13698 .11774 -.20051 .97 |
|
O6 .21850 .08628 .16276 1.55 |
|
OH .37062 .27169 .21882 .60 |
|
Wat1 .16222 .32941 .53004 1.99 |
|
Wat2 .11263 .02580 .58142 1.26 |
|
Wat3a .11621 .46807 .61315 .5 2.70 |
|
Wat3b .12130 .51881 .02617 .5 2.54 |
|
|
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|
| |
|
Fairfieldite |
|
Fanfani L, Nunzi A, Zanazzi P F |
 |
Acta Crystallographica B26 (1970) 640-645 |
|
The crystal structure of fairfieldite |
|
Locality: Foote Mine, North Carolina, USA |
|
_database_code_amcsd 0009374 |
|
5.79 6.57 5.51 102.27 108.67 90.30 P-1 |
|
atom x y z Biso |
|
Ca .6020 .2337 .3332 .22 |
|
Mn 0 0 0 .32 |
|
P .2463 .2325 .6472 .12 |
|
O1 .0031 .3264 .6157 .48 |
|
O2 .4552 .3995 .6940 .41 |
|
O3 .2461 .0699 .3965 .45 |
|
O4 .3058 .1177 .8785 .43 |
|
Wat5 -.1543 .3004 .0663 .58 |
|
|
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|
| |
|
Wardite |
|
Fanfani L, Nunzi A, Zanazzi P F |
|
Mineralogical Magazine 37 (1970) 598-605 |
|
The crystal structure of wardite |
|
Locality: Fairfield, Utah, USA |
|
_database_code_amcsd 0014451 |
|
7.03 7.03 19.04 90 90 90 P4_12_12 |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
P .1427 .3659 .3488 .88 0.0048 0.0041 0.0006 0.0003 -0.0002 0.0001 |
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Al(1) .3984 .1057 .2581 .85 0.0050 0.0035 0.0006 0.0002 0.0003 0.0003 |
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Al(2) .1029 .1029 0 1.20 0.0073 0.0073 0.0005 -0.0004 -0.0002 0.0002 |
|
Na .3733 .3733 .5 2.22 0.0139 0.0139 0.0008 0.0019 0.0007 -0.0007 |
|
O(1) -.0317 .4279 .3091 1.85 0.0034 0.0151 0.0013 0.0013 -0.0004 0.0001 |
|
O(2) .2960 .5112 .3378 1.64 0.0110 0.0131 0.0001 -0.0009 0.0007 -0.0006 |
|
O(3) .2031 .1771 .3216 2.00 0.0122 0.0108 0.0010 -0.0025 0.0004 -0.0002 |
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O(4) .0994 .3532 .4274 1.56 0.0136 0.0072 0.0004 0.0057 0.0009 0.0006 |
|
OH(5) .1326 .3537 -.0394 1.64 0.0078 0.0113 0.0008 -0.0002 -0.0002 0.0001 |
|
Wat(6) .1883 .0294 .1915 2.27 0.0156 0.0146 0.0006 -0.0017 -0.0005 -0.0006 |
|
OH(7) .4083 .3489 .2173 1.58 0.0089 0.0099 0.0007 -0.0042 0.0002 -0.0005 |
|
|
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|
| |
|
Dundasite |
|
Cocco G, Fanfani L, Nunzi A, Zanazzi P F |
|
Mineralogical Magazine 38 (1972) 564-569 |
|
The crystal structure of dundasite |
|
Locality: Gonnesa, Sardinia, Italy |
|
_database_code_amcsd 0014455 |
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9.08 16.37 5.62 90 90 90 Pbnm |
|
atom x y z Biso |
|
Pb .5131 .4117 .75 2.4 |
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Al .3338 .1998 .998 2.3 |
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C1 .4172 .3506 .25 2.50 |
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C2 .7599 .4502 .25 2.80 |
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O1 .4027 .3097 .0521 2.7 |
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O2 .4599 .4224 .25 2.1 |
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O3 .7737 .4112 .0506 2.5 |
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O4 .7399 .5242 .25 2.8 |
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OH1 .1969 .2076 .25 1.9 |
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OH2 .4705 .1856 .75 1.9 |
|
OH3 .4619 .1668 .25 2.4 |
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OH4 .2182 .2375 .75 2.4 |
|
Wat .1085 .4576 .25 3.90 |
|
|
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|
| |
|
Spencerite |
|
Fanfani L, Nunzi A, Zanazzi P F |
|
Mineralogical Magazine 38 (1972) 687-692 |
|
Structure and twinning in spencerite |
|
Locality: Salmo, British Columbia, Canada |
|
_database_code_amcsd 0014456 |
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10.448 5.282 11.208 90 116.73 90 P2/c |
|
atom x y z Biso |
|
Zn1 0 0 0 1.75 |
|
Zn2 0 .0226 .25 1.46 |
|
Zn3 .2863 .7028 .4906 1.29 |
|
P .1712 .5097 .1936 .16 |
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O1 .0775 .2680 .1566 .69 |
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O2 .0746 .7469 .1641 1.00 |
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O3 .2805 .5027 .3375 1.28 |
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O4 .2538 .5257 .1111 .89 |
|
OH .1691 .0027 .4414 1.11 |
|
Wat1 .4967 .7873 .5873 1.42 |
|
Wat2 .5 .8153 .25 .70 |
|
|
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|
| |
|
Buttgenbachite |
|
Fanfani L, Nunzi A, Zanazzi P F, Zanzari A R |
|
Mineralogical Magazine 39 (1973) 264-270 |
|
The crystal structure of buttgenbachite |
|
Locality: Likasi, Congo |
|
_database_code_amcsd 0014460 |
|
15.750 15.750 9.161 90 90 120 P6_3/mmc |
|
atom x y z occ Biso |
|
Cu1 .5 0 0 .72 |
|
Cu2 .2012 0 0 .87 |
|
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 |
|
Cl1 .2764 .1382 .25 1.14 |
|
Cl2 2/3 1/3 .25 .35 3.69 |
|
N 2/3 1/3 .0557 .65 4.66 |
|
OH1 .4507 .3697 .0880 .88 |
|
OH2 .0743 -.0743 .0961 1.21 |
|
OH3 .6744 .7441 .1094 1.15 |
|
OH4 .4454 .5546 .25 1.88 |
|
Oa .7123 .2877 .0748 .47 2.73 |
|
Ob .6227 .3773 .0335 .18 3.55 |
|
|
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|
| |
|
Schairerite |
|
Fanfani L, Nunzi A, Zanazzi P F, Zanzari A R, Sabelli C |
|
Mineralogical Magazine 40 (1975) 131-139 |
|
The crystal structure of schairerite and its relationship to sulphohalite |
|
Locality: Searles Lake, California, USA |
|
_database_code_amcsd 0014463 |
|
12.197 12.197 19.259 90 90 120 P31m |
|
atom x y z Biso |
|
Na1 .5152 0 .5166 1.49 |
|
Na1' .1591 .3340 .5147 1.25 |
|
Na2 .8128 0 .3789 1.05 |
|
Na2' .4788 .3318 .3846 1.31 |
|
Na3 .1892 0 .9294 1.23 |
|
Na3' .8470 .3359 .9339 1.22 |
|
Na4 .1759 0 .6468 1.20 |
|
Na4' .8448 .3337 .6527 1.25 |
|
Na5 .8236 0 .0957 1.84 |
|
Na5' .4783 .3312 .1034 1.77 |
|
Na6 .4879 0 .7928 1.22 |
|
Na6' .1515 .3345 .7941 .98 |
|
Na7 .5180 0 .2357 1.50 |
|
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 |
|
S4 .6699 0 .6659 .81 |
|
S5 .6672 0 .9387 .90 |
|
S6 .3366 0 .3673 .83 |
|
S7 .3344 0 .0933 .62 |
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O1A 0 0 .1631 3.05 |
|
O1B .8884 0 .2636 1.17 |
|
O1A' 2/3 1/3 .3301 1.89 |
|
O1B' .6683 .2201 .2318 1.98 |
|
O2A 0 0 .7026 1.79 |
|
O2B .1140 0 .8064 1.22 |
|
O2A' 2/3 1/3 .8717 .75 |
|
O2B' .5502 .2158 .7701 1.91 |
|
O3A 0 0 .4317 1.15 |
|
O3B .1130 0 .5320 1.13 |
|
O3A' 2/3 1/3 .6043 1.16 |
|
O3B' .6720 .2209 .5021 1.76 |
|
O4A .6771 0 .7416 1.13 |
|
O4B .5517 0 .6460 1.13 |
|
O4C .7834 .1167 .6403 1.36 |
|
O5A .6678 0 .0146 .98 |
|
O5B .5527 0 .9142 1.26 |
|
O5C .7808 .1154 .9133 1.14 |
|
O6A .3384 0 .2897 1.32 |
|
O6B .4475 0 .3971 1.52 |
|
O6C .3356 .1125 .3934 1.51 |
|
O7A .3358 0 .0167 1.66 |
|
O7B .4461 0 .1203 1.85 |
|
O7C .3342 .1123 .1204 1.83 |
|
F1 .6858 0 .4658 1.37 |
|
F2 .3396 0 .8636 .86 |
|
F3 .3486 0 .5674 .98 |
|
F4 .6620 0 .3131 1.45 |
|
F5 .6753 0 .1666 1.14 |
|
F6 .3262 0 .7175 .74 |
|
Cl 0 0 0 .73 |
|
Cl' 2/3 1/3 .0296 1.87 |
|
|
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|
| |
|
Galeite |
|
Fanfani L, Nunzi A, Zanazzi P F, Zanzari A R |
|
Mineralogical Magazine 40 (1975) 357-361 |
|
The crystal structure of galeite, Na15(SO4)5F4Cl |
|
Locality: Searles Lake, California, USA |
|
_database_code_amcsd 0014464 |
|
12.197 12.197 13.955 90 90 120 P31m |
|
atom x y z Biso |
|
Na1 .5118 0 .7167 1.22 |
|
Na1' .1588 .3342 .7141 1.22 |
|
Na2 .8161 0 .5253 1.29 |
|
Na2' .4852 .3326 .5310 1.29 |
|
Na3 .1914 0 .8954 1.19 |
|
Na3' .8465 .3357 .9072 1.19 |
|
Na4 .8251 0 .1324 1.15 |
|
Na4' .4782 .3300 .1414 1.15 |
|
Na5 .5210 0 .3274 1.18 |
|
Na5' .1799 .3322 .3312 1.18 |
|
S1 0 0 .3243 .63 |
|
S1' 2/3 1/3 .3440 .63 |
|
S2 0 0 .6957 .55 |
|
S2' 2/3 1/3 .7200 .55 |
|
S3 .6700 0 .9216 .46 |
|
S4 .3365 0 .5092 .51 |
|
S5 .3339 0 .1311 .64 |
|
O1A 0 0 .2243 1.70 |
|
O1B .8848 0 .3651 1.42 |
|
O1A' 2/3 1/3 .4441 1.70 |
|
O1B' .6704 .2209 .3098 1.42 |
|
O2A 0 0 .5887 .70 |
|
O2B .1142 0 .7345 1.47 |
|
O2A' 2/3 1/3 .8270 .70 |
|
O2B' .6677 .2202 .6872 1.47 |
|
O3A .6693 0 .0231 .33 |
|
O3B .5536 0 .8853 .62 |
|
O3C .7814 .1146 .8786 1.07 |
|
O4A .3476 0 .3967 1.67 |
|
O4B .4506 0 .5484 1.31 |
|
O4C .8843 .2179 .5412 1.78 |
|
O5A .3393 0 .0225 3.04 |
|
O5B .4487 0 .1561 1.23 |
|
O5C .3341 .1141 .1599 1.64 |
|
F1 .6795 0 .6394 .84 |
|
F2 .6754 0 .2389 .70 |
|
F3 .6592 0 .4316 1.59 |
|
F4 .3494 0 .7962 2.37 |
|
Cl 0 0 0 1.11 |
|
Cl' 2/3 1/3 .0447 1.11 |
|
|
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|
| |
|
Zanazziite |
|
Fanfani L, Nunzi A, Zananni P F, Zanzari A R |
| |
Tschermaks Mineralogische und Petrographische Mitteilungen 22 (1975) 266-277 |
|
The crystal structure of roscherite |
|
Locality: Lavra da Ilha, Taquaral, Minas Gerais, Brazil |
|
_database_code_amcsd 0015658 |
|
15.874 11.854 6.605 90 95.43 90 C2/c |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ca 0 .2599 .25 .00069 .00387 .01037 0 .00145 0 |
|
Mg .1714 .1630 -.0043 .7 .00054 .00311 .00802 -.00013 .00075 -.00035 |
|
Fe .1714 .1630 -.0043 .3 .00054 .00311 .00802 -.00013 .00075 -.00035 |
|
Al 0 0 0 .67 .00064 .00445 .01439 .00200 .00129 -.00402 |
|
Be .3322 .1772 .3024 .00061 .00348 .00863 -.00013 .00127 -.00042 |
|
P1 .1874 .1166 .4777 .00043 .00272 .00694 -.00011 .00083 -.00019 |
|
P2 0 .2727 .75 .00045 .00320 .00699 0 .00051 0 |
|
O1 .1431 .0023 .5012 .00143 .00328 .00982 -.00064 .00079 .00002 |
|
O2 .2816 .0989 .4508 .00064 .00384 .01033 .00016 .00142 .00600 |
|
O3 .1442 .1824 .2973 .00068 .00349 .00882 -.00011 .00038 .00034 |
|
O4 .1805 .1849 .6754 .00094 .00335 .00859 .00016 .00087 -.00066 |
|
O5 .0410 .2006 .9233 .00124 .00431 .00812 .00072 .00052 .00042 |
|
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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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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| |
Multiple datasets can be concatenated into a single downloadable file by
selecting the datasets and then hitting the "Download Selected Data" button.
