American Mineralogist Crystal Structure Database

21 matching records for this search.

Vishnevite
Download hom/vishnevite.pdf
Della Ventura G, Bellatreccia F, Parodi G C, Camara F, Piccinini M
Download am/vol92/AM92_713.pdf
American Mineralogist 92 (2007) 713-721
Single-crystal FTIR and X-ray study of vishnevite, ideally
[Na6(SO4)][Na2(H2O)2](Si6Al6O24)
Locality: Latium, Italy
Sample: Pi4
_database_code_amcsd 0004320
12.7228 12.7228 5.1980 90 90 120 P6_3
atom     x     y     z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na1    2/3   1/3 .1333 .83 .034   .019   .019   .064   .010      0      0
Na2  .1141 .2258 .2940 .35 .024   .017   .039   .023   .020  -.004  -.005
K    .1458 .2894 .2893 .43 .042   .038   .065   .032   .034  -.003  -.006
Al   .3384 .4144 .7570     .009   .009   .010   .008   .006   .000   .001
Si   .0834 .4134 .7562     .008   .008   .009   .008   .005   .000   .001
S        0     0 .2918 .29 .045   .040   .040   .057   .020      0      0
O1   .2019 .4044 .6799     .017   .010   .026   .018   .011   .002   .000
O2   .1192 .5535 .7332     .023   .022   .014   .035   .011   .006   .004
O3   .0386 .3599 .0419     .018   .014   .027   .011   .011   .002   .004
O4   .3279 .3527 .0597     .017   .021   .024   .011   .015  -.001   .005
O51  .0615 .1133 .6725 .22 .150
O52  .0496 .1090 .9541 .25 .139
O6   .6184 .3043 .6893 .33 .062
O7       0     0 .0737 .22 .068
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Gadolinite-(Y)
Download hom/gadolinitey.pdf
Camara F, Oberti R, Ottolini L, Ventura G D, Bellatreccia F
Download am/vol93/AM93_996.pdf
American Mineralogist 93 (2008) 996-1004
The crystal chemistry of Li in gadolinite
Locality: Vico lake, Latium, Italy
_database_code_amcsd 0004599
4.7708 7.6229 9.8975 90 90.017 90 P2_1/c
atom      x     y     z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
CaA   .9958 .1068 .3309  .40  .009   .008   .009   .008   .001  -.001   .000
YA    .9958 .1068 .3309  .19  .009   .008   .009   .008   .001  -.001   .000
LaA   .9958 .1068 .3309  .03  .009   .008   .009   .008   .001  -.001   .000
CeA   .9958 .1068 .3309  .12  .009   .008   .009   .008   .001  -.001   .000
PrA   .9958 .1068 .3309  .02  .009   .008   .009   .008   .001  -.001   .000
NdA   .9958 .1068 .3309  .08  .009   .008   .009   .008   .001  -.001   .000
SmA   .9958 .1068 .3309  .02  .009   .008   .009   .008   .001  -.001   .000
EuA   .9958 .1068 .3309  .00  .009   .008   .009   .008   .001  -.001   .000
GdA   .9958 .1068 .3309  .02  .009   .008   .009   .008   .001  -.001   .000
DyA   .9958 .1068 .3309  .02  .009   .008   .009   .008   .001  -.001   .000
ErA   .9958 .1068 .3309  .01  .009   .008   .009   .008   .001  -.001   .000
YbA   .9958 .1068 .3309  .01  .009   .008   .009   .008   .001  -.001   .000
ThA   .9958 .1068 .3309  .07  .009   .008   .009   .008   .001  -.001   .000
UA    .9958 .1068 .3309  .01  .009   .008   .009   .008   .001  -.001   .000
Fe2+X     0     0     0  .50  .007   .006   .008   .007   .001  -.001   .001
LiX       0     0     0  .23  .007   .006   .008   .007   .001  -.001   .001
Fe3+X     0     0     0  .21  .007   .006   .008   .007   .001  -.001   .001
MnX       0     0     0  .03  .007   .006   .008   .007   .001  -.001   .001
MgX       0     0     0  .02  .007   .006   .008   .007   .001  -.001   .001
SiZ   .5462 .4106 .3384  .50  .006   .005   .006   .006  -.001  -.001   .000
BeZ   .5462 .4106 .3384  .27  .006   .005   .006   .006  -.001  -.001   .000
BZ    .5462 .4106 .3384  .20  .006   .005   .006   .006  -.001  -.001   .000
LiZ   .5462 .4106 .3384  .03  .006   .005   .006   .006  -.001  -.001   .000
SiT   .4765 .2704 .0813  .50  .006   .007   .006   .006  -.001   .000   .000
BeT   .4765 .2704 .0813  .27  .006   .007   .006   .006  -.001   .000   .000
BT    .4765 .2704 .0813  .20  .006   .007   .006   .006  -.001   .000   .000
LiT   .4765 .2704 .0813  .03  .006   .007   .006   .006  -.001   .000   .000
O1    .2408 .4052 .0343       .010   .008   .013   .010   .001   .000   .001
O2    .6723 .2924 .4542       .011   .013   .009   .012   .000   .005   .001
O3    .6834 .3401 .2024       .012   .013   .013   .010  -.003  -.002   .000
O4    .3173 .0968 .1432       .011   .015   .009   .008  -.005   .003   .001
O5    .2270 .4105 .3350       .011   .010   .013   .010   .001   .000   .000
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Kircherite
 
Camara F, Bellatreccia F, Della Ventura G, Gunter M E, Sebastiani M, Cavallo A
 
American Mineralogist 97 (2012) 1494-1504
Kircherite, a new mineral of the cancrinite-sodalite group with a 36-layer
stacking sequence: Occurrence and crystal structure
Locality: Valle Biachella, Sacrofano community (Rome, Latium, Italy)
_database_code_amcsd 0019258
12.8770 12.8770 95.244 90 90 120 R32
atom       x       y       z   occ  Uiso
K1    .21935  .78244 .026734       .0316
Na1        0       0       0       .0620
Na2A       0  .49632       0  .616 .0281
Ca2B       0  .49632       0  .384 .0281
Ca3      2/3     1/3 .035016 1.009 .0283
Na4A   .4865  .97775 .055175  .771 .0383
Ca4B   .4865  .97775 .055175  .229 .0383
Na5A       0       0  .06575  .720  .051
Ca5B       0       0  .05922  .280  .051
Na6A   .3399   .1714  .08322  .644 .0451
K6B    .4289   .2173  .07941  .249 .0451
Na6B   .2762   .1439  .08739  .193 .0451
Na7A     1/3     2/3  .08904   .05 .0354
Ca7B     1/3     2/3  .08904   .95 .0354
Na8A     2/3     1/3  .10234  .452  .055
Na8B     2/3     1/3   .1135   .08  .055
Na8C     2/3     1/3  .12063   .68  .055
K9A    .1242   .2467  .10791  .236 .0544
Na9A   .1591   .3183  .11131  .630 .0544
Na9B   .2035   .4025  .11546  .203 .0544
Na1C       0       0  .13014   .53  .065
Na1D       0       0   .1396   .18  .065
Na1E       0       0  .14781   .50  .065
Na1F   .4939   .9927  .13870   .23  .016
K1G    .4686    .930  .13597  .411  .117
Na1G   .5223  1.0488   .1413  .367  .117
Na1K     1/3     2/3  .15719  .516  .044
K1L    .2474   .1287  .17056  .210 .0575
Na1L     1/3   .1667     1/6  .580 .0575
Si1   .25209       0       0       .0153
Si2   .92141  .58468 .028745       .0138
Si3   .25017 -.00038 .056598       .0153
Si4   .33285  .41471 .084480       .0165
Si5   .41674  .08479 .112132       .0176
Si6   .24895  .24891 .139370       .0180
Si7      1/3  .91414     1/6       .0189
Al1        0  .74422       0       .0150
Al2   .40708  .08485 .028747       .0155
Al3   .25229  .25532 .056187       .0151
Al4   .33367  .91923 .084777       .0184
Al5   .41672  .33299 .111910       .0179
Al6   .24778 -.00033 .139511       .0206
Al7   .58118  .91451     1/6       .0189
O1     .1218   .8853  .00247       .0257
O2     .3374   .0159  .01327       .0216
O3     .9782   .6459  .01398       .0265
O4     .7830   .5489  .03041       .0241
O5     .5400   .0786  .02974       .0273
O6     .0006   .6698  .04121       .0293
O7     .3192  -.0016  .04249       .0270
O8     .1132   .8975  .05576       .0284
O9     .2539   .1258  .05938       .0286
O10    .3256   .9846  .06921       .0336
O11    .3276   .3547  .06976       .0379
O12    .4495   .8905  .08400       .0354
O13    .2192   .4260  .08817       .0368
O14    .3496   .3371  .09634       .0413
O15    .3505   .0155  .09803       .0561
O16    .4517   .2220  .11056       .0530
O17    .5372   .0802  .11528       .0554
O18    .3335   .0189  .12516        .077
O19    .3153   .3075  .12514       .0612
O20    .1171   .2216  .13723       .0691
O21    .2402   .1267  .14278       .0774
O22    .6607   .9789  .15169        .086
O23    .3132   .9767  .15362        .088
O24    .4455   .8978  .16380        .093
Wat25      0       0  .02844   .94  .148
S1       1/3     2/3  .00351       .0270
O1SA     2/3     1/3  .01182       .0530
O1SB   .2093   .6027  .00861       .0464
S2       1/3     2/3  .05032       .0313
O2SA     1/3     2/3  .06586       .0553
O2SB   .2101   .6033  .04503       .0553
S3     .6293   .2982  .06703  .307 .0616
O3SA   .5436   .2755  .07575  .158 .0553
O3SB   .6010   .2033  .05750  .142 .0553
S4     -.005  -.0256  .09660  .300  .088
O4SA   .0632  -.0619   .1048  .169 .0553
O4SB  -.0589  -.1188   .0872  .135 .0553
S5     .3110   .6776  .12342  .229 .0473
O5SA    .394   .7873   .1326  .151 .0553
O5SB   .2726   .7297   .1137  .119 .0553
S6     .7000   .3668  .15261   .94  .060
O6SA   .7945   .3943   .1438  .307 .0553
O6SB   .7271   .4598   .1613  .158 .0553
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Fantappieite
 
Camara F, Bellatreccia F, Della Ventura G, Mottana A, Bindi L,
Gunter M E, Sebastiani M
Download am/vol95/AM95_472.pdf
American Mineralogist 95 (2010) 472-480
Fantappieite, a new mineral of the cancrinite-sodalite group
with a 33-layer stacking sequence: Occurrence and crystal structure
Locality: Torre Stracciacappe, Trevignano community, Rome, Latium, Italy
_database_code_amcsd 0005034
12.8742 12.8742 87.215 90 90 120 P-3
atom       x      y     z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na1A   .1579  .3008 .0127  .5 .047
Na1B   .1935  .3875 .0172 .27 .047
Ca1B   .1935  .3875 .0172 .23 .047
Na2      2/3    1/3 .0207 .41 .016
Na3A       0      0  .038 .69 .012
Ca3A       0      0  .038 .13 .012
Ca3B       0      0 .0565 .19 .012
Na4A   .5038 -.0010 .0433 .53 .017
Na4B   .5337  .0671 .0486 .34 .017
Na5A   .3722  .1848 .0727  .5 .067
Ca5B   .2909  .1454 .0781  .5 .067
Na6      2/3    1/3 .0976 .38 .016
Na7      2/3    1/3 .1643 .39 .016
Na8      2/3    1/3 .2355 .86 .036
Na9A    .449   .543 .2528 .16 .027
Na9B    .491   .509 .2552 .72 .027
Na10     1/3    2/3 .2777 .45 .052
Ca11     1/3    2/3 .2988 .53 .052
Na12   .3894  .1987 .2861 .41 .002
Na13   .3234  .1567 .2899 .34 .002
Na14     2/3    1/3 .3071 .49 .051
Na15     2/3    1/3 .3265 .49 .051
Na16   .1322  .2691 .3163 .10 .002
K16    .1322  .2691 .3163 .40 .002
Na17   .1718   .342 .3163  .5 .002
Na18       0      0 .3442 .87 .036
K18        0      0 .3442 .13 .036
Na19    .508  .0253 .3513 .82 .042
Na20     1/3    2/3 .3641 .65 .037
Na21   .2804  .1422 .3797 .91 .063
Na22    .162  .3226 .4071 .31 .061
Ca22    .162  .3226 .4071 .29 .061
Na23   .2067  .3952 .4136 .40 .061
Na24       0      0 .4325 .82 .093
Na25      .5     .5    .5 .95 .036
Na26       0      0    .5 .75 .028
Ca1      1/3    2/3 .0692     .059   .054   .054   .067   .027      0      0
Ca2    .1841  .3559 .1052 .66 .048   .047   .046   .047   .020  -.004   .001
Na2    .1841  .3559 .1052 .34 .048   .047   .046   .047   .020  -.004   .001
Ca3        0      0 .1292     .025   .024   .024   .026   .012      0      0
Ca4     .165  .3359 .1659 .38 .029   .026   .026   .034   .011   .001   .000
Na4     .165  .3359 .1659 .62 .029   .026   .026   .034   .011   .001   .000
Ca5      1/3    2/3 .2047     .003   .030   .030   .032   .015      0      0
Ca6      .16  .3086 .2256 .16 .034   .038   .038   .032   .023  -.003  -.002
Na6      .16  .3086 .2256 .84 .034   .038   .038   .032   .023  -.003  -.002
Ca7        0      0 .2637     .049   .044   .044   .057   .022      0      0
Ca8      1/3    2/3 .3867 .94 .053   .046   .046   .067   .023      0      0
Ca9      2/3    1/3 .4032     .024   .024   .024   .025   .012      0      0
Ca10   .5132  .0217   .44 .05 .022   .022   .025   .021   .012   .005  -.001
Na10   .5132  .0217   .44 .95 .022   .022   .025   .021   .012   .005  -.001
Ca11     1/3    2/3 .4607     .023   .025   .025   .019   .012      0      0
K1     .4474    .55 .1377  .5 .033   .039   .037   .027   .023  -.005  -.001
Na1    .4474    .55 .1377  .5 .033   .039   .037   .027   .023  -.005  -.001
K2     .2322  .1168 .1959 .54 .011   .010   .015   .007    .05  -.002  -.001
Na2    .2322  .1168 .1959 .46 .011   .010   .015   .007    .05  -.002  -.001
K3     .4373  .2182 .4705 .98 .022   .023   .023   .020   .010  -.003   .000
Na3    .4373  .2182 .4705 .02 .022   .023   .023   .020   .010  -.003   .000
AlT1   .4213  .3291 .0139     .007   .007   .007   .007   .003   .000   .000
AlT2   .2503  .0027 .0445     .021   .021   .021   .021   .010   .000   .000
AlT3     1/3  .4133 .0733     .011   .011   .010   .011   .005   .000   .000
AlT4   .4142  .0861 .1055     .009   .010   .010   .009   .005   .000   .001
AlT5   .2588  .2546 .1349     .024   .024   .024   .024   .012   .000   .001
AlT6    .415  .0774 .1664     .005   .005   .006   .004   .002  -.001   .000
AlT7   .3337  .4124 .1973     .025   .025   .025   .026   .013  -.001   .000
AlT8   .4094  .0825 .2271     .023   .022   .023   .023   .011   .000   .000
AlT9   .2529  .2509 .2584     .008   .009   .008   .008   .004   .000   .000
AlT10  .0867  .4194 .2897     .024   .023   .024   .023   .011   .001   .001
AlT11  .4205  .3328  .318     .039   .039   .039   .038   .019   .000   .000
AlT12 -.0016  .2512 .3489     .002   .021   .020   .021   .011   .000   .000
AlT13  .3288  .4134 .3781     .048   .048   .048   .048   .024   .000   .000
AlT14  .4167  .0828 .4079     .019   .019   .019   .019   .009   .000   .000
AlT15  .2536  .2556 .4382     .022   .022   .021   .021   .010   .000   .001
AlT16   .078  .4085 .4686     .014   .016   .013   .011   .006   .000   .000
SiT17  .4214  .0875 .0148     .002   .020   .019   .020   .010   .000  -.001
SiT18  .2509  .2502 .0449     .024   .024   .024   .024   .012   .000   .000
SiT19  .0785  .4103 .0739     .016   .016   .016   .016   .009   .000  -.001
SiT20  .4163  .3352 .1048     .033   .034   .035   .030   .019  -.002  -.003
SiT21  .2596  .0097 .1352     .025   .026   .025   .025   .013   .000   .000
SiT22  .4161  .3410 .1663     .013   .013   .013   .012   .007   .000   .000
SiT23  .5839  .6599 .1981     .002   .019   .020   .020   .010   .000   .001
SiT24  .4128  .3303 .2273     .018   .018   .019   .019   .009   .001   .000
SiT25 -.0020  .2499 .2583     .027   .027   .027   .027   .014   .000  -.001
SiT26  .3353  .4221 .2887     .031   .031   .032   .031   .015  -.001   .002
SiT27  .4162   .086 .3189     .051   .050   .051   .050   .025   .000   .000
SiT28  .2485  .2477 .3478     .019   .019   .019   .019   .010  -.001   .000
SiT29  .0803  .4151 .3785     .058   .058   .058   .058   .029   .000   .000
SiT30  .6691  .0777 .4073     .013   .012   .013   .013   .006   .000   .001
SiT31  .2571  .0094 .4389     .035   .035   .035   .035   .018   .000   .000
SiT32  .3316  .4118 .4681     .018   .019   .018   .018   .009  -.001   .001
SiT33  .2545  .2571 .4999     .031   .028   .031   .034   .015   .003   .001
O1     .0115  .3484 .0005     .083   .083   .083   .083   .041   .000   .000
O2     .4478   .227 .0127     .039   .039   .039   .039   .020  -.001   .000
O3     .5522  .1052 .0176     .027   .027   .027   .027   .013   .000   .000
O4     .3383  .0064 .0303     .039   .039   .039   .039   .019   .000   .000
O5     .3295  .3069 .0293     .072   .072   .072   .072   .036   .000   .000
O6     .1261  .2473 .0425     .047   .047   .047   .047   .024   .000   .000
O7     .2176  .1065  .046     .014   .014   .014   .015   .007   .000   .000
O8     .3278  .0054 .0604     .031   .031   .031   .031   .015   .001  -.001
O9     .3246   .321 .0607     .023   .023   .023   .023   .012   .000   .000
O10    .4599  .5524 .0701     .034   .034   .035   .034   .017   .000   .000
O11    .2174  .4346 .0732     .058   .058   .058   .058   .029   .000   .000
O12    .0146  .3526 .0898     .028   .028   .027   .028   .014   .000  -.001
O13    .3396  .3536 .0901     .062   .062   .062   .062   .031   .000   .000
O14    .4286  .2096 .1022     .023   .023   .023   .023   .011   .000   .000
O15    .5682  .1257 .1057     .045   .045   .045   .045   .023   .000   .000
O16    .3379  .3447 .1197     .046   .046   .046   .046   .023   .000   .000
O17    .0027  .3406 .1215     .042   .042   .042   .042   .021   .000   .000
O18    .1205   .242 .1327     .054   .054   .054   .054   .027   .000   .000
O19    .2036  .0985 .1329     .049   .049   .049   .049   .025   .000   .000
O20     .323  .3149 .1504     .035   .035   .035   .035   .017   .000  -.001
O21    .3381   .023 .1514     .018   .018   .018   .019   .009   .000   .000
O22    .5535  .4539 .1611     .043   .043   .043   .043   .022   .000   .000
O23    .4349  .2201 .1685     .043   .043   .044   .043   .022   .000   .000
O24    .0149  .3526 .1808     .026   .026   .026   .026   .013   .000  -.001
O25     .328  .3435 .1815     .028   .028   .028   .028   .014   .000   .000
O26    .4456  .5661 .1983     .021   .021   .021   .021   .010   .000   .000
O27    .2053  .4015 .1993     .076   .076   .076   .076   .038   .000   .000
O28    .3507  .3311  .211     .009   .009   .009   .008   .004   .000   .000
O29    .3571  .0126 .2122     .042   .042   .042   .042   .021   .000   .000
O30    .4536  .2247 .2279     .055   .055   .055   .055   .028   .000   .000
O31    .5401  .4628 .2318     .046   .046   .046   .046   .023   .000   .000
O32    .3232  .0119 .2413     .035   .035   .035   .035   .018   .001   .000
O33    .3255  .3203 .2423     .003   .030   .030   .029   .015   .001  -.001
O34    .1183  .2274 .2579     .003   .031   .030   .030   .015   .000   .000
O35    .2437  .1174 .2626     .023   .023   .023   .022   .011   .000   .000
O36     .022  .3569  .273     .014   .014   .014   .014   .007   .000   .000
O37    .3242  .3474 .2737     .066   .066   .066   .066   .033   .001   .000
O38    .1302  .5614 .2864     .038   .038   .038   .038   .019   .000   .000
O39    .2053  .4164 .2912     .017   .017   .017   .017   .009   .000   .000
O40     .352  .0166 .3024     .013   .013   .013   .013   .007   .000  -.001
O41    .3539  .3496 .3013     .082   .082   .082   .082   .041   .000   .000
O42    .4646  .2303 .3192     .044   .044   .044   .044   .022   .000   .000
O43    .5448  .0864 .3229     .066   .065   .066   .066   .033   .000   .000
O44     .344  .0327  .334     .067   .068   .067   .067   .034   .000   .000
O45    .3444  .3192 .3345     .025   .025   .025   .025   .013   .000   .000
O46    .1184  .2258 .3435     .063   .063   .063   .063   .031   .000   .000
O47    .2242  .1094 .3518     .018   .018   .018   .018   .009   .000   .000
O48     .305  .3297 .3637     .063   .063   .063   .063   .032   .000   .000
O49    .0225  .3332 .3647     .028   .028   .028   .028   .014   .000   .000
O50    .0721  .5316 .3749     .019   .019   .020   .020   .010   .000   .000
O51    .2246  .4412 .3802     .047   .047   .047   .047   .024   .001   .000
O52    .0099  .3431 .3944     .001   .010   .010   .010   .005   .000  -.001
O53    .6509 -.0097 .3942     .036   .035   .036   .035   .018   .000   .000
O54    .4284   .219 .4032     .057   .057   .057   .057   .028   .000   .000
O55    .5613  .1151 .4086     .091   .091   .091   .091   .046   .000   .000
O56    .3386  .0291 .4239     .036   .036   .036   .036   .018   .000   .000
O57     .676  .0357 .4241     .012   .012   .012   .013   .006   .000   .000
O58    .1307  .2545 .4351     .055   .055   .055   .055   .028   .000   .000
O59     .346  .0014 .4534     .015   .015   .015   .015   .008  -.001   .000
O60    .2138  .1028 .4408     .034   .033   .033   .034   .017   .000   .000
O61    .3262  .3307 .4534     .043   .043   .043   .043   .021   .000   .000
O62    .2188  .4403 .4643     .064   .064   .064   .064   .032   .000   .000
O63    .4639   .531 .4667     .037   .037   .037   .037   .018   .000   .000
O64    .3279   .347 .4862     .023   .023   .023   .023   .011   .000   .000
O65    .2436  .1232 .4984     .024   .024   .024   .024   .012   .000   .000
O66    .3566  .3316 .5139     .013   .013   .013   .013   .007   .000   .000
S1         0      0     0     .042   .042   .042   .043   .021      0      0
S2       1/3    2/3  .029     .032   .032   .032   .032   .016      0      0
S3       2/3    1/3 .0597     .077   .077   .077   .077   .038      0      0
S4         0      0 .0897     .136
S5       1/3    2/3 .1125     .016
S6       1/3    2/3 .1631     .041   .040   .040   .042   .020      0      0
S7         0      0 .1707     .018   .018   .018   .018   .009      0      0
S8         0      0 .2226     .045   .045   .045   .044   .023      0      0
S9         0      0 .2994     .039   .039   .039   .039   .020      0      0
S10      2/3    1/3  .365     .005
S11        0      0 .3949     .004
S12     .356  .6929  .428     .009
S13      2/3    1/3 .4451     .002   .020   .020   .019   .010      0      0
S14      2/3    1/3 .4965     .024
Cl1      2/3    1/3 .2695     .035
Wat1     2/3    1/3 .1341     .002
Wat2     1/3    2/3 .2428     .002
Wat3    .362   .664 .3377     .012
O5SA     1/3    2/3 .0952     .097
O5SB   .2726  .5365 .1172     .025
O6SA     1/3    2/3 .1804     .006
O6SB     .26  .5371 .1587     .025
O7SA       0      0 .1533     .025
O7SB   .0643  .1264  .177     .094
O8SA       0      0 .2399     .006
O8SB   .0678  .1211 .2147     .049
O12B   .1896  .5856  .435     .045
O13A     2/3    1/3 .4277     .048
O13B   .5999  .2042 .4502     .028
O14A     2/3    1/3 .5138     .031
O14B   .6063  .2075 .4899     .003
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Wiluite
 
Bellatreccia F, Camara F, Ottolini L, Della Ventura G, Cibin G, Mottana A
Download cm/vol43/CM43_1457.pdf
The Canadian Mineralogist 43 (2005) 1457-1468
Wiluite from Ariccia, Latium, Italy: Occurrence and crystal structure
Locality: Ariccia, Latium, Italy
_database_code_amcsd 0006057
15.716 15.716 11.704 90 90 90 *P4/nnc
.25 .25 .25
atom         x       y      z    occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
CaX1       .75     .25    .25        .0092  .0137  .0080  .0058      0      0      0
CaX2   -.19038  .04495 .37987 .97875 .0101  .0096  .0119  .0087  .0016 -.0011  .0001
MgX2   -.19038  .04495 .37987 .01875 .0101  .0096  .0119  .0087  .0016 -.0011  .0001
SrX2   -.19038  .04495 .37987  .0025 .0101  .0096  .0119  .0087  .0016 -.0011  .0001
CaX3   -.10090 -.17893 .89483 .97861 .0175  .0131  .0160  .0234  .0004 -.0044 -.0023
LaX3   -.10090 -.17893 .89483 .00625 .0175  .0131  .0160  .0234  .0004 -.0044 -.0023
CeX3   -.10090 -.17893 .89483   .005 .0175  .0131  .0160  .0234  .0004 -.0044 -.0023
NdX3   -.10090 -.17893 .89483 .00125 .0175  .0131  .0160  .0234  .0004 -.0044 -.0023
CaX4       .75     .75 .14318     .5 .0105  .0087  .0087  .0142      0      0      0
Fe3+Y1     .75     .75 .05586    .18 .0188  .0102  .0102  .0359      0      0      0
TiY1       .75     .75 .05586   .135 .0188  .0102  .0102  .0359      0      0      0
MgY1       .75     .75 .05586    .13 .0188  .0102  .0102  .0359      0      0      0
MnY1       .75     .75 .05586   .055 .0188  .0102  .0102  .0359      0      0      0
AlY2         0       0      0  .9175 .0091  .0076  .0078  .0118  .0005 -.0002 -.0009
Fe3+Y2       0       0      0  .0475 .0091  .0076  .0078  .0118  .0005 -.0002 -.0009
MgY2         0       0      0   .035 .0091  .0076  .0078  .0118  .0005 -.0002 -.0009
MgY3   -.11165  .12018 .12789 .41875 .0094  .0101  .0100  .0081  .0007  .0004 -.0004
AlY3   -.11165  .12018 .12789 .41125 .0094  .0101  .0100  .0081  .0007  .0004 -.0004
Fe3+Y3 -.11165  .12018 .12789    .17 .0094  .0101  .0100  .0081  .0007  .0004 -.0004
BT1     .05304  .05304    .25   .545 .0183  .0217  .0217  .0115 -.0066 -.0089  .0089
AlT1    .05304  .05304    .25   .005 .0183  .0217  .0217  .0115 -.0066 -.0089  .0089
BeT1    .05304  .05304    .25   .005 .0183  .0217  .0217  .0115 -.0066 -.0089  .0089
HT1     .05304  .05304    .25  .1175 .0183  .0217  .0217  .0115 -.0066 -.0089  .0089
BT2        .25     .25    .25    .68 .0100
HT2        .25     .25  .2070    .16 .0200
SiZ1       .75     .25      0        .0069  .0075  .0075  .0056      0      0      0
SiZ2   -.17859  .04304 .87208        .0099  .0096  .0129  .0073  .0017 -.0006  .0018
SiZ3   -.08389 -.15020 .36491        .0079  .0099  .0070  .0070  .0014  .0006  .0003
O1     -.21994  .17280 .08462        .0107  .0140  .0092  .0090  .0000 -.0005  .0008
O2     -.12070  .16054 .28284        .0127  .0166  .0102  .0113 -.0002 -.0046  .0014
O3     -.04282  .22472 .07802        .0133  .0173  .0126  .0101  .0056  .0029  .0020
O4     -.06177  .10461 .47133        .0103  .0122  .0097  .0091  .0004 -.0018  .0008
O5     -.17148  .01169 .17953        .0117  .0119  .0131  .0101  .0048  .0004 -.0014
O6     -.12105 -.27629 .05351        .0148  .0190  .0122  .0133  .0021  .0023  .0053
O7A     .05565   .1760  .3201     .5 .0102
O7B      .0445   .1466  .3069     .5 .0172
O8     -.06037 -.09201 .06654        .0099  .0089  .0093  .0114  .0018  .0017 -.0003
O9     -.14607 -.14607    .25        .0124  .0136  .0136  .0099 -.0018 -.0015  .0015
O10        .75     .75  .8700    .66 .0305  .0317  .0317  .0279      0      0      0
O11A    -.0030   .0628  .1351 .48438 .0079
O11B    -.0013   .0536  .1543 .36438 .0109
F11B    -.0013   .0536  .1543 .15124 .0109
O12      .1772   .2733  .2044    .34 .0263
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Dietrichite
Download hom/dietrichite.pdf
Ballirano P, Bellatreccia F, Grubessi O
 
European Journal of Mineralogy 15 (2003) 1043-1049
New crystal-chemical and structural data of dietrichite,
ideally ZnAl2(SO4)4*22H2O, a member of the halotrichite group
_database_code_amcsd 0007025
6.1757 24.262 21.206 90 100.436 90 P2_1/c
atom        x     y     z  occ Uiso
Zn       .370 .5957 .0803 .954 .014
Al(1)    .441 .6128 .4242  .97 .016
Al(2)    .692 .3454 .1957 1.02 .016
S(1)     .087 .2431 .5261      .018
S(2)     .964 .4644 .3886      .018
S(3)     .140 .1961 .2571      .018
S(4)     .165 .4745 .1045      .018
O(1)     .136  .214 .4694      .035
O(2)     .017 .2999  .508      .035
O(3)    -.089 .2146  .551      .035
O(4)     .287  .244 .5762      .035
O(5)     .993  .436 .3293      .035
O(6)     .894 .5217  .372      .035
O(7)     .793  .436  .417      .035
O(8)     .173 .4646 .4352      .035
O(9)     .132  .188 .3257      .035
O(10)    .220 .2528  .249      .035
O(11)   -.082 .1884  .218      .035
O(12)    .294 .1560  .236      .035
O(13)    .157 .4426 .1639      .035
O(14)    .236 .4383  .056      .035
O(15)   -.057 .4962  .079      .035
O(16)    .323 .5207  .120      .035
Wat(1)   .697  .586  .122      .035
Wat(2)   .324  .634  .165      .035
Wat(3)   .434  .673  .043      .035
Wat(4)   .044  .609  .044      .035
Wat(5)   .406  .559 -.004      .035
Wat(6)   .491  .559  .366      .035
Wat(7)   .153  .620  .375      .035
Wat(8)   .536  .668  .371      .035
Wat(9)   .368  .669  .480      .035
Wat(10)  .733  .606  .472      .035
Wat(11)  .357  .560  .478      .035
Wat(12)  .529  .348  .112      .035
Wat(13)  .943  .317  .168      .035
Wat(14)  .603  .271  .208      .035
Wat(15)  .839  .344  .281      .035
Wat(16)  .444  .372  .224      .035
Wat(17)  .785  .418  .187      .035
Wat(18)  .808  .259  .364      .035
Wat(19)  .199  .540  .264      .035
Wat(20)  .665  .507  .234      .035
Wat(21)  .405  .389  .346      .035
Wat(22)  .416  .291  .413      .035
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Farneseite
 
Camara F, Bellatreccia F, Della Ventura G, Mottana A
 
European Journal of Mineralogy 17 (2005) 839-846
Farneseite, a new mineral of the cancrinite - sodalite group
with a 14-layer stacking sequence: occurence and crystal structure
Locality: Latera Caldera, Farnese, Viterbo Province, Italy
_database_code_amcsd 0007136
12.8784 12.8784 37.0078 90 90 120 P6_3/m
atom     x      y     z  occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na1A .5054  .0070 .3927 .467 .014   .011   .022   .015   .011  -.002  -.004
Ca1A .5054  .0070 .3927 .220 .014   .011   .022   .015   .011  -.002  -.004
Na1B .5240  .0470 .3887 .158 .030   .028   .026   .039   .014   .000   .002
Ca1B .5240  .0470 .3887 .074 .030   .028   .026   .039   .014   .000   .002
Na1C .4760 -.0580 .4015 .055 .039   .042   .080   .017   .050  -.010  -.011
Ca1C .4760 -.0580 .4015 .026 .039   .042   .080   .017   .050  -.010  -.011
Na2A   1/3    2/3 .3036 .123 .104   .017   .017   .280   .009      0      0
Ca2A   1/3    2/3 .3036 .070 .104   .017   .017   .280   .009      0      0
Na2B   1/3    2/3 .3479 .230 .050   .038   .038   .074   .019      0      0
Ca2B   1/3    2/3 .3479 .130 .050   .038   .038   .074   .019      0      0
Na3A .6800 -.1605 .4649 .410 .038   .071   .029   .028   .036   .024   .012
Ca3A .6800 -.1605 .4649 .023 .038   .071   .029   .028   .036   .024   .012
Na3B .5970 -.2044 .4543 .213 .043   .072   .036   .031   .035   .022   .018
Ca3B .5970 -.2044 .4543 .012 .043   .072   .036   .031   .035   .022   .018
Na3C .7360 -.1318 .4718 .324 .036   .044   .033   .034   .022   .007   .007
Ca3C .7360 -.1318 .4718 .018 .036   .044   .033   .034   .022   .007   .007
Na4A     0      0 .3832 .105 .029
Na4B     0      0 .4144 .805 .057   .028   .028   .114   .014      0      0
Na5A     0      0   .25 .078 .011
Ca5A     0      0   .25 .076 .011
Na5B     0      0 .2652 .151 .038   .029   .029   .058   .014      0      0
Ca5B     0      0 .2652 .147 .038   .029   .029   .058   .014      0      0
Na6  .5143  .0227   .25  .94 .035   .021   .046   .042   .020      0      0
Ca6  .5143  .0227   .25  .06 .035   .021   .046   .042   .020      0      0
K    .4372  .2190 .3180 .765 .035   .040   .026   .044   .020  -.010  -.004
NaK  .4372  .2190 .3180 .212 .035   .040   .026   .044   .020  -.010  -.004
CaK  .4372  .2190 .3180 .023 .035   .040   .026   .044   .020  -.010  -.004
Ca     2/3    1/3 .4798 .467 .031   .027   .027   .037   .014      0      0
Na     2/3    1/3 .4798 .533 .031   .027   .027   .037   .014      0      0
Al1  .6692  .0828 .4659      .016   .014   .018   .016   .009   .002   .001
Al2  .2524  .0028 .3922      .014   .015   .012   .014   .007  -.001   .000
Al3  .5897 -.0868 .3213      .011   .010   .011   .014   .007   .000   .000
Al4  .2523 -.0051   .25      .010   .009   .007   .013   .003      0      0
Si1  .3371 -.0813 .3213      .011   .009   .012   .013   .006   .000   .001
Si2  .7505 -.0015 .3934      .013   .013   .011   .015   .006  -.001  -.001
Si3  .4151  .0832 .4649      .014   .015   .013   .014   .008   .001   .003
Si4  .2524  .2507   .25      .010   .011   .008   .013   .005      0      0
S1       0      0    .5      .055   .055   .055   .055   .027      0      0
S2     2/3    1/3 .3794      .034   .033   .033   .037   .016      0      0
S3     2/3    1/3 .2500      .034   .031   .031   .041   .015      0      0
S4     1/3    2/3 .4247 .134 .050
O1   .3240 -.0134 .3561      .044   .041   .032   .035   .000   .024  -.014
O2   .6847  .0187 .4268      .049   .055   .041   .041   .015   .022  -.014
O3   .7839  .2269 .4734      .042   .021   .032   .049  -.006   .002  -.001
O4   .2387 -.2218 .3203      .027   .015   .014   .044   .002   .003   .002
O5   .4662 -.0702 .3251      .050   .010   .027   .117   .011  -.003  -.006
O6   .5417  .0902 .4620      .044   .028   .064   .054   .034   .020   .034
O7   .6657 -.0189 .3603      .048   .072   .044   .038   .036  -.036  -.018
O8   .6668  .0002 .5025      .042   .025   .056   .041   .017   .006   .033
O9   .3477  .0316 .4282      .041   .048   .038   .033   .019  -.024  -.007
O10  .3341 -.0132 .2862      .039   .033   .033   .031   .001  -.017   .016
O11  .7841 -.1015   .25      .024   .020   .010   .046   .010      0      0
O12  .2611  .1324   .25      .048   .019   .010   .116   .009      0      0
O13  .2209  .1157 .3873      .062   .086   .032   .088   .045  -.048  -.027
O14  .6708 -.0068 .2842      .048   .079   .037   .043   .040   .049   .026
O15  .7573 -.1190 .4030      .045   .066   .029   .058   .036  -.028  -.015
O30    2/3    1/3 .4196      .063   .073   .073   .042   .037      0      0
O31  .6074  .2101 .3665      .060   .056   .045   .073   .022  -.002  -.019
O32    2/3    1/3 .2835   .5 .050
O33  .5994  .2156 .2661   .5 .050
O34  .4018 -.2033 .4094      .077   .074   .089   .051   .029   .014   .014
O35    1/3    2/3 .4604      .050
O36  .8998 -.0076 .4803      .050
Cl   .3176 -.3024 .4306 .040 .050
S    .3176 -.3024 .4306 .183 .050
F    .3176 -.3024 .4306 .013 .050
Wat1 .3600 -.4070   .25 .266 .050
Wat2     0      0 .3238 .357 .050
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Phlogopite
Download hom/phlogopite.pdf
Scordari F, Ventruti G, Sabato A, Bellatreccia F, Della Ventura G, Pedrazzi G
 
European Journal of Mineralogy 18 (2006) 379-391
Ti-rich phlogopite from Mt. Vulture (Potenza, Italy) investigated by a multianalytical,
approach: substitutional mechanisms and orientation of the OH dipoles
Locality: Cava St. Antonio, Mt. Vulture, Potenza, Italy
Sample: SA1-3
_database_code_amcsd 0007151
5.337 9.239 10.237 90 100.030 90 C2/m
atom      x      y      z    occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K         0     .5      0 1.0657 .0321  .0309  .0332  .0321      0  .0052      0
Mg1       0      0     .5  .7460 .0114  .0095  .0094  .0158      0  .0032      0
Fe1       0      0     .5  .2539 .0114  .0095  .0094  .0158      0  .0032      0
Mg2       0 .33500     .5  .7496 .0120  .0081  .0136  .0143      0  .0017      0
Fe2       0 .33500     .5  .2504 .0120  .0081  .0136  .0143      0  .0017      0
Si   .07516 .16682 .22580        .0117  .0102  .0108  .0142 .00004 .00212  .0000
O1    .3306 .22528 .16875        .0213  .0183  .0261  .0201 -.0059  .0051 -.0042
O2    .0068      0  .1696        .0204  .0262  .0162  .0174      0 -.0003      0
O3    .1307 .16761 .39126        .0128  .0126  .0123  .0139  .0000  .0031 -.0001
O4    .1324     .5  .3989        .0142  .0141  .0150  .0129      0  .0007      0
H      .119     .5   .313  .7105 .0142  .0141  .0150  .0129      0  .0007      0
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Phlogopite
Download hom/phlogopite.pdf
Scordari F, Ventruti G, Sabato A, Bellatreccia F, Della Ventura G, Pedrazzi G
 
European Journal of Mineralogy 18 (2006) 379-391
Ti-rich phlogopite from Mt. Vulture (Potenza, Italy) investigated by a multianalytical,
approach: substitutional mechanisms and orientation of the OH dipoles
Locality: Cava St. Antonio, Mt. Vulture, Potenza, Italy
Sample: SA1-5
_database_code_amcsd 0007152
5.334 9.240 10.235 90 100.021 90 C2/m
atom      x      y      z    occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K         0     .5      0 1.0653 .0308  .0304  .0304  .0316      0  .0055      0
Mg1       0      0     .5  .7554 .0109  .0098  .0080  .0158      0  .0042      0
Fe1       0      0     .5  .2447 .0109  .0098  .0080  .0158      0  .0042      0
Mg2       0 .33555     .5  .7462 .0119 .00852  .0131  .0142      0 .00214      0
Fe2       0 .33555     .5  .2538 .0119 .00852  .0131  .0142      0 .00214      0
Si   .07514 .16687 .22577        .0107 .00994 .00927 .01315 .00008 .00240 .00008
O1    .3303 .22552 .16832        .0205  .0185  .0248  .0189 -.0064  .0051 -.0037
O2    .0063      0 .16935        .0201  .0264  .0140  .0185      0  .0001      0
O3   .13101 .16747 .39139        .0127  .0123  .0118  .0141  .0001  .0028  .0006
O4    .1324     .5 .39917        .0134  .0129  .0147  .0124      0  .0016      0
H      .115     .5   .332  .7027 .0134  .0129  .0147  .0124      0  .0016      0
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Phlogopite
Download hom/phlogopite.pdf
Scordari F, Ventruti G, Sabato A, Bellatreccia F, Della Ventura G, Pedrazzi G
 
European Journal of Mineralogy 18 (2006) 379-391
Ti-rich phlogopite from Mt. Vulture (Potenza, Italy) investigated by a multianalytical,
approach: substitutional mechanisms and orientation of the OH dipoles
Locality: Cava St. Antonio, Mt. Vulture, Potenza, Italy
Sample: SA1-9
_database_code_amcsd 0007153
5.337 9.238 10.228 90 100.050 90 C2/m
atom      x      y      z    occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K         0     .5      0 1.0170 .0309  .0320  .0305  .0302      0  .0054      0
Mg1       0      0     .5  .7403 .0095  .0091  .0069  .0128      0  .0035      0
Fe1       0      0     .5  .2589 .0095  .0091  .0069  .0128      0  .0035      0
Mg2       0 .33610     .5  .7256 .0107 .00755 .01274  .0117      0 .00109      0
Fe2       0 .33610     .5  .2742 .0107 .00755 .01274  .0117      0 .00109      0
Si   .07503 .16690 .22570        .0091 .00903 .00808 .01012 .00009 .00158 .00019
O1    .3299 .22619 .16852        .0184  .0178  .0232  .0150 -.0063  .0049 -.0033
O2    .0087      0 .16952        .0185  .0261  .0133  .0146      0 -.0004      0
O3   .13035 .16764 .39156        .0110  .0109  .0109  .0113  .0004  .0022  .0003
O4    .1324     .5 .39905        .0119  .0122  .0133  .0100      0  .0012      0
H      .114     .5   .317  .6806 .0119  .0122  .0133  .0100      0  .0012      0
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Phlogopite
Download hom/phlogopite.pdf
Scordari F, Ventruti G, Sabato A, Bellatreccia F, Della Ventura G, Pedrazzi G
 
European Journal of Mineralogy 18 (2006) 379-391
Ti-rich phlogopite from Mt. Vulture (Potenza, Italy) investigated by a multianalytical,
approach: substitutional mechanisms and orientation of the OH dipoles
Locality: Cava St. Antonio, Mt. Vulture, Potenza, Italy
Sample: SA1-51
_database_code_amcsd 0007154
5.336 9.236 10.223 90 100.058 90 C2/m
atom      x      y      z    occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K         0     .5      0 1.0451 .0301  .0305  .0306  .0292      0 .00536      0
Mg1       0      0     .5  .7249 .0098 .00893 .00821 .01293      0 .00364      0
Fe1       0      0     .5  .2736 .0098 .00893 .00821 .01293      0 .00364      0
Mg2       0 .33579     .5  .7235 .0108 .00721 .01362 .01140      0 .00130      0
Fe2       0 .33579     .5  .2760 .0108 .00721 .01362 .01140      0 .00130      0
Si   .07504 .16693 .22557        .0090 .00835 .00903 .00963 .00000 .00167 .00014
O1   .32969 .22605 .16825        .0190  .0175  .0249  .0153 -.0067 .00448 -.0035
O2    .0083      0 .16922        .0190  .0266  .0138  .0149      0 -.0007      0
O3   .13067 .16769 .39140        .0111 .01136 .01192 .01001 .00027 .00159 .00010
O4   .13192     .5 .39899        .0126  .0122  .0147  .0107      0  .0018      0
H      .112     .5   .331  .6949 .0126  .0122  .0147  .0107      0  .0018      0
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Phlogopite
Download hom/phlogopite.pdf
Scordari F, Ventruti G, Sabato A, Bellatreccia F, Della Ventura G, Pedrazzi G
 
European Journal of Mineralogy 18 (2006) 379-391
Ti-rich phlogopite from Mt. Vulture (Potenza, Italy) investigated by a multianalytical,
approach: substitutional mechanisms and orientation of the OH dipoles
Locality: Cava St. Antonio, Mt. Vulture, Potenza, Italy
Sample: SA1-52
_database_code_amcsd 0007155
5.335 9.242 10.231 90 100.001 90 C2/m
atom      x      y      z    occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K         0     .5      0 1.0091 .0315  .0313  .0321  .0316      0  .0068      0
Mg1       0      0     .5  .7370 .0107  .0096  .0084  .0148      0  .0042      0
Fe1       0      0     .5  .2625 .0107  .0096  .0084  .0148      0  .0042      0
Mg2       0 .33530     .5  .7303 .0116  .0081  .0132  .0137      0  .0022      0
Fe2       0 .33530     .5  .2696 .0116  .0081  .0132  .0137      0  .0022      0
Si   .07514 .16686 .22597        .0103 .00939 .00923  .0125 -.0001 .00268  .0000
O1    .3301 .22632 .16888        .0201  .0182  .0246  .0181 -.0053  .0054 -.0034
O2    .0084      0  .1697        .0197  .0257  .0152  .0172      0  .0004      0
O3    .1306 .16728 .39175        .0121  .0122  .0114  .0129 -.0001  .0024 -.0006
O4    .1317     .5 .39840        .0125  .0118  .0133  .0125      0  .0025      0
H      .113     .5   .317  .7015 .0125  .0118  .0133  .0125      0  .0025      0
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Whiteite
 
Capitelli F, Chita G, Cavallo A, Bellatreccia F, Ventura G
 
Zeitschrift fur Kristallographie 226 (2011) 731-738
Crystal structure of whiteite-(CaFeMg) from Crosscut Creek, Canada
Locality: Crosscut Creek, Yukon, Canada
_database_code_amcsd 0019137
14.8700 6.9785 9.9268 90 110.110 90 P2/a
atom      x       y      z   occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3)  U(2,3)
Al1       0       0      0 1.024 .01103  .0108  .0098  .0125 -.0001  .0040  -.0005
Al2       0      .5      0 1.024 .01178  .0113  .0110  .0132  .0002  .0046   .0009
Mg1      .5       0     .5 1.005  .0145  .0143  .0137  .0145 -.0005  .0036  -.0032
Mg2     .25  .49738     .5 1.005  .0138  .0143  .0147  .0128      0  .0052       0
Ca      .25 -.02734      0   .95  .0214  .0209  .0120  .0235      0 -.0023       0
Na      .25 -.02734      0   .11  .0214  .0209  .0120  .0235      0 -.0023       0
Fe      .25  .47421      0  .900 .01315  .0137  .0128  .0132      0 .00495       0
P1   .18055  .26402 .18581       .01164  .0110  .0126  .0108 .00045 .00318 -.00027
O1   .27407   .2383 .15106        .0212  .0147  .0296  .0209  .0072  .0080   .0047
O2   .20254  .29773 .34383        .0193  .0259  .0187  .0122 -.0016  .0052  -.0017
O3   .12060  .08277 .13629        .0207  .0210  .0130  .0207 -.0023 -.0022   .0005
O4   .13388  .43949 .08982        .0141  .0115  .0134  .0168  .0002  .0040   .0022
P2   .07936  .74556 .80031       .01090  .0111  .0115  .0104 .00069 .00418  .00077
O5   .18806  .69414 .85668        .0166  .0125  .0203  .0167  .0026  .0047   .0020
O6   .04783  .77900 .63964        .0166  .0206  .0164  .0119  .0027  .0046   .0020
O7   .07267  .93135 .88071        .0164  .0210  .0126  .0200 -.0014  .0123  -.0023
O8   .02133  .58442 .83365        .0145  .0169  .0126  .0156 -.0016  .0076   .0005
O9   .02239  .75174 .08286  .997  .0134  .0150  .0113  .0144 -.0002  .0055       0
H9    .0020    .743  .1625  .997   .020
O10  .22535   .7224 .34460 1.022  .0291  .0399  .0275  .0247  .0111  .0173   .0063
H10a  .1738    .732  .2573 1.022   .044
H10b  .2562    .726   .276 1.022   .036
O11  .45119   .2146 .34572 1.009  .0328  .0395  .0216  .0236 -.0037 -.0069   .0003
H11a   .430    .299   .403 1.009   .049
H11b   .400    .207   .258 1.009   .090
O12  .63087  -.0041 .46625 1.035  .0313  .0243  .0288  .0442 -.0045  .0160  -.0129
H12a  .6839    .049   .537 1.035   .047
H12b   .651   -.106   .421 1.035   .067
O13  .39021   .5129 .50859 1.019  .0253  .0185  .0263  .0326  .0002  .0107   .0075
H13a  .4323    .467  .5950 1.019   .038
H13b   .416    .601   .459 1.019   .082
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Capranicaite
 
Callegari A M, Boiocchi M, Bellatreccia F, Caprilli E, Medenbach O, Cavallo A
 
Mineralogical Magazine 75 (2011) 33-43
Capranicaite, (K,_)(Ca,Na)Al4B4Si2O18: a new inosilicate from Capranica,
Italy, with a peculiar topology of the periodic single chain [Si2O6]
Locality: Vico volcanic complex, Capranica, Viterbo Province, Latium, Italy
_database_code_amcsd 0018373
4.8507 16.6156 20.5445 90 90.245 90 P2_1/n
atom      x     y     z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si1   .8024 .8570 .2496     .0160  .0155  .0198  .0126 -.0027  .0007  .0000
Si2   .1980 .4693 .2506     .0151  .0135  .0187  .0129 -.0015  .0002  .0000
Al1   .2517 .5357 .3947     .0099  .0083  .0100  .0115 -.0001  .0002 -.0002
Al2   .2483 .5357 .1058     .0099  .0080  .0101  .0116 -.0002  .0001  .0005
Al3   .7544 .7945 .1044     .0107  .0116  .0083  .0122 -.0003  .0005 -.0003
Al4   .7456 .7951 .3954     .0106  .0115  .0083  .0118 -.0007  .0010  .0003
B1    .2542 .7072 .0809     .0155  .0067  .0057  .0343 -.0003  .0002 -.0011
B2    .2457 .7074 .4186     .0166  .0051  .0040  .0408  .0012  .0003  .0000
B3    .7489 .4582 .4295     .0105  .0107  .0111  .0097  .0006  .0002 -.0008
B4   -.2496 .4584 .0703     .0116  .0102  .0103  .0142 -.0001  .0003  .0004
CaM1  .7377 .6289 .0037 .60 .0138  .0140  .0131  .0144  .0000  .0002 -.0001
NaM1  .7377 .6289 .0037 .40 .0138  .0140  .0131  .0144  .0000  .0002 -.0001
CaM2  .2395 .3706 .5038 .61 .0134  .0134  .0125  .0142  .0001 -.0001 -.0001
NaM2  .2395 .3706 .5038 .39 .0134  .0134  .0125  .0142  .0001 -.0001 -.0001
KA    .7125 .6337 .2500 .72 .0600  .0587  .0243  .0970 -.0056  .0076  .0015
CsA   .7125 .6337 .2500 .07 .0600  .0587  .0243  .0970 -.0056  .0076  .0015
O1    .6193 .9387 .2484     .0304  .0136  .0288  .0487  .0007  .0011  .0016
O2    .1196 .8883 .2496     .0309  .0148  .0249  .0529 -.0020  .0012  .0007
O3    .7474 .8015 .1873     .0285  .0396  .0323  .0135 -.0067 -.0005 -.0032
O4    .7459 .8033 .3126     .0290  .0361  .0359  .0149 -.0067  .0005  .0038
O5    .2490 .5250 .1883     .0284  .0396  .0322  .0135 -.0049 -.0002  .0051
O6    .2570 .5256 .3121     .0289  .0392  .0343  .0132 -.0082  .0012 -.0031
O7    .5277 .7173 .4212     .0166  .0099  .0113  .0286 -.0008 -.0001  .0040
O8    .4265 .7727 .0724     .0164  .0128  .0118  .0245 -.0031 -.0022  .0045
O9    .9724 .7173 .0774     .0169  .0104  .0105  .0298  .0008 -.0006 -.0034
O10   .0730 .7729 .4273     .0172  .0130  .0127  .0257  .0032 -.0015 -.0046
O11   .0314 .4656 .4312     .0144  .0095  .0113  .0223  .0000  .0006  .0033
O12  -.0836 .5250 .0727     .0154  .0107  .0100  .0256 -.0017 -.0035  .0025
O13   .4690 .4660 .0690     .0155  .0090  .0123  .0252  .0005  .0000 -.0039
O14   .5844 .5251 .4275     .0160  .0102  .0119  .0259  .0015 -.0026 -.0018
O15   .6346 .8830 .4346     .0169  .0137  .0094  .0276 -.0016  .0059 -.0023
O16   .8666 .8830 .0662     .0162  .0144  .0083  .0259  .0018  .0051  .0015
O17   .1332 .6311 .4179     .0172  .0115  .0093  .0310 -.0013  .0025 -.0010
O18   .3680 .6313 .0836     .0180  .0115  .0111  .0313  .0004  .0023  .0017
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Sekaninaite
Download hom/sekaninaite.pdf
Radica F, Capitelli F, Bellatreccia F, Della Ventura G, Cavallo A,
Piccinini M, Hawthorne F C
 
Mineralogical Magazine 77 (2013) 485-498
Spectroscopy and X-ray structure refinement of sekaninaite
from Dolni Bory (Czech Republic)
Locality: Dolni Bory, Czech Republic
_database_code_amcsd 0020088
17.2340 9.8457 9.3463 90 90 90 Cccm
atom      x       y      z  occ   Uiso
Na        0       0      0 .203   .035
MgM  .33688       0    .25 .035 .01448
FeM  .33688       0    .25 .873 .01448
LiM  .33688       0    .25  .09 .01448
AlT4    .25     .25 .25011      .01421
AlT5 .04972  .30757      0      .01298
SiT1      0      .5    .25       .0136
SiT2 .18999  .07921      0      .01273
SiT3 .13471  .76594      0      .01270
O1   .24402  .89508 .35809       .0166
O2   .06074  .58523 .34885       .0165
O3   .82705  .69477 .35782       .0167
O4   .04328   .7543      0       .0210
O5   .11931  .18336      0       .0209
O6   .16213 -.07670      0       .0204
O7    .0580       0    .25  .03   .069
Wat8      0       0    .25  .62   .101
C8        0       0    .25  .03   .101
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Fluoro-pargasite
 
Della Ventura G, Bellatreccia F, Camara F, Oberti R
 
Mineralogical Magazine 78 (2014) 293-310
Crystal-chemistry and short-range order of fluoro-edenite and fluoro-pargasite:
a combined X-ray diffraction and FTIR spectroscopic approach
Note: Sample J9698
Locality: Edenville, Orange County, New York, USA
_database_code_amcsd 0020429
9.849 17.973 5.2867 90 105.17 90 C2/m
atom      x      y      z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
CaA       0     .5      0 .002 1.13  .0025  .0010  .0143      0  .0046      0
NaA       0     .5      0  .16 1.13  .0025  .0010  .0143      0  .0046      0
KA        0     .5      0 .022 1.13  .0025  .0010  .0143      0  .0046      0
CaAm .04390     .5 .09781 .002 2.77  .0056  .0029  .0242      0  .0032      0
NaAm .04390     .5 .09781  .16 2.77  .0056  .0029  .0242      0  .0032      0
KAm  .04390     .5 .09781 .022 2.77  .0056  .0029  .0242      0  .0032      0
CaA2      0 .47334      0 .002 2.78  .0090  .0010  .0513      0  .0198      0
NaA2      0 .47334      0  .16 2.78  .0090  .0010  .0513      0  .0198      0
KA2       0 .47334      0 .022 2.78  .0090  .0010  .0513      0  .0198      0
MgM1      0 .08902     .5 .842  .59  .0017  .0004  .0055      0  .0006      0
AlM1      0 .08902     .5 .092  .59  .0017  .0004  .0055      0  .0006      0
TiM1      0 .08902     .5  .01  .59  .0017  .0004  .0055      0  .0006      0
FeM1      0 .08902     .5 .042  .59  .0017  .0004  .0055      0  .0006      0
MgM2      0 .17586      0 .842  .56  .0014  .0004  .0059      0  .0005      0
AlM2      0 .17586      0 .092  .56  .0014  .0004  .0059      0  .0005      0
TiM2      0 .17586      0  .01  .56  .0014  .0004  .0059      0  .0005      0
FeM2      0 .17586      0 .042  .56  .0014  .0004  .0059      0  .0005      0
MgM3      0      0      0 .842  .61  .0017  .0004  .0057      0  .0002      0
AlM3      0      0      0 .092  .61  .0017  .0004  .0057      0  .0002      0
TiM3      0      0      0  .01  .61  .0017  .0004  .0057      0  .0002      0
FeM3      0      0      0 .042  .61  .0017  .0004  .0057      0  .0002      0
CaM4      0 .27913     .5       .77  .0023  .0005  .0086      0  .0020      0
SiT1 .28097 .08495 .30239 .825  .47  .0010  .0004  .0050      0  .0001      0
AlT1 .28097 .08495 .30239 .175  .47  .0010  .0004  .0050      0  .0001      0
SiT2 .29018 .17274 .81150 .825  .50  .0011  .0004  .0050      0  .0005  .0001
AlT2 .29018 .17274 .81150 .175  .50  .0011  .0004  .0050      0  .0005  .0001
O1   .10789 .08660 .21813       .71  .0017  .0007  .0060 -.0003  .0006 -.0004
O2   .11909 .17190 .73121       .67  .0013  .0005  .0074      0      0  .0001
OH3  .10565      0 .71408  .29  .88  .0024  .0006  .0091      0  .0009      0
F3   .10565      0 .71408 .705  .88  .0024  .0006  .0091      0  .0009      0
Cl3  .10565      0 .71408 .005  .88  .0024  .0006  .0091      0  .0009      0
O4   .36574 .25033 .79079       .86  .0026  .0006  .0094 -.0002  .0020 -.0001
O5   .34988 .13859 .10929       .94  .0019  .0010  .0079  .0001  .0002  .0010
O6   .34506 .11758 .60568       .91  .0017  .0008  .0102      0  .0008 -.0008
O7   .34247      0 .28354      1.07  .0023  .0007  .0136      0  .0005      0
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Fluoro-pargasite
 
Della Ventura G, Bellatreccia F, Camara F, Oberti R
 
Mineralogical Magazine 78 (2014) 293-310
Crystal-chemistry and short-range order of fluoro-edenite and fluoro-pargasite:
a combined X-ray diffraction and FTIR spectroscopic approach
Note: Sample FK1
Locality: Edenville, Orange County, New York, USA
_database_code_amcsd 0020430
9.862 17.998 5.2942 90 105.17 90 C2/m
atom      x      y      z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
NaA       0     .5      0  .15 1.49  .0036  .0013  .0201      0  .0071      0
KA        0     .5      0 .026 1.49  .0036  .0013  .0201      0  .0071      0
NaAm .04528     .5 .10067  .15 2.52  .0037  .0035  .0160      0  .0017      0
KAm  .04528     .5 .10067 .026 2.52  .0037  .0035  .0160      0  .0017      0
NaA2      0 .47294      0  .15 1.87  .0054  .0012  .0289      0  .0116      0
KA2       0 .47294      0 .026 1.87  .0054  .0012  .0289      0  .0116      0
MgM1      0 .08910     .5 .818  .54  .0015  .0004  .0061      0  .0012      0
AlM1      0 .08910     .5 .092  .54  .0015  .0004  .0061      0  .0012      0
TiM1      0 .08910     .5 .008  .54  .0015  .0004  .0061      0  .0012      0
ZnM1      0 .08910     .5 .002  .54  .0015  .0004  .0061      0  .0012      0
FeM1      0 .08910     .5 .074  .54  .0015  .0004  .0061      0  .0012      0
MgM2      0 .17601      0 .818  .50  .0012  .0003  .0064      0  .0010      0
AlM2      0 .17601      0 .092  .50  .0012  .0003  .0064      0  .0010      0
TiM2      0 .17601      0 .008  .50  .0012  .0003  .0064      0  .0010      0
ZnM2      0 .17601      0 .002  .50  .0012  .0003  .0064      0  .0010      0
FeM2      0 .17601      0 .074  .50  .0012  .0003  .0064      0  .0010      0
MgM3      0      0      0 .818  .51  .0014  .0003  .0056      0  .0006      0
AlM3      0      0      0 .092  .51  .0014  .0003  .0056      0  .0006      0
TiM3      0      0      0 .008  .51  .0014  .0003  .0056      0  .0006      0
ZnM3      0      0      0 .002  .51  .0014  .0003  .0056      0  .0006      0
FeM3      0      0      0 .074  .51  .0014  .0003  .0056      0  .0006      0
CaM4      0 .27916     .5       .76  .0022  .0005  .0097      0  .0026      0
SiT1 .28064 .08506 .30189 .825  .41  .0008  .0003  .0055      0  .0007      0
AlT1 .28064 .08506 .30189 .175  .41  .0008  .0003  .0055      0  .0007      0
SiT2 .29019 .17281 .81134 .825  .44  .0009  .0004  .0055      0  .0009  .0001
AlT2 .29019 .17281 .81134 .175  .44  .0009  .0004  .0055      0  .0009  .0001
O1   .10783 .08689 .21743       .68  .0015  .0006  .0069 -.0003  .0013 -.0003
O2   .11931 .17229 .73105       .62  .0011  .0004  .0085      0  .0007  .0002
O3   .10663      0 .71453   .4  .83  .0022  .0006  .0096      0  .0016      0
F3   .10663      0 .71453  .59  .83  .0022  .0006  .0096      0  .0016      0
Cl3  .10663      0 .71453 .015  .83  .0022  .0006  .0096      0  .0016      0
O4   .36594 .25021 .79092       .79  .0023  .0005  .0096 -.0002  .0023 -.0001
O5   .34955 .13877 .10874       .89  .0018  .0008  .0086      0  .0007  .0009
O6   .34470 .11753 .60525       .86  .0016  .0007  .0108  .0001  .0015 -.0008
O7   .34173      0 .28363      1.04  .0021  .0005  .0154      0  .0010      0
H    .17631      0 .74434   .4 1.00 1.0000      0      0      0      0      0
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Fluoro-edenite
 
Della Ventura G, Bellatreccia F, Camara F, Oberti R
 
Mineralogical Magazine 78 (2014) 293-310
Crystal-chemistry and short-range order of fluoro-edenite and fluoro-pargasite:
a combined X-ray diffraction and FTIR spectroscopic approach
Note: Sample C2552
Locality: Sterling Hill, Ogdensburg, New Jersey, USA
_database_code_amcsd 0020431
9.865 18.026 5.2836 90 105.013 90 C2/m
atom        x      y      z   occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
NaA         0     .5      0  .176 2.24  .0067  .0020  .0210      0  .0079      0
KA          0     .5      0   .01 2.24  .0067  .0020  .0210      0  .0079      0
NaAm   .04635     .5 .10415  .176 2.10  .0046  .0025  .0148      0  .0038      0
KAm    .04635     .5 .10415   .01 2.10  .0046  .0025  .0148      0  .0038      0
NaA2        0 .47156      0  .176 2.77  .0099  .0008  .0505      0  .0207      0
KA2         0 .47156      0   .01 2.77  .0099  .0008  .0505      0  .0207      0
MgM1        0 .08864     .5  .868  .53  .0018  .0004  .0042      0  .0011      0
AlM1        0 .08864     .5  .018  .53  .0018  .0004  .0042      0  .0011      0
Fe3+M1      0 .08864     .5   .01  .53  .0018  .0004  .0042      0  .0011      0
TiM1        0 .08864     .5  .008  .53  .0018  .0004  .0042      0  .0011      0
ZnM1        0 .08864     .5  .002  .53  .0018  .0004  .0042      0  .0011      0
Fe2+M1      0 .08864     .5  .098  .53  .0018  .0004  .0042      0  .0011      0
MnM1        0 .08864     .5  .002  .53  .0018  .0004  .0042      0  .0011      0
MgM2        0 .17620      0  .868  .49  .0015  .0004  .0046      0  .0010      0
AlM2        0 .17620      0  .018  .49  .0015  .0004  .0046      0  .0010      0
Fe3+M2      0 .17620      0   .01  .49  .0015  .0004  .0046      0  .0010      0
TiM2        0 .17620      0  .008  .49  .0015  .0004  .0046      0  .0010      0
ZnM2        0 .17620      0  .002  .49  .0015  .0004  .0046      0  .0010      0
Fe2+M2      0 .17620      0  .098  .49  .0015  .0004  .0046      0  .0010      0
MnM2        0 .17620      0  .002  .49  .0015  .0004  .0046      0  .0010      0
MgM3        0      0      0  .868  .54  .0017  .0004  .0049      0  .0007      0
AlM3        0      0      0  .018  .54  .0017  .0004  .0049      0  .0007      0
Fe3+M3      0      0      0   .01  .54  .0017  .0004  .0049      0  .0007      0
TiM3        0      0      0  .008  .54  .0017  .0004  .0049      0  .0007      0
ZnM3        0      0      0  .002  .54  .0017  .0004  .0049      0  .0007      0
Fe2+M3      0      0      0  .098  .54  .0017  .0004  .0049      0  .0007      0
MnM3        0      0      0  .002  .54  .0017  .0004  .0049      0  .0007      0
CaM4        0 .27848     .5   .48  .79  .0027  .0005  .0088      0  .0029      0
NaM4        0 .27848     .5 .0125  .79  .0027  .0005  .0088      0  .0029      0
CaM4'       0 .25755     .5   .48  .94  .9352      0      0      0      0      0
NaM4'       0 .25755     .5 .0125  .94  .9352      0      0      0      0      0
SiT1   .28091 .08455 .30040 .8575  .44  .0012  .0003  .0042      0  .0006      0
AlT1   .28091 .08455 .30040 .1425  .44  .0012  .0003  .0042      0  .0006      0
SiT2   .28960 .17200 .80821 .8575  .45  .0012  .0004  .0040      0  .0007      0
AlT2   .28960 .17200 .80821 .1425  .45  .0012  .0004  .0040      0  .0007      0
O1     .10962 .08564 .21880        .62  .0016  .0006  .0050 -.0001  .0008 -.0002
O2     .11978 .17135 .72712        .61  .0013  .0006  .0058      0  .0006      0
O3     .10625      0 .71453   .34  .86  .0025  .0007  .0080      0  .0015      0
F3     .10625      0 .71453  .655  .86  .0025  .0007  .0080      0  .0015      0
Cl3    .10625      0 .71453  .005  .86  .0025  .0007  .0080      0  .0015      0
O4     .36481 .24920 .78973        .79  .0026  .0005  .0078 -.0003  .0018 -.0001
O5     .34894 .13711 .10513        .93  .0019  .0010  .0076      0  .0007  .0010
O6     .34560 .11700 .60216        .86  .0018  .0008  .0090      0  .0011 -.0008
O7     .34273      0 .28313       1.02  .0024  .0007  .0124      0  .0013      0
H      .19118      0 .75125   .34 1.00 1.0000      0      0      0      0      0
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Fluoro-edenite
 
Della Ventura G, Bellatreccia F, Camara F, Oberti R
 
Mineralogical Magazine 78 (2014) 293-310
Crystal-chemistry and short-range order of fluoro-edenite and fluoro-pargasite:
a combined X-ray diffraction and FTIR spectroscopic approach
Note: Sample GE408
Locality: Limecrest-Southdown Quarry, Sparta, New Jersey, USA
_database_code_amcsd 0020432
9.871 18.033 5.2805 90 104.97 90 C2/m
atom       x      y      z   occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
CaA        0     .5      0  .006 1.73  .0047  .0012  .0232      0  .0069      0
NaA        0     .5      0   .13 1.73  .0047  .0012  .0232      0  .0069      0
KA         0     .5      0  .022 1.73  .0047  .0012  .0232      0  .0069      0
CaAm  .04458     .5 .09785  .006 2.04  .0047  .0019  .0222      0  .0060      0
NaAm  .04458     .5 .09785   .13 2.04  .0047  .0019  .0222      0  .0060      0
KAm   .04458     .5 .09785  .022 2.04  .0047  .0019  .0222      0  .0060      0
CaA2       0 .47231      0  .006 2.87  .0103  .0005  .0549      0  .0206      0
NaA2       0 .47231      0   .13 2.87  .0103  .0005  .0549      0  .0206      0
KA2        0 .47231      0  .022 2.87  .0103  .0005  .0549      0  .0206      0
MgM1       0 .08840     .5   .95  .48  .0016  .0004  .0042      0  .0010      0
AlM1       0 .08840     .5  .012  .48  .0016  .0004  .0042      0  .0010      0
TiM1       0 .08840     .5  .002  .48  .0016  .0004  .0042      0  .0010      0
FeM1       0 .08840     .5  .036  .48  .0016  .0004  .0042      0  .0010      0
MnM1       0 .08840     .5  .002  .48  .0016  .0004  .0042      0  .0010      0
MgM2       0 .17610      0   .95  .43  .0013  .0003  .0043      0  .0009      0
AlM2       0 .17610      0  .012  .43  .0013  .0003  .0043      0  .0009      0
TiM2       0 .17610      0  .002  .43  .0013  .0003  .0043      0  .0009      0
FeM2       0 .17610      0  .036  .43  .0013  .0003  .0043      0  .0009      0
MnM2       0 .17610      0  .002  .43  .0013  .0003  .0043      0  .0009      0
MgM3       0      0      0   .95  .48  .0015  .0003  .0046      0  .0007      0
AlM3       0      0      0  .012  .48  .0015  .0003  .0046      0  .0007      0
TiM3       0      0      0  .002  .48  .0015  .0003  .0046      0  .0007      0
FeM3       0      0      0  .036  .48  .0015  .0003  .0046      0  .0007      0
MnM3       0      0      0  .002  .48  .0015  .0003  .0046      0  .0007      0
CaM4       0 .27840     .5 .4975  .73  .0026  .0005  .0083      0  .0029      0
CaM4'      0 .25650     .5 .4975  .40  .3981      0      0      0      0      0
SiT1  .28028 .08445 .29996 .8863  .39  .0010  .0003  .0039      0  .0005      0
AlT1  .28028 .08445 .29996 .1137  .39  .0010  .0003  .0039      0  .0005      0
SiT2  .28905 .17190 .80750 .8863  .40  .0011  .0003  .0039 -.0001  .0007      0
AlT2  .28905 .17190 .80750 .1137  .40  .0011  .0003  .0039 -.0001  .0007      0
O1    .10980 .08556 .21899        .52  .0014  .0004  .0048 -.0001  .0007 -.0001
O2    .11931 .17125 .72617        .53  .0011  .0005  .0052      0  .0007      0
O3    .10653      0 .71504   .43  .77  .0022  .0006  .0078      0  .0014      0
F3    .10653      0 .71504   .57  .77  .0022  .0006  .0078      0  .0014      0
Cl3   .10653      0 .71504  .005  .77  .0022  .0006  .0078      0  .0014      0
O4    .36476 .24882 .79029        .73  .0022  .0005  .0078 -.0003  .0017 -.0002
O5    .34799 .13643 .10432        .82  .0017  .0009  .0066      0  .0005  .0008
O6    .34494 .11723 .59980        .77  .0016  .0007  .0079      0  .0011 -.0007
O7    .34091      0 .28617        .95  .0022  .0005  .0128      0  .0008      0
H     .19406      0 .77619   .43 1.00 1.0000      0      0      0      0      0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Fluoro-edenite
 
Della Ventura G, Bellatreccia F, Camara F, Oberti R
 
Mineralogical Magazine 78 (2014) 293-310
Crystal-chemistry and short-range order of fluoro-edenite and fluoro-pargasite:
a combined X-ray diffraction and FTIR spectroscopic approach
Note: Sample G405
Locality: Franklin Quarry, Franklin, New Jersey, USA
_database_code_amcsd 0020433
9.866 17.987 5.2817 90 105.16 90 C2/m
atom      x      y      z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
NaA       0     .5      0 .142 1.31  .0035  .0013  .0110      0  .0029      0
KA        0     .5      0  .04 1.31  .0035  .0013  .0110      0  .0029      0
NaAm .04096     .5 .09011 .142 1.79  .0035  .0020  .0158      0  .0037      0
KAm  .04096     .5 .09011  .04 1.79  .0035  .0020  .0158      0  .0037      0
NaA2      0 .47381      0 .142 2.80  .0081  .0009  .0544      0  .0185      0
KA2       0 .47381      0  .04 2.80  .0081  .0009  .0544      0  .0185      0
MgM1      0 .08891     .5 .876  .54  .0016  .0004  .0053      0  .0012      0
AlM1      0 .08891     .5 .072  .54  .0016  .0004  .0053      0  .0012      0
TiM1      0 .08891     .5 .002  .54  .0016  .0004  .0053      0  .0012      0
ZnM1      0 .08891     .5 .002  .54  .0016  .0004  .0053      0  .0012      0
FeM1      0 .08891     .5  .04  .54  .0016  .0004  .0053      0  .0012      0
MgM2      0 .17599      0 .876  .48  .0014  .0003  .0051      0  .0010      0
AlM2      0 .17599      0 .072  .48  .0014  .0003  .0051      0  .0010      0
TiM2      0 .17599      0 .002  .48  .0014  .0003  .0051      0  .0010      0
ZnM2      0 .17599      0 .002  .48  .0014  .0003  .0051      0  .0010      0
FeM2      0 .17599      0  .04  .48  .0014  .0003  .0051      0  .0010      0
MgM3      0      0      0 .876  .56  .0017  .0004  .0051      0  .0007      0
AlM3      0      0      0 .072  .56  .0017  .0004  .0051      0  .0007      0
TiM3      0      0      0 .002  .56  .0017  .0004  .0051      0  .0007      0
ZnM3      0      0      0 .002  .56  .0017  .0004  .0051      0  .0007      0
FeM3      0      0      0  .04  .56  .0017  .0004  .0051      0  .0007      0
CaM4      0 .27890     .5 .985  .77  .0025  .0005  .0088      0  .0027      0
NaM4      0 .27890     .5 .015  .77  .0025  .0005  .0088      0  .0027      0
SiT1 .28035 .08485 .30195  .85  .45  .0011  .0004  .0048      0  .0006      0
AlT1 .28035 .08485 .30195  .15  .45  .0011  .0004  .0048      0  .0006      0
SiT2 .28958 .17255 .81030  .85  .47  .0012  .0004  .0048      0  .0009  .0001
AlT2 .28958 .17255 .81030  .15  .47  .0012  .0004  .0048      0  .0009  .0001
O1   .10841 .08626 .21841       .65  .0016  .0006  .0060 -.0002  .0012 -.0002
O2   .11929 .17170 .72925       .64  .0013  .0005  .0076      0  .0009  .0001
O3   .10541      0 .71403 .265  .83  .0024  .0006  .0084      0  .0016      0
F3   .10541      0 .71403  .73  .83  .0024  .0006  .0084      0  .0016      0
Cl3  .10541      0 .71403 .005  .83  .0024  .0006  .0084      0  .0016      0
O4   .36519 .24981 .79128       .81  .0025  .0006  .0090 -.0002  .0024 -.0002
O5   .34897 .13769 .10746       .92  .0018  .0010  .0078  .0001  .0007  .0011
O6   .34497 .11765 .60348       .86  .0019  .0007  .0095      0  .0013 -.0008
O7   .34135      0 .28689      1.06  .0022  .0007  .0138      0  .0007      0
H    .17242      0 .77762 .265 1.00 1.0000      0      0      0      0      0
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Wavellite
Download hom/wavellite.pdf
Capitelli F, Della Ventura G, Bellatreccia F, Sodo A,
Saviano M, Ghiara M R, Rossi M
 
Mineralogical Magazine 78 (2014) 1057-1070
Crystal-chemical study of wavellite from Zbirov, Czech Republic
Locality: Zbirov, Bohemia, Czech Republic
_database_code_amcsd 0020531
9.6422 17.4146 7.0094 90 90 90 Pcmn
atom       x      y      z occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Al1   .22502    .25 .11911     .00974  .0112  .0098  .0082       0  -.0008       0
Al2   .75616 .01635 .14187     .00775  .0082  .0094  .0057  .00003  .00032  .00030
P1    .06085 .09214 .10391     .00734  .0072  .0077  .0071 -.00039 -.00006 -.00049
O1    .90402 .08397 .06528      .0101  .0079  .0130  .0093  -.0011  -.0008   .0021
O2    .09039 .17630 .15711      .0160  .0162  .0109  .0209  -.0036   .0054  -.0054
O3    .10073 .04106 .27381      .0120  .0102  .0169  .0089   .0022  -.0005   .0033
O4    .35920 .07188 .42091      .0107  .0126  .0102  .0092  -.0018  -.0016   .0007
O5    .28790    .25  .3630 .47  .0252  .0256  .0394  .0106       0  -.0047       0
F5    .28790    .25  .3630 .53  .0252  .0256  .0394  .0106       0  -.0047       0
O6    .82065 .01802 .39536      .0109  .0084  .0174  .0068  -.0009   .0004   .0004
O7    .37150 .17066  .0839      .0268  .0210  .0260  .0333   .0054  -.0042  -.0057
O8    .65041 .11101 .19903      .0146  .0162  .0148  .0128   .0036   .0023   .0014
Wat9   .8092    .25   .232 .54   .052   .042   .036   .078       0    .006       0
Wat10  .7813    .25   .110 .56   .058   .067   .028   .078       0    .022       0
H5      .385    .25    .34 .47   .128
H6     .9158  .0287   .390       .046
H71     .383   .139   .193        .15
H72     .368   .153  -.043       .110
H81     .630  .1071  .3296       .048
H82     .705  .1550   .180       .107
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Total number of retrieved datasets: 21
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