|
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 |
|
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 |
|
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 |
|
O7 .8774 .3626 .3474 .0085 .0026 .0084 .0014 .0011 .0014 |
|
O8 .9350 .4228 .0842 .0083 .0033 .0095 .0013 .0030 .0009 |
|
O9 .5655 .1159 .1687 .0261 .0027 .0094 .0023 -.0001 -.0002 |
|
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 |
|
P1 .5 .29949 -.25 .46 |
|
P2 .25851 .11538 -.04081 .59 |
|
Mg 0 .52867 -.25 .5 1.16 |
|
O1 .61740 .26034 .70925 .88 |
|
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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|
| |
|
Tarbuttite |
|
Cocco G, Fanfani L, Zanazzi P F |
|
Zeitschrift fur Kristallographie 123 (1966) 321-329 |
|
The crystal structure of tarbuttite, Zn2(OH)PO4 |
|
Locality: Broken Hill, Rhodesia |
|
_database_code_amcsd 0010630 |
|
5.499 5.654 6.465 102.85 102.77 86.83 P-1 |
|
atom x y z Biso |
|
Zn1 .3866 .2481 .4923 .17 |
|
Zn2 .0278 .7384 .1897 .05 |
|
P .8387 .2500 .2735 .20 |
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O1 .7724 .9917 .1482 .18 |
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O2 .9357 .3867 .1287 .12 |
|
O3 .6034 .3817 .3338 .22 |
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O4 .9722 .7458 .5083 .25 |
|
OH .3661 .8850 .2990 .14 |
|
|
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|
| |
|
Fornacite |
|
Cocco G, Fanfani L, Zanazzi P F |
|
Zeitschrift fur Kristallographie 124 (1967) 385-397 |
|
The crystal structure of fornacite |
|
Locality: Reneville, Congo |
|
_database_code_amcsd 0010641 |
|
8.101 5.893 17.547 90 110.00 90 P2_1/c |
|
atom x y z occ Biso |
|
Pb1 .2194 .2197 .3757 1.92 |
|
Pb2 .2225 .7731 .0589 1.67 |
|
Cu .4859 .5082 .2486 1.33 |
|
As .4865 .2595 .0814 .925 1.61 |
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P .4865 .2595 .0814 .075 1.61 |
|
Cr .0504 .2597 .1589 1.05 |
|
O1 .5409 .0282 .1377 2.5 |
|
O2 .4723 .4779 .1322 2.5 |
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O3 .2901 .2088 .0149 2.5 |
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O4 .6377 .3153 .0476 2.5 |
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O5 .9941 .0316 .1019 2.5 |
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O6 .0044 .4726 .0944 2.5 |
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O7 .2501 .2478 .2135 2.5 |
|
O8 .9271 .2889 .2182 2.5 |
|
OH .3440 .7607 .2192 2.5 |
|
|
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|
| |
|
Vauquelinite |
|
Fanfani L, Zanazzi P F |
|
Zeitschrift fur Kristallographie 126 (1968) 433-443 |
|
The crystal structure of vauquelinite and the relationships to fornacite |
|
Locality: Beresov, Ural Mountains, Russia |
|
_database_code_amcsd 0010658 |
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13.754 5.806 9.563 90 94.57 90 P2_1/n |
|
atom x y z Biso |
|
Pb1 .7363 .2256 .4954 2.99 |
|
Pb2 .0535 .7686 .1666 2.22 |
|
Cu1 0 0 .5 2.96 |
|
Cu2 0 .5 .5 1.33 |
|
Cr .8620 .2625 .1811 1.69 |
|
P .1584 .2737 .3207 1.83 |
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O1 .1203 .0478 .3806 3.13 |
|
O2 .1104 .4780 .3868 3.25 |
|
O3 .1192 .2589 .1679 2.53 |
|
O4 .2683 .2951 .3470 2.50 |
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O5 .8910 .0281 .1013 2.53 |
|
O6 .9103 .4836 .0964 1.98 |
|
O7 .9113 .2360 .3381 1.91 |
|
O8 .7470 .2735 .1838 2.32 |
|
OH .9529 .7837 .3841 2.21 |
|
|
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|
| |
|
Tsumebite |
|
Fanfani L, Zanazzi P F |
|
Mineralogical Magazine 36 (1967) 522-529 |
|
Structural similarities of some secondary lead minerals |
|
Locality: Tsumeb, South West Africa |
|
Note: coordinates of O atoms are from arsentsumebite |
|
_database_code_amcsd 0014449 |
|
7.85 5.80 8.70 90 111 90 P2_1/m |
|
atom x y z |
|
Pb1 .729 .25 .25 |
|
Pb2 .288 .25 .393 |
|
Cu2+ 0 0 0 |
|
Cu2+ 0 .5 0 |
|
S .454 .75 .171 |
|
P .032 .75 .340 |
|
OH1 .1707 .25 .0811 |
|
O2 -.2413 .25 -.4682 |
|
O3 .0928 .25 .5563 |
|
O4 .4336 .25 .9346 |
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O5 .7754 .25 -.0543 |
|
O6 -.0002 .0302 -.2410 |
|
O7 .5099 .0252 -.2875 |
|
|
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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 |
|
Al(1) .3984 .1057 .2581 .85 0.0050 0.0035 0.0006 0.0002 0.0003 0.0003 |
|
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 |
|
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 |
|
9.08 16.37 5.62 90 90 90 Pbnm |
|
atom x y z Biso |
|
Pb .5131 .4117 .75 2.4 |
|
Al .3338 .1998 .998 2.3 |
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C1 .4172 .3506 .25 2.50 |
|
C2 .7599 .4502 .25 2.80 |
|
O1 .4027 .3097 .0521 2.7 |
|
O2 .4599 .4224 .25 2.1 |
|
O3 .7737 .4112 .0506 2.5 |
|
O4 .7399 .5242 .25 2.8 |
|
OH1 .1969 .2076 .25 1.9 |
|
OH2 .4705 .1856 .75 1.9 |
|
OH3 .4619 .1668 .25 2.4 |
|
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 |
|
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 |
|
O1 .0775 .2680 .1566 .69 |
|
O2 .0746 .7469 .1641 1.00 |
|
O3 .2805 .5027 .3375 1.28 |
|
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 |
|
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 |
|
S1 0 0 .2376 1.05 |
|
S1' 2/3 1/3 .2532 1.00 |
|
S2 0 0 .7782 .95 |
|
S2' 2/3 1/3 .7950 .75 |
|
S3 0 0 .5074 .9 |
|
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 |
|
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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|
| |
|
Kogarkoite |
|
Fanfani L, Giuseppetti G, Tadini C, Zanazzi P F |
|
Mineralogical Magazine 43 (1980) 753-759 |
|
The crystal structure of kogarkoite, Na3SO4F |
|
Locality: Mt Princeton, Colorado, USA |
|
_database_code_amcsd 0014471 |
|
18.0790 6.958 11.443 90 107.71 90 P2_1/m |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Na1 .5 0 .5 1.30 .0010 .0062 .0031 -.0004 .0005 .0006 |
|
Na2 .3494 .25 .3009 1.66 .0010 .0072 .0052 0 .0009 0 |
|
Na3 .1166 .25 .8732 1.37 .0008 .0057 .0042 0 .0006 0 |
|
Na4 .6149 .25 .3974 1.25 .0009 .0064 .0030 0 .0006 0 |
|
Na5 .8519 .25 .8160 1.16 .0011 .0060 .0023 0 .0006 0 |
|
Na6 .3934 .25 .9058 1.51 .0017 .0062 .0031 0 .0010 0 |
|
Na7 0 0 0 1.24 .0012 .0063 .0024 .0002 .0006 .0010 |
|
Na8 .8932 .25 .4380 1.25 .0014 .0051 .0026 0 .0008 0 |
|
Na9 .2790 .0274 .0296 1.10 .0009 .0058 .0022 .0000 .0005 .0002 |
|
Na10 .4651 .0180 .1900 1.38 .0010 .0066 .0039 .0001 .0008 .0003 |
|
Na11 .2447 .0008 .7330 1.25 .0012 .0063 .0024 -.0004 .0006 -.0006 |
|
Na12 .7737 .0222 .5510 1.32 .0013 .0063 .0030 .0002 .0009 .0006 |
|
Na13 .9700 .0233 .7084 1.22 .0011 .0058 .0029 .0001 .0007 .0002 |
|
S1 .1619 .25 .1931 .59 .0005 .0028 .0015 0 .0004 0 |
|
S2 .5970 .25 .0821 .67 .0005 .0037 .0015 0 .0003 0 |
|
S3 .6537 .25 .7022 .58 .0005 .0030 .0012 0 .0002 0 |
|
S4 .0849 .25 .5429 .65 .0006 .0030 .0016 0 .0004 0 |
|
S5 .3749 .25 .6120 .66 .0006 .0032 .0015 0 .0004 0 |
|
S6 .8697 .25 .1194 .58 .0005 .0030 .0013 0 .0003 0 |
|
O1 .1129 .0773 .1787 1.36 .0012 .0045 .0040 -.0010 .0009 -.0003 |
|
O2 .6458 .0768 .0945 1.38 .0013 .0040 .0041 .0008 .0009 -.0004 |
|
O3 .6532 .0764 .7756 1.30 .0013 .0051 .0028 -.0003 .0006 .0014 |
|
O4 .1334 .0768 .5535 1.27 .0011 .0039 .0039 .0006 .0009 -.0001 |
|
O5 .2021 .25 .0991 1.38 .0014 .0073 .0031 0 .0015 0 |
|
O6 .5598 .25 .1796 1.35 .0011 .0095 .0024 0 .0010 0 |
|
O7 .7242 .25 .6632 1.45 .0010 .0080 .0043 0 .0015 0 |
|
O8 .0475 .25 .6406 1.49 .0016 .0077 .0035 0 .0018 0 |
|
O9 .2196 .25 .3164 1.37 .0011 .0081 .0020 0 -.0001 0 |
|
O10 .5369 .25 .9616 1.76 .0010 .0135 .0018 0 -.0002 0 |
|
O11 .5838 .25 .5949 1.48 .0011 .0072 .0024 0 -.0005 0 |
|
O12 .0244 .25 .4223 1.60 .0012 .0096 .0023 0 -.0003 0 |
|
O13 .9181 .0771 .1282 1.49 .0013 .0055 .0038 .0012 .0006 .0002 |
|
O14 .8079 .25 .0003 1.25 .0009 .0090 .0016 0 -.0001 0 |
|
O15 .8344 .25 .2195 1.46 .0013 .0102 .0025 0 .0010 0 |
|
O16 .3747 .0782 .5374 1.82 .0022 .0052 .0043 -.0001 .0013 -.0019 |
|
O17 .4430 .25 .7203 2.84 .0021 .0150 .0044 0 -.0012 0 |
|
O18 .3044 .25 .6503 2.90 .0022 .0089 .0122 0 .0045 0 |
|
F1 .4788 .25 .3566 1.10 .0008 .0073 .0019 0 .0004 0 |
|
F2 .3776 .25 .0935 1.05 .0009 .0048 .0022 0 .0002 0 |
|
F3 .2376 .25 .8631 1.11 .0010 .0061 .0022 0 .0006 0 |
|
F4 .9901 .25 .8760 .98 .0008 .0048 .0022 0 .0004 0 |
|
F5 .7427 .25 .3945 1.13 .0011 .0056 .0023 0 .0006 0 |
|
F6 .8755 .25 .6271 .98 .0009 .0059 .0016 0 .0004 0 |
|
|
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|
| |
|
Tarbuttite |
|
Fanfani L, Zanazzi P F |
| |
Periodico di Mineralogia 34 (1965) 539-545 |
|
Dati strutturali sulla tarbuttite |
|
Locality: Broken Hill, Rhodesia |
|
_database_code_amcsd 0014936 |
|
5.499 5.654 6.465 102.85 102.77 86.83 P-1 |
|
atom x y z |
|
Zn1 .386 .248 .492 |
|
Zn2 .028 .738 .190 |
|
P .838 .249 .273 |
|
O1 .773 .991 .149 |
|
O2 .937 .386 .129 |
|
O3 .602 .382 .333 |
|
O4 .973 .726 .508 |
|
OH .366 .885 .298 |
|
|
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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 |
|
OH7 .2999 .1636 .0644 .00074 .00342 .00780 .00001 .00079 -.00062 |
|
OH8 0 .0428 .75 .00071 .00435 .04580 0 -.00003 0 |
|
Wat9 .0935 .4205 .2200 .00122 .00373 .01244 .00008 .00089 .00006 |
|
|
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|
| |
|
Roscherite |
|
Fanfani L, Zanazzi P F, Zanzari A R |
| |
Tschermaks Mineralogische und Petrographische Mitteilungen 24 (1977) 169-178 |
|
The crystal structure of a triclinic roscherite |
|
Note: B(3,3) changed from .00848 to .00488 to match reported Biso |
|
Locality: Foote Mine, North Carolina, USA |
|
_database_code_amcsd 0015664 |
|
15.921 11.965 6.741 91.07 94.35 89.99 C-1 |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Fe3+ 0 0 .5 .42 1.51 .00087 .00473 .00561 .00040 .00100 .00262 |
|
Al3+ 0 0 .5 .13 1.51 .00087 .00473 .00561 .00040 .00100 .00262 |
|
Mn3+ 0 0 .5 .12 1.51 .00087 .00473 .00561 .00040 .00100 .00262 |
|
Ca .0010 .2611 .2459 .96 .00085 .00211 .00488 .00025 .00107 -.00013 |
|
Mn2+A .1704 .1620 -.0078 .98 .82 .00060 .00205 .00394 .00012 .00055 .00013 |
|
Ca2+A .1704 .1620 -.0078 .01 .82 .00060 .00205 .00394 .00012 .00055 .00013 |
|
Mg2+A .1704 .1620 -.0078 .01 .82 .00060 .00205 .00394 .00012 .00055 .00013 |
|
Mn2+B .1706 -.1586 .4986 .98 .87 .00086 .00193 .00364 .00035 .00066 -.00027 |
|
Ca2+B .1706 -.1586 .4986 .01 .87 .00086 .00193 .00364 .00035 .00066 -.00027 |
|
Mg2+B .1706 -.1586 .4986 .01 .87 .00086 .00193 .00364 .00035 .00066 -.00027 |
|
BeA .3305 .1727 .2965 .86 .00109 .00137 .00417 .00033 .00110 -.00079 |
|
BeB .3332 -.1762 -.2009 .85 .00036 .00246 .00441 .00021 .00018 .00131 |
|
P1A .1852 .1205 .4752 .80 .00068 .00190 .00363 .00017 .00086 -.00033 |
|
P1B .1861 -.1207 -.0182 .77 .00078 .00161 .00384 .00018 .00071 -.00010 |
|
P2 .0022 .2761 .7477 .77 .00063 .00193 .00336 .00015 .00077 -.00044 |
|
O1A .1378 .0106 .5043 1.07 .00086 .00190 .00705 -.00018 .00057 -.00040 |
|
O1B .1412 -.0073 .0100 1.16 .00157 .00171 .00545 .00049 .00129 -.00063 |
|
O2A .2782 .0960 .4382 .96 .00075 .00221 .00524 .00044 .00122 .00113 |
|
O2B .2798 -.1012 -.0476 1.00 .00091 .00172 .00617 .00007 .00092 -.00119 |
|
O3A .1410 .1859 .3046 1.10 .00091 .00284 .00437 .00034 .00077 -.00044 |
|
O3B .1417 -.1871 -.1942 1.05 .00090 .00218 .00549 -.00023 .00050 -.00161 |
|
O4A .1833 .1922 .6713 .99 .00091 .00270 .00310 -.00001 .00090 -.00048 |
|
O4B .1795 -.1887 .1754 1.09 .00134 .00286 .00216 .00017 .00162 .00009 |
|
O5A .0406 .2093 .9195 1.19 .00107 .00290 .00462 .00042 .00062 -.00058 |
|
O5B .0332 -.1982 .4286 1.19 .00128 .00294 .00314 .00002 .00001 -.00115 |
|
O6A .0685 .3520 .6609 .94 .00080 .00270 .00313 .00026 .00125 .00095 |
|
O6B .0670 -.3517 .1728 1.26 .00068 .00292 .00822 -.00009 .00124 -.00098 |
|
OHA .3011 .1587 .0647 .94 .00080 .00214 .00425 .00005 .00008 -.00073 |
|
OHB .3020 -.1619 -.4307 1.04 .00094 .00271 .00355 .00029 .00049 .00017 |
|
Wat1 .0003 .0446 .2157 1.40 .00119 .00296 .00747 .00024 .00112 .00094 |
|
Wat2A .0944 .4209 .2354 1.61 .00187 .00293 .00729 .00004 .00109 -.00060 |
|
Wat2B .0944 -.4194 -.2768 1.57 .00142 .00272 .00981 .00054 .00128 -.00065 |
|
|
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|
| |
|
Strunzite |
|
Fanfani L, Tomassini M, Zanazzi P F, Zanzari A R |
| |
Tschermaks Mineralogische und Petrographische Mitteilungen 25 (1978) 77-87 |
|
The crystal structure of strunzite, a contribution to the |
|
crystal chemistry of basic ferric-manganous hydrated phosphates |
|
Locality: Big Chief mine, Glendale, South Dakota |
|
_database_code_amcsd 0015670 |
|
10.228 9.837 7.284 90.17 98.44 117.44 P-1 |
|
atom x y z Biso |
|
Mn .5037 .3338 .2445 .93 |
|
Fe1 -.0307 .2435 .1373 .98 |
|
Fe2 .0260 -.2290 .3630 1.04 |
|
P1 -.1864 .4664 .0607 .83 |
|
P2 .1917 .1531 .4342 .67 |
|
O1 -.3481 .4256 .0667 2.5 |
|
O2 -.1758 .3191 .0312 1.5 |
|
O3 -.0853 -.4445 .2458 1.1 |
|
O4 -.1407 -.4316 -.1044 1.5 |
|
O5 .1000 .1508 .2454 1.1 |
|
O6 .1508 -.0133 .4783 1.2 |
|
O7 .3549 .2430 .4251 2.1 |
|
O8 .1606 .2289 .5945 1.2 |
|
OH1 -.0408 .3084 .3926 1.1 |
|
OH2 .0347 -.1524 .1115 1.4 |
|
Wat1 .3138 .2511 .0097 1.4 |
|
Wat2 .3122 -.4351 .5171 1.8 |
|
Wat3 .4893 -.4520 .2580 1.9 |
|
Wat4 -.4763 .1230 .1925 5.3 |
|
Wat5 .2289 -.2306 .3338 1.4 |
|
Wat6 -.2241 .0387 .1677 1.4 |
|
|
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|
| |
|
Metaswitzerite |
|
Fanfani L, Zanazzi P F |
| |
Tschermaks Mineralogische und Petrographische Mitteilungen 26 (1979) 255-269 |
|
Switzerite: its chemical formula and crystal structure |
|
Locality: North Carolina |
|
Note: could not reproduce Wat18 bond lengths |
|
Note: IMA official name of this phase changed from switzerite |
|
_database_code_amcsd 0015677 |
|
8.496 13.173 17.214 90 96.65 90 P2_1/c |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
MnMe1 .2106 .1548 .7633 1.01 .0016 .0007 .0019 .0001 .0008 .0000 |
|
MnMe2 .1835 .6555 .7310 .89 .0012 .0006 .0016 .0001 .0002 .0001 |
|
MnMe3 .2842 .9198 .7355 1.06 .0015 .0008 .0019 .0001 .0006 .0001 |
|
MnMe4 .6863 .9210 .7451 .92 .0012 .0007 .0017 .0000 .0002 .0000 |
|
FeMe5 .1086 .8329 .0187 .9 1.23 .0045 .0010 .0016 .0005 .0011 .0001 |
|
FeMe6 .3724 .0864 .4606 .85 1.11 .0026 .0013 .0015 .0001 -.0001 .0001 |
|
P1 .0471 .3289 .8652 .90 .0016 .0008 .0015 .0002 .0002 -.0001 |
|
P2 .9764 .0125 .1355 .78 .0012 .0006 .0014 -.0002 .0002 .0001 |
|
P3 .5413 .2496 .8639 .89 .0016 .0008 .0014 .0003 .0004 .0001 |
|
P4 .5132 .5986 .8531 .91 .0014 .0011 .0013 -.0003 .0001 -.0001 |
|
O1 .0421 .2091 .4488 1.85 .0067 .0017 .0021 .0010 .0005 -.0002 |
|
O2 .2100 .1204 .3585 1.32 .0023 .0028 .0012 .0013 .0005 .0003 |
|
O3 .0816 .5907 .1562 1.52 .0031 .0013 .0023 .0009 -.0006 -.0003 |
|
O4 .0296 .2621 .3062 1.21 .0009 .0016 .0020 .0011 .0009 .0007 |
|
O5 .0344 .4388 .4329 1.61 .0076 .0014 .0016 .0001 .0018 .0000 |
|
O6 .1332 -.0053 .1868 1.41 .0012 .0022 .0020 .0006 -.0004 .0005 |
|
O7 .0304 .6251 .3929 1.37 .0034 .0018 .0017 -.0004 .0003 .0000 |
|
O8 .1620 .4904 .3148 1.14 .0021 .0007 .0021 -.0003 .0010 -.0003 |
|
O9 .4240 .3325 .3339 1.51 .0037 .0016 .0020 -.0001 .0001 .0007 |
|
O10 .5250 .1573 .3084 1.24 .0029 .0017 .0015 .0000 .0001 -.0006 |
|
O11 .2886 .7921 .1324 1.37 .0014 .0018 .0021 .0003 .0004 -.0001 |
|
O12 .5072 .2150 .4466 1.58 .0042 .0023 .0017 -.0008 .0006 .0004 |
|
O13 .4796 .2872 .1305 1.06 .0015 .0008 .0019 -.0007 .0008 -.0004 |
|
O14 .3655 .9296 .2950 1.03 .0019 .0009 .0017 -.0004 .0005 .0002 |
|
O15 .5005 .9593 .4285 1.32 .0028 .0012 .0021 .0000 .0012 -.0003 |
|
O16 .3326 .4351 .1820 .97 .0008 .0010 .0017 .0003 .0001 -.0002 |
|
Wat17 .2333 .2117 .1834 1.33 .0051 .0010 .0016 .0009 .0003 .0002 |
|
Wat18 -.0215 .3918 .1836 1.47 .0024 .0022 .0020 .0005 .0007 .0005 |
|
Wat19 .2515 .7139 .3088 1.05 .0017 .0017 .0013 -.0003 .0006 -.0002 |
|
Wat20 .4888 .0349 .1674 1.83 .0055 .0020 .0022 .0006 .0008 .0009 |
|
Wat21 .2061 .8148 .4644 2.75 .0047 .0049 .0030 .0001 .0005 .0010 |
|
Wat22 .1724 .4646 .0209 4.60 .0040 .0147 .0023 -.0025 .0014 -.0026 |
|
Wat23 .3315 -.4101 .4896 7.70 .0148 .0112 .0091 .0091 -.0033 -.0053 |
|
Wat24 .3236 .1190 .0148 5.15 .0166 .0086 .0042 -.0056 .0017 .0001 |
|
|
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|
| |
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