American Mineralogist Crystal Structure Database

50 matching records for this search.

Pitiglianoite
Download hom/pitiglianoite.pdf
Merlino S, Mellini M, Bonaccorsi E, Pasero M, Leoni L, Orlandi P
Download am/vol76/AM76_2003.pdf
American Mineralogist 76 (1991) 2003-2008
Pitiglianoite, a new feldspathoid from southern Tuscany, Italy: Chemical
composition and crystal structure
_database_code_amcsd 0001438
22.121 22.121 5.221 90 90 120 P6_3
atom     x      y     z  occ  Uiso
Si1  .8334  .2506 .2864      .0069
Si2  .9141  .4983 .7875      .0082
Si3  .9159  .7503 .7865      .0082
Al1  .9144  .1650 .2858      .0072
Al2  .9183  .4205 .2876      .0082
Al3  .8298  .5828 .7891      .0100
O1   .8673  .5334 .7190       .014
O2   .9988  .7978 .7183       .013
O3   .8694  .3332 .2188       .014
O4   .8947  .6691 .7654       .021
O5   .9956  .5592 .7669       .025
O6   .8939  .2302 .2570       .019
O7   .7703  .2090 .0842       .019
O8   .8944  .4344 .5875       .013
O9   .8977  .1256 .5829       .012
O10  .8945  .4639 .0721       .017
O11  .8686  .0978 .0701       .018
O12  .7995  .2373 .5719       .019
Na   .3342  .3334 .6619       .037
Wat1 .3091  .3072 .2324 .333  .073
Wat2 .3618  .3290 .2285 .333  .035
Wat3 .3373  .3509 .2238 .333  .091
K1   .7790  .4461 .3241 .667  .032
Na1  .7790  .4461 .3241 .333  .032
Na1  .6660  .4844 .8171       .022
S1     2/3    1/3 .8207       .038
OA1  .7041  .3444 .5860 .333   .20
OB1  .7241  .3319 .9715       .095
K2   .9997  .1119 .8286 .667 .0285
Na2  .9997  .1119 .8286 .333 .0285
Na2  .8495 -.0001 .3219      .0164
S2       0      0 .3375   .5  .036
OA2  .0269  .0387 .5661 .167   .13
OB2  .0584  .0569 .1804   .5  .104
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View JMOL 3-D Structure (permalink)
 
Clinotobermorite
Download hom/clinotobermorite.pdf
Merlino S, Bonaccorsi E, Armbruster T
Download am/vol84/AM84_1613.pdf
American Mineralogist 84 (1999) 1613-1621
Tobermorites: Their real structure and order-disorder (OD) character
_database_code_amcsd 0002328
11.274 7.344 11.468 99.18 97.19 90.03 C1
atom       x      y      z  Uiso
Si1    .8931  .2046  .1839 .0014
Si1A  -.8941 -.2096 -.1841 .0014
Si2    .9963 -.0362  .3553 .0056
Si2A  -.9950  .0383 -.3608 .0056
Si3    .8949 -.3726  .1869 .0018
Si3A  -.8946  .3688 -.1859 .0018
O1      .913   .124   .310  .013
O1A    -.916  -.128  -.309  .013
O11     .919  -.229   .316  .010
O11A   -.912   .227  -.309  .010
O2      .771  -.343   .115  .004
O2A    -.767   .348  -.108  .004
O21     .765   .149   .106  .008
O21A   -.767  -.151  -.111  .008
O3      .005  -.355   .111  .005
O3A     .003   .357  -.106  .005
O31     .002   .155   .099  .004
O31A    .005  -.161  -.105  .004
O4      .891   .431   .237  .009
O4A    -.895  -.432  -.238  .009
O5      .009  -.002   .497  .014
O6      .127  -.041   .311  .014
O6A    -.124   .053  -.319  .014
Wat6   -.335  -.051  -.683  .092
Wat6A   .342   .043   .699  .092
Ca1    .3640  .1072  .9228 .0023
Ca1A  -.3634 -.1042 -.9134 .0023
Ca3    .8679  .0998  .8981 .0024
Ca3A  -.8711 -.1001 -.9069 .0024
Ca2    .3113 -.0177  .4289  .025
Wat5    .514   .009   .511  .023
Wat7    .260  -.238   .537  .054
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Tobermorite
Download hom/tobermorite.pdf
Merlino S, Bonaccorsi E, Armbruster T
Download am/vol84/AM84_1613.pdf
American Mineralogist 84 (1999) 1613-1621
Tobermorites: Their real structure and order-disorder (OD) character
Sample: 9 Angstrom
_database_code_amcsd 0002329
11.156 7.303 9.566 101.08 92.83 89.98 C-1
atom     x      y      z  Uiso
Si1  .3859  .2158  .2234  .013
Si2  .3181 -.0193  .4343  .025
Si3  .3883  .6416  .2173  .015
O1    .390   .150   .377  .030
O11   .390  -.209   .371  .024
O2    .499   .663   .121  .024
O21   .502   .152   .136  .018
O3    .268   .649   .118  .013
O31   .267   .163   .133  .018
O4    .403   .441   .277  .022
O6    .179  -.040   .384  .041
OH6   .152   .488   .390  .050
Ca1  .3713  .0981 -.1040  .017
Ca2   .499   .460   .502  .035
Ca3  .3647  .5966 -.1175  .017
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Tobermorite
Download hom/tobermorite.pdf
Merlino S, Bonaccorsi E, Armbruster T
Download am/vol84/AM84_1613.pdf
American Mineralogist 84 (1999) 1613-1621
Tobermorites: Their real structure and order-disorder (OD) character
Sample: 11 Angstrom
_database_code_amcsd 0002330
6.735 7.385 22.487 90 90 123.25 Bm
atom     x     y      z  Uiso
Si1  .7581 .3862 .15738 .0054
Si2  .9087 .7531 .07116 .0086
Si3  .7592 .9697 .15773 .0056
O1    .771 .5059  .0942  .014
O2    .759  .178  .1327 .0127
O3    .985 .5369  .1982 .0090
O4    .519 .3063  .1942  .012
O5    .894  .746      0  .017
OH6   .188  .893  .0940  .018
Wat6  .270  .434  .0939  .045
O7    .770  .860  .0951  .015
O8    .523 .8110  .1951  .011
O9    .987 .0459  .1985  .010
Ca1  .2651 .4328 .20557 .0085
Ca3  .7499 .9228 .29348 .0074
Wat1  .427  .219      0   .14
Wat2  .879  .237      0  .061
Wat3  .422  .800      0   .13
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Cualstibite
Download hom/cualstibite.pdf
Bonaccorsi E, Merlino S, Orlandi P
Download am/vol92/AM92_198.pdf
American Mineralogist 92 (2007) 198-203
Zincalstibite, a new mineral, and cualstibite: Crystal chemical and structural
relationships
Locality: Apuan Alps, Tuscany, Italy
_database_code_amcsd 0004272
9.150 9.150 9.745 90 90 120 P-3
atom     x      y      z occ  Uiso
Cu   .6717  .0095  .5005     .0241
Al1      0      0     .5     .0104
Al2    1/3    2/3  .5045     .0121
Sb1      0      0      0     .0217
Sb2    1/3    2/3  .0034     .0229
O1   .5190  .8286  .1248 .88  .030
O2   .1172  .2044  .6020      .035
O3   .5035  .6575 -.1110 .88  .028
O4   .0155 -.1669 -.1180 .88  .034
O5   .5415  .7876  .4037      .025
O6   .1261  .5431  .6049      .025
O1A   .829   .518   .874 .12   .04
O3A   .658   .503   .111 .12   .04
O4A   .833   .015   .118 .12   .04
H1    .471   .901   .108       .04
H2    .204   .087   .294       .04
H3    .579   .779  -.085       .04
H4    .741   .843   .097       .04
H5    .542   .789   .300       .04
H6    .542   .416   .292       .04
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Zincalstibite
 
Bonaccorsi E, Merlino S, Orlandi P
Download am/vol92/AM92_198.pdf
American Mineralogist 92 (2007) 198-203
Zincalstibite, a new mineral, and cualstibite: Crystal chemical and structural
relationships
Locality: Lucchetti marble quarry, Fantiscritti marble basin, Carrara, Apuan
Alps, Tuscany, Italy
_database_code_amcsd 0004273
5.3270 5.3270 9.792 90 90 120 P-3
atom     x    y      z occ Uiso
Zn     1/3  2/3  .5002 .81 .012
Al     1/3  2/3  .5002 .19 .012
Al       0    0     .5 .63 .008
Zn       0    0     .5 .37 .008
Sb       0    0      0     .017
O1    .317 .319  .3977     .011
O2   -.137 .207 -.1198     .026
H1    .336 .348   .308      .05
H2   -.289 .186  -.103      .05
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Vurroite
 
Pinto D, Bonaccorsi E, Balic-Zunic T, Makovicky E
Download am/vol93/AM93_713.pdf
American Mineralogist 93 (2008) 713-727
The crystal structure of vurroite, Pb20Sn2(Bi,As)22S54Cl6: OD-character,
polytypism, twinning, and modular description
Locality: Vulcano, Aeolian Islands, Italy
_database_code_amcsd 0004570
8.371 45.502 27.273 90 98.83 90 C2/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)
PbM1  .3838 .12038 .50934       .0486   .045   .059  .0410   .006   .003 -.0032
PbM2  .8798 .11928 .50973       .0507   .049   .060  .0428   .013   .004 -.0049
PbM3  .3037 .07225 .36465       .0577   .045   .049   .077 -.0009   .006 -.0146
PbM4  .8105 .07164 .36639       .0552   .045   .049   .069  -.002   .003  -.013
PbM5  .3094 .16778 .36618       .0567   .050   .050   .072  -.001   .013  .0202
PbM6  .8079 .16868 .36905       .0581   .046   .050   .078  -.003   .008  .0238
PbM7  .7387 .99299 .74970   .80 .0607   .040   .097  .0457  -.014   .008  -.003
BiM7  .7387 .99299 .74970   .20 .0607   .040   .097  .0457  -.014   .008  -.003
PbM8  .7385 .22831 .25004   .60 .0437   .038  .0541  .0396 -.0054   .007 -.0007
BiM8  .7385 .22831 .25004   .40 .0437   .038  .0541  .0396 -.0054   .007 -.0007
PbM9  .9617 .09124 .66089       .0583   .049   .065   .060  -.006   .006  .0076
PbM10 .4553 .09208  .6680       .0845   .077   .076  .1140  -.002   .041  -.010
PbM11 .2326  .1776  .7445    .2 .0241
BiM11 .2396  .1635  .7444    .3 .0241
AsM11  .244  .1524  .7521    .5 .0241
SnM12 .0295 .12079  .2499   .36  .042
BiM12 .0295 .12079  .2499   .14  .042
SnM13 .5409 .12114  .2501   .36  .040
BiM13 .5409 .12114  .2501   .14  .040
BiM14 .5606 .25453 .37186       .0387   .036  .0406  .0411  -.006   .009 -.0070
AsM15 .4301 .25011  .6298        .037   .031   .028   .054   .007   .010  -.001
BiM16 .1190 .21064 .49487       .0594   .049   .088  .0438  -.005   .013 -.0017
AsM17 .6252 .20655  .4864       .0299   .031   .017   .047   .006   .023   .006
AsM18  .195  .1689  .6129   .81  .025
BiM18  .194  .1696  .6289   .19  .025
BiM19 .6726 .16939 .61481       .0632   .057   .079   .054  -.010   .006 -.0108
AsM20  .131  .0434  .5049   .62  .045
BiM20  .128  .0411  .4997   .38  .045
BiM21 .6265 .04028 .49896       .0437   .048  .0405  .0435  -.002   .010 -.0005
AsM22  .930  .0088  .6278   .78  .028
BiM22  .947   .009  .6114   .22  .028
BiM23 .4306 .00887 .62198       .0536   .052   .060  .0454   .003  -.003  .0066
S1     .172  .1181  .5939 .9643  .029
ClS1   .172  .1181  .5939 .0357  .029
S2     .664  .1147  .5847 .9643  .032
ClS2   .664  .1147  .5847 .0357  .032
S3     .096  .0854  .4484 .9643  .030
ClS3   .096  .0854  .4484 .0357  .030
S4     .600  .0885  .4509 .9643  .027
ClS4   .600  .0885  .4509 .0357  .027
S5     .105  .1603  .4476 .9643  .019
ClS5   .105  .1603  .4476 .0357  .019
S6     .609  .1603  .4556 .9643  .031
ClS6   .609  .1603  .4556 .0357  .031
S7     .456  .2929  .6726 .9643  .028
ClS7   .456  .2929  .6726 .0357  .028
S8     .542  .2059  .3204 .9643  .023
ClS8   .542  .2059  .3204 .0357  .023
S9     .040  .1209  .3418 .9643  .029
ClS9   .040  .1209  .3418 .0357  .029
S10    .535  .1213  .3419 .9643  .033
ClS10  .535  .1213  .3419 .0357  .033
S11    .044  .0338  .3236 .9643  .032
ClS11  .044  .0338  .3236 .0357  .032
S12    .460  .9647  .6828 .9643  .027
ClS12  .460  .9647  .6828 .0357  .027
S13    .763  .0817  .2498 .9643  .034
ClS13  .763  .0817  .2498 .0357  .034
S14    .760  .1602  .2492 .9643  .035
ClS14  .760  .1602  .2492 .0357  .035
S15    .369  .0606  .5512 .9643  .031
ClS15  .369  .0606  .5512 .0357  .031
S16    .935  .0615  .5523 .9643  .035
ClS16  .935  .0615  .5523 .0357  .035
S17    .621  .9818  .5659 .9643  .038
ClS17  .621  .9818  .5659 .0357  .038
S18    .808  .0180  .4326 .9643  .026
ClS18  .808  .0180  .4326 .0357  .026
S19    .756  .0350  .6684 .9643  .040
ClS19  .756  .0350  .6684 .0357  .040
S20    .160  .0345  .6696 .9643  .035
ClS20  .160  .0345  .6696 .0357  .035
S21    .263  .2285  .6726 .9643  .026
ClS21  .263  .2285  .6726 .0357  .026
S22    .660  .2280  .6722 .9643  .028
ClS22  .660  .2280  .6722 .0357  .028
S23    .392  .2273  .4410 .9643  .030
ClS23  .392  .2273  .4410 .0357  .030
S24    .798  .2259  .4406 .9643  .028
ClS24  .798  .2259  .4406 .0357  .028
S25    .358  .1844  .5599 .9643  .032
ClS25  .358  .1844  .5599 .0357  .032
S26    .952  .1856  .5605 .9643  .031
ClS26  .952  .1856  .5605 .0357  .031
S27    .926  .1563  .6817 .9643  .034
ClS27  .926  .1563  .6817 .0357  .034
S28    .508  .1526  .6830 .9643  .031
ClS28  .508  .1526  .6830 .0357  .031
Cl1      .5  .0372    .75        .032
Cl2       0  .2259    .75        .034
Cl3   .2420  .1024  .7423        .029
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Fukalite
Download hom/fukalite.pdf
Merlino S, Bonaccorsi E, Grabezhev A I, Zadov A E, Pertsev N N, Chukanov N V
Download am/vol94/AM94_323.pdf
American Mineralogist 94 (2009) 323-333
Fukalite: An example of an OD structure with two-dimensional disorder
Locality: Gumeshevsk skarn, Central Urals, Russia
_database_code_amcsd 0004836
7.573 23.364 11.544 90 109.15 90 P2_1/c
atom      x      y      z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca1   .4339  .0436  .1247 .012   .009   .014   .012   .000   .002   .000
Ca1A  .9391  .0437  .1237 .012   .008   .014   .011   .000   .002   .000
Ca4   .3111 -.0452  .3734 .012   .009   .015   .011   .000   .002   .000
Ca4A  .8112 -.0457  .3737 .013   .010   .015   .013   .000   .003   .001
Ca2   .2768 -.3094  .3037 .015   .012   .016   .013   .001   .000  -.001
Ca2A  .7776 -.3091  .3074 .014   .011   .015   .013   .000   .001   .000
Ca3   .5957 -.1932  .4398 .014   .011   .014   .013   .000   .000  -.001
Ca3A  .0963 -.1929  .4435 .014   .013   .016   .012   .000   .001  -.001
Si1   .4743 -.0860  .1237 .014   .014   .015   .013   .000   .002   .000
Si1A  .8998 -.0863  .1257 .014   .014   .014   .013   .001   .002   .000
Si2   .3946 -.2179  .1218 .015   .016   .016   .012   .001   .002   .000
Si2A  .9798 -.2182  .1274 .015   .016   .016   .012   .000   .002   .000
C1    .3117  .0816  .3764 .010
C1A   .8149  .0796  .3761 .011
O1    .1192  .0506 -.0049 .014
O1A   .6267  .0489 -.0037 .013
O2    .4915 -.0480  .2429 .013
O2A   .0014 -.0473  .2436 .013
O3    .3657  .0515  .4774 .016
O3A   .8632  .0496  .4773 .016
O4    .2616  .0538  .2740 .017
O4A   .7608  .0518  .2735 .016
O5    .3164  .1353  .3792 .020
O5A   .8143  .1332  .3786 .021
O6    .5335 -.2421  .2457 .019
O6A  -.0246 -.2432  .2542 .019
O7    .3967 -.2413 -.0067 .019
O7A   .8411 -.2409  .0017 .019
O8    .1865 -.2414  .1246 .019
O8A   .6880 -.1011  .1275 .021
O9    .3808 -.1479  .1236 .020
O9A   .9952 -.1482  .1311 .020
OH1   .3091 -.1443  .3736 .013
OH1A  .8174 -.1437  .3784 .013
OH2   .4434  .1423  .1298 .013
OH2A  .9347  .1434  .1242 .014
H1    .2763 -.1503  .2997 .050
H1A   .7735 -.1509  .2973 .050
H2    .3970  .1509  .0516 .050
H2A   .8984  .1479  .0450 .050
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Ambrinoite
 
Biagioni C, Bonaccorsi E, Pasero M, Moelo Y, Ciriotti M E, Bersani D,
Callegari A M, Boiocchi M
 
American Mineralogist 96 (2011) 878-887
Ambrinoite, (K,NH4)2(As,Sb)8S13*H2O, a new mineral from Upper Susa Valley,
Piedmont, Italy: The first natural (K,NH4)-hydrated sulfosalt
Locality: Upper Susa Valley, Piedmont, Italy
_database_code_amcsd 0019096
9.704 11.579 12.102 112.82 103.44 90.49 P-1
atom      x      y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K1    .6680  .3331  .6791 .83  .065   .048   .058   .095   .003   .007   .044
N1    .6680  .3331  .6791 .17  .065   .048   .058   .095   .003   .007   .044
H1    .6680  .3331  .6791 .68  .065   .048   .058   .095   .003   .007   .044
K2    .9242  .7592  .4774 .78  .073   .088   .061   .075   .007   .044   .020
N2    .9242  .7592  .4774 .22  .073   .088   .061   .075   .007   .044   .020
H2    .9242  .7592  .4774 .88  .073   .088   .061   .075   .007   .044   .020
SbM1 .39230 .64339 .83575 .54 .0344  .0361  .0278  .0425  .0030  .0154  .0142
AsM1 .39230 .64339 .83575 .46 .0344  .0361  .0278  .0425  .0030  .0154  .0142
SbM2 .01055 .14677 .83795 .57 .0369  .0341  .0298  .0500  .0023  .0109  .0192
AsM2 .01055 .14677 .83795 .43 .0369  .0341  .0298  .0500  .0023  .0109  .0192
AsM3 .66142 .98014 .71276     .0309  .0374  .0280  .0294  .0025  .0071  .0143
AsM4 .66440 .70477 .70910     .0302  .0369  .0269  .0280  .0012  .0062  .0135
AsM5 .24245 .92642 .96400 .92 .0354  .0396  .0292  .0350  .0018  .0088  .0108
SbM5 .24245 .92642 .96400 .08 .0354  .0396  .0292  .0350  .0018  .0088  .0108
AsM6 .00896 .64686 .82178 .80 .0358  .0327  .0285  .0451  .0024  .0087  .0143
SbM6 .00896 .64686 .82178 .20 .0358  .0327  .0285  .0451  .0024  .0087  .0143
AsM7 .38933 .14671 .82502 .75 .0362  .0357  .0302  .0476  .0060  .0153  .0180
SbM7 .38933 .14671 .82502 .25 .0362  .0357  .0302  .0476  .0060  .0153  .0180
AsM8 .23678 .42874 .94031     .0365  .0409  .0282  .0377  .0014  .0091  .0110
S1    .6161  .7814  .5576     .0323   .044   .027   .027   .001   .005   .014
S2    .3786  .3401  .8069     .0404   .047   .033   .054   .006   .023   .024
S3    .8204  .0599  .6437     .0321   .031   .035   .031  -.002   .006   .015
S4    .3974  .8510  .8382     .0371   .044   .031   .045   .004   .017   .021
S5    .4723  .5620  .6432     .0314   .037   .029   .028  -.002   .010   .010
S6    .0114  .3439  .8169     .0367   .036   .032   .045   .004   .005   .021
S7    .8220  .5719  .6362     .0323   .033   .029   .031   .004   .005   .010
S8    .4694  .0630  .6408     .0348   .038   .041   .030   .011   .010   .018
S9    .1611  .0573  .6991     .0368   .035   .030   .040   .002   .012   .010
S10   .1587  .5625  .6931     .0345   .033   .032   .035   .001   .009   .008
S11   .0192  .8485  .8258     .0392   .039   .030   .049   .003   .001   .021
S12   .2637  .2992  .0350     .0398   .040   .053   .031   .005   .007   .023
S13   .2578  .7763  .0381     .0348   .042   .033   .030   .004   .009   .014
Wat   .2172  .7496  .5286      .066   .087   .046   .050   .008  -.004   .014
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Lusernaite-(Y)
 
Biagioni C, Bonaccorsi E, Camara F, Cadoni M, Ciriotti M E, Bersani D, Kolitsch U
 
American Mineralogist 98 (2013) 1322-1329
Lusernaite-(Y), Y4Al(CO3)2(OH,F)11*6H2O, a new mineral species from
Luserna Valley, Piedmont, Italy: Description and crystal structure
Locality: Dora-Maira massif, Western Alps, Italy
_database_code_amcsd 0019909
7.8412 11.0313 11.3870 90 90 90 Pmna
atom      x      y      z   occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Y1      .25 .49751    .75  .790 .0171  .0120  .0281  .0111      0  .0007      0
Er1     .25 .49751    .75  .075 .0171  .0120  .0281  .0111      0  .0007      0
Yb1     .25 .49751    .75  .045 .0171  .0120  .0281  .0111      0  .0007      0
Gd1     .25 .49751    .75  .035 .0171  .0120  .0281  .0111      0  .0007      0
Ca1     .25 .49751    .75  .025 .0171  .0120  .0281  .0111      0  .0007      0
Sm1     .25 .49751    .75  .005 .0171  .0120  .0281  .0111      0  .0007      0
Pb1A    .25   .570    .75  .015 .0171  .0120  .0281  .0111      0  .0007      0
Pb1B    .25   .409    .75 .0135 .0171  .0120  .0281  .0111      0  .0007      0
Y2        0 .23037 .84868  .915 .0203  .0166  .0282  .0160      0      0  .0001
Dy2       0 .23037 .84868  .085 .0203  .0166  .0282  .0160      0      0  .0001
Al        0     .5 1.0000       .0182   .012   .034   .009      0      0  -.002
C        .5  .6827  .9152        .021   .016   .036   .012      0      0   .007
OH1  -.1625  .3949  .9272       .0233   .011   .046   .013   .001   .001  -.001
O2    .3573  .6424  .8745        .034   .017   .054   .030  -.007   .007  -.009
O3       .5  .7587  .9988        .026   .022   .038   .018      0      0  -.011
F4     -.25  .2136    .75   .33  .027   .016   .046   .020      0      0      0
OH4    -.25  .2136    .75   .67  .027   .016   .046   .020      0      0      0
OH5       0  .4177 1.1437        .020   .021   .033   .006      0      0   .007
OH6       0  .3873  .7091        .021   .019   .037   .007      0      0   .007
Ow1  -.1876  .1348  .9854        .055   .052   .063   .050   .007   .016   .019
Hw1  -.2011  .0366  .9887        .050
Hw2  -.3140  .1579 1.0142        .050
Wat2      0   .033  .7697   .50  .094   .091   .103   .087      0      0  -.036
OH2       0   .033  .7697   .50  .094   .091   .103   .087      0      0  -.036
Wat3   -.25  -.141    .75   .50  .101
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Tazieffite
 
Zelenski M, Garavelli A, Pinto D, Vurro F, Moelo Y, Bindi L, Makovicky E, Bonaccorsi E
Download am/vol94/AM94_1312.pdf
American Mineralogist 94 (2009) 1312-1324
Tazieffite, Pb20Cd2(As,Bi)22S50Cl10, a new chloro-sulfosalt from Mutnovsky
volcano, Kamchatka Peninsula, Russian Federation
Locality: Mutnovsky volcano, Kamchatka Peninsula, Russian Federation
_database_code_amcsd 0004974
8.3520 45.592 27.261 90 98.84 90 C2/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)
Pb1    .38646  .12162 .51217     .05115 .04749  .0488  .0572  .00069  .0083  .00023
Pb2     .8868  .12146 .51230     .04908 .04614 .04637  .0547  .00092  .0075  .00030
Pb3    .31117  .07257 .37217     .05053 .04770 .04788 .05684  .00032  .0106  -.0005
Pb4    .81076  .07236 .37239     .05117 .04874  .0485 .05700   .0003  .0106 -.00012
Pb5    .31093  .17319 .37403     .05006 .04664  .0469 .05657 -.00001  .0077  -.0005
Pb6    .80952  .17349 .37463     .05353 .05015 .05042 .05978  .00018  .0077 -.00028
Pb7     .7462  .98784 .74961     .05196 .04893 .04915 .05766  .00035  .0078 -.00007
Pb8    .74433  .23103 .24995     .06360 .05955  .0612  .0695  -.0003  .0080 -.00015
Pb9    .96003  .08875 .66171 .94 .05919 .05525 .05671  .0655  .00076  .0089  .00070
N9     .96003  .08875 .66171 .06 .05919 .05525 .05671  .0655  .00076  .0089  .00070
H9     .96003  .08875 .66171 .06 .05919 .05525 .05671  .0655  .00076  .0089  .00070
H9     .96003  .08875 .66171 .06 .05919 .05525 .05671  .0655  .00076  .0089  .00070
H9     .96003  .08875 .66171 .06 .05919 .05525 .05671  .0655  .00076  .0089  .00070
H9     .96003  .08875 .66171 .06 .05919 .05525 .05671  .0655  .00076  .0089  .00070
Pb10   .45838  .08941 .66388 .94 .06112 .05731  .0585  .0671  .00025  .0082 -.00022
N10    .45838  .08941 .66388 .06 .06112 .05731  .0585  .0671  .00025  .0082 -.00022
H10    .45838  .08941 .66388 .06 .06112 .05731  .0585  .0671  .00025  .0082 -.00022
H10    .45838  .08941 .66388 .06 .06112 .05731  .0585  .0671  .00025  .0082 -.00022
H10    .45838  .08941 .66388 .06 .06112 .05731  .0585  .0671  .00025  .0082 -.00022
H10    .45838  .08941 .66388 .06 .06112 .05731  .0585  .0671  .00025  .0082 -.00022
Cd1a        0  .12313    .25  .5 .05858  .0531  .0572  .0654  .00000  .0091  .00000
Pb1b        0  .12313    .25  .2 .05858  .0531  .0572  .0654  .00000  .0091  .00000
Sn1c        0  .12313    .25  .3 .05858  .0531  .0572  .0654  .00000  .0091  .00000
Cd2a       .5  .12322    .25  .5 .05747  .0546 .05526  .0627  .00000  .0094  .00000
Pb2b       .5  .12322    .25  .3 .05747  .0546 .05526  .0627  .00000  .0094  .00000
Sn2c       .5  .12322    .25  .2 .05747  .0546 .05526  .0627  .00000  .0094  .00000
As11   .24526  .15307 .75122 .67 .05100  .0492 .04725 .05673  .00115  .0087  .00108
Bi11    .2413  .17680 .74583 .33 .05100  .0492 .04725 .05673  .00115  .0087  .00108
As1b   .56454  .25498 .37431 .29 .05216  .0487 .04884 .05880  -.0001  .0077  .00018
Bi1a   .56454  .25498 .37431 .71 .05216  .0487 .04884 .05880  -.0001  .0077  .00018
As1    .43461  .24664 .62661     .06996  .0662  .0634  .0797   .0010  .0090   .0016
Bi2a   .12308  .20938 .49898 .69 .05872 .05526 .05570 .06461  .00035  .0073  .00089
As2b   .12308  .20938 .49898 .31 .05872 .05526 .05570 .06461  .00035  .0073  .00089
As2a    .6236  .20835 .49001 .63 .06399
Bi2b    .6172  .20835 .49773 .37 .06399
As3a    .1905   .1660 .61939 .79 .05898
Bi3b    .1912  .17298 .62680 .21 .05898
Bi4a   .67961  .16706 .61994 .62 .05053 .04805 .04757 .05617  .00168 .00861 -.00083
As4b   .67961  .16706 .61994 .38 .05053 .04805 .04757 .05617  .00168 .00861 -.00083
As5a   .12372   .0450 .50404 .69 .06210
Bi5b    .1210   .0398 .49889 .31 .06210
Bi6a   .62272  .04079 .49918 .57 .06062 .05862 .05731 .06686   .0020  .0126 -.00092
As6b   .62272  .04079 .49918 .43 .06062 .05862 .05731 .06686   .0020  .0126 -.00092
As7a    .9346  .00891 .62961 .83  .0601
Bi7b    .9357  .00445 .61602 .17  .0601
Bi8a   .43260  .00658 .62309 .61 .06155 .05838 .05853 .06794  .00008  .0103 -.00051
As8b   .43260  .00658 .62309 .39 .06155 .05838 .05853 .06794  .00008  .0103 -.00051
S1      .1574  .11787 .59346      .0732  .0707  .0753  .0750  -.0063  .0153  -.0038
S2      .6610  .11471 .58893      .0748  .0697  .0750  .0800  -.0046  .0125  -.0048
S3      .0888  .08674 .45222      .0666  .0608  .0634  .0721  -.0076 -.0011  -.0039
S4      .5907  .08786  .4529      .0630  .0612  .0582  .0672  -.0098  .0025  -.0035
S5      .0972   .1612  .4522      .0642  .0577  .0595  .0753   .0086  .0096   .0029
S6      .5963  .16110 .45543      .0661  .0569  .0632  .0775   .0056  .0082   .0041
S7      .4607   .2919 .67188      .0534  .0480  .0508  .0577  -.0092 -.0040   .0004
S8      .5405   .2078 .32414      .0527  .0461  .0514  .0574  -.0088 -.0018  -.0018
S9      .0355  .12354 .34308  .4  .0490  .0481  .0454  .0563  -.0023  .0164   .0000
Cl9     .0355  .12354 .34308  .6  .0490  .0481  .0454  .0563  -.0023  .0164   .0000
S10     .5304  .12330 .34359  .4  .0404  .0406  .0354  .0469  -.0017  .0125  -.0025
Cl10    .5304  .12330 .34359  .6  .0404  .0406  .0354  .0469  -.0017  .0125  -.0025
S11     .0391  .03780 .32592      .0518  .0442  .0459  .0594   .0037 -.0109  -.0018
S12     .4645   .9617 .67697      .0572  .0474  .0520  .0655   .0063 -.0129   .0003
S13    .75859  .08595 .24962  .4  .0627  .0635  .0512  .0691   .0010 -.0031   .0003
Cl13   .75859  .08595 .24962  .6  .0627  .0635  .0512  .0691   .0010 -.0031   .0003
S14    .75627  .16051 .25043  .4  .0640  .0625  .0526  .0726   .0030 -.0030  -.0018
Cl14   .75627  .16051 .25043  .6  .0640  .0625  .0526  .0726   .0030 -.0030  -.0018
S15     .3891   .0611 .55286      .0570  .0533  .0561  .0612   .0012  .0080   .0041
S16    .92039   .0622  .5552      .0588  .0578  .0547  .0641   .0020  .0097   .0031
S17    .62375   .9795 .56392      .0496  .0455  .0516  .0541   .0026  .0156  -.0003
S18     .8454  .02004 .43555      .0642  .0654  .0611  .0711  -.0007  .0260  -.0015
S19     .7202  .03151 .66812  .7  .0552  .0594  .0506  .0565   .0001  .0118   .0034
Cl19    .7202  .03151 .66812  .3  .0552  .0594  .0506  .0565   .0001  .0118   .0034
S20    .16455   .0322  .6688      .0507  .0484  .0473  .0574   .0038  .0109   .0001
S21    .24528  .22647  .6700      .0617  .0613  .0590  .0654   .0002  .0116   .0028
S22    .67252  .22546  .6697      .0613  .0611  .0561  .0667  -.0031  .0104   .0028
S23   .383058  .22729  .4391      .0548  .0510  .0578  .0580   .0019  .0159  -.0030
S24     .8333  .22672  .4404      .0685  .0633  .0667  .0732  -.0009  .0034  -.0020
S25    .37343 .184088 .56052      .0505  .0488  .0484  .0560  -.0057  .0133  -.0043
S26    .93754   .1855 .56139      .0576  .0586  .0561  .0579  -.0007  .0080  -.0050
S27    .93119  .15955 .69259      .0690  .0683  .0659  .0773   .0018  .0258   .0030
S28    .49753   .1543 .69639      .0529  .0422  .0502  .0667  -.0001  .0097    .008
Cl29       .5  .03412    .75      .0593  .0589  .0600  .0594  .00000  .0106  .00000
Cl30        0  .22146    .75      .0672  .0625  .0619  .0770  .00000  .0102  .00000
S31    .24678  .10002 .74732  .7  .0594  .0536  .0567  .0681  -.0008  .0097   .0004
Cl31   .24678  .10002 .74732  .3  .0594  .0536  .0567  .0681  -.0008  .0097   .0004
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Liottite
Download hom/liottite.pdf
Ballirano P, Merlino S, Bonaccorsi E, Maras A
Download cm/vol34/CM34_1021.pdf
The Canadian Mineralogist 34 (1996) 1021-1030
The crystal structure of liottite, a six-layer member of the cancrinite group
_database_code_amcsd 0005509
12.870 12.870 16.096 90 90 120 P-6
atom      x      y      z  occ  Uiso
Si1   .9954  .7437      0      .0077
Al1   .3339  .4088 .83304      .0081
Si2  .67182 .08217 .66374      .0075
Al2   .3364  .4097     .5      .0071
Si3  .58517 .66611 .83287      .0077
Al3   .7378  .7488      0      .0076
Si4   .5873  .6700     .5      .0072
Al4   .9282  .3431 .66345      .0079
O1    .8771  .1258      0      .0250
O2    .1025  .8798      0      .0207
O3    .9943  .6706  .9182      .0190
O4    .6631  .6698  .9119      .0203
O5    .2179  .7886  .8253      .0209
O6    .4501  .5552  .8386      .0209
O7    .3463  .3310  .7491      .0179
O8    .6574  .6560  .7543      .0193
O9    .5464  .4367  .6545      .0170
O10   .7933  .2105  .6632      .0266
O11   .6772  .0062  .5856      .0179
O12   .6659  .6735  .5794      .0177
O13   .2173  .7836     .5      .0197
O14   .4540  .5557     .5      .0148
Ca1     1/3    2/3     .5      .0162
Ca2     1/3    2/3  .8330      .0172
Ca3       0      0  .9783   .5 .0219
Ca4     2/3    1/3  .3915   .5 .0191
Ca5     2/3    1/3  .3436   .5 .0294
K1    .8463  .1651     .5      .0170
K1a    .857   .143     .5      .0170
K2    .1125  .8864  .6651      .0392
K2a    .145   .851   .675      .0392
K3    .8364  .1722  .8313      .0248
K3a    .816   .191   .847      .0248
K4    .5543  .4458      0      .0338
F     .7476  .2700     .5 .167 .0256
Cl1     1/3    2/3      0      .0732
Cl2     2/3    1/3     .5   .5 .1608
Cl3     1/3    2/3  .3335      .0742
S1        0      0  .7971   .5 .0172
S1'    .977   .013  .7874 .167 .0338
S2    .0357   .017     .5  1/3 .0348
S3      2/3    1/3  .8568      .0410
OS1a      0      0   .886   .5 .1005
OS1b  .1213  .0582  .7676  2/3 .0738
OS1c   .056   .094   .723  1/6 .1154
OS1d   .119   .054   .845  1/3 .0864
OS2a   .119   .058   .426  1/3 .0649
OS2b   .110   .051   .479  1/3 .1349
OS3a    2/3    1/3  .2409   .5 .0350
OS3b  .7285  .4595  .8789  2/3 .0366
OS3c   .692   .298   .211  1/6 .0931
OS3d   .728   .288   .913  1/3 .1281
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IMA2008-065
 
Ballirano P, Bonaccorsi E, Merlino S
Download cm/vol36/CM36_1285.pdf
The Canadian Mineralogist 36 (1998) 1285-1292
Carbonate groups in davyne: Structural and crystal-chemical considerations
_database_code_amcsd 0005578
12.6916 12.6916 5.3333 90 90 120 P6_3
atom      x      y    z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si   .32745 .40795 .746       .0066  .0082  .0097  .0040  .0004  .0006
Al   .06911 .40807 .746       .0077  .0084  .0095  .0047  .0003  .0004
O1    .2138  .4297 .717       .0117  .0267  .0437  .0140  .0044  .0108
O2    .0977  .5557 .741       .0195  .0103  .0225  .0089  .0001  .0000
O3    .0030  .3254 .018       .0274  .0201  .0193  .0164  .0139  .0085
O4    .3147  .3354 .001       .0183  .0204  .0160  .0064 -.0050  .0072
Ca      2/3    1/3 .218       .0148  .0148  .0256  .0074      0      0
Cl     .336   .650 .221  .33  .1357  .1119  .0211  .0849 -.0283 -.0247
NaM1  .1179  .2459 .288  .43  .0209  .0432  .0381  .0222  .0048 -.0041
CaM1  .1179  .2459 .288  .10  .0209  .0432  .0381  .0222  .0048 -.0041
NaM2   .119   .234 .219  .22  .0337  .0715  .0357  .0423  .0094 -.0071
CaM2   .119   .234 .219  .05  .0337  .0715  .0357  .0423  .0094 -.0071
NaM3   .154   .316 .260  .16  .0549  .1622  .0344  .0840 -.0046 -.0066
CaM3   .154   .316 .260  .04  .0549  .1622  .0344  .0840 -.0046 -.0066
C1        0      0 .167  .29
OC1    .114   .059 .167  .29  .0222  .0276  .1200  .0120 -.0013 -.0178
C2        0      0 .380  .10
OC2    .118   .060 .380  .19  .0222  .0276  .1200  .0120 -.0013 -.0178
S         0      0 .266  .09
OS        0      0  .98  .09
Cl1    .014   .059  .08 .048
Download AMC data (View Text File)
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Franzinite
Download hom/franzinite.pdf
Ballirano P, Bonaccorsi E, Maras A, Merlino S
Download cm/vol38/CM38_657.pdf
The Canadian Mineralogist 38 (2000) 657-668
The crystal structure of franzinite, the ten-layer mineral of
the cancrinite group
_database_code_amcsd 0005652
12.916 12.916 26.543 90 90 120 P321
atom      x     y     z occ  Uiso
Si1   .5834 .6684 .9018     .0158
Al1   .4190 .3332 .0978     .0135
Al2   .5866 .6658 .1963      .019
Si2   .4158 .3323 .8038     .0121
Al3   .5927 .6770 .6028     .0120
Si3   .4162 .3365 .3964     .0139
Al4   .7511 .7511     0      .018
Si4   .2472 .2472     0      .013
Si5   .7486 .7495 .2976     .0131
Al5   .2540 .2515 .7026      .015
Si6   .7485 .7485    .5      .014
Al6   .2544 .2544    .5      .012
O1    .4462  .218 .1051      .065
O2     .875 .7478 .2876      .028
O3    .2425 .1159 .5098      .025
O4     .322 .0005 .3468      .028
O5     .671  .002 .6482      .025
O6     .659 .6760 .5470      .022
O7     .353 .3302 .4504      .022
O8     .669  .650 .1495      .049
O9     .348  .351 .8495      .060
O10   .4501 .2340 .3901      .022
O11    .666  .686 .9481      .072
O12    .327  .307 .0468      .084
O13    .442  .549 .1995      .035
O14    .541 .0786 .3940      .026
O15    .656  .673 .2534      .027
O16    .344  .320 .7537      .053
O17    .888 .7821 .6994      .030
O18   .4275  .220 .8161      .037
O19   .9157  .454 .0863      .065
O20    .120  .233 .0106      .074
S1     .373  .676 .0546 1/3  .064
S2     .343  .706 .7415 1/3  .078
S3     .025  .023 .1561 1/3  .080
S4      1/3   2/3 .3199     .0293
S5      1/3   2/3 .4884     .0241
Wat    .009  .039  .604       .11
KA1     2/3   1/3 .8189     .0370
NaA2      0     0  .490  .5   .20
NaA3      0     0 .7218 .19  .034
KA3       0     0 .7218 .17  .034
NaA3a     0     0 .7477 .10  .034
KA3a      0     0 .7477 .08  .034
NaA3b     0     0 .7009 .12  .034
KA3b      0     0 .7009 .10  .034
NaA4      0     0 .0318 .24  .060
KA4       0     0 .0318 .03  .060
NaA4a     0     0     0 .06  .060
KA4a      0     0     0 .01  .060
KA5     2/3   1/3 .3733     .0276
NaA6    2/3   1/3 .0635 .31  .051
KA6     2/3   1/3 .0635 .06  .051
NaA6a   2/3   1/3 .1339 .21  .051
KA6a    2/3   1/3 .1339 .04  .051
NaM1   .503  .503     0 .28  .047
KM1    .503  .503     0 .14  .047
NaM1a  .450  .544 .0150 .09  .047
KM1a   .450  .544 .0150 .05  .047
KM2   .7815 .5649 .5960 .74 .0289
NaM2  .7815 .5649 .5960 .17 .0289
NaM3  .4909 .5140 .3017 .50 .0396
KM3   .4909 .5140 .3017 .16 .0396
KM4   .5015 .5015    .5 .47 .0284
NaM4  .5015 .5015    .5 .34 .0284
NaM5   .849 .6967 .8973 .21  .041
KM5    .849 .6967 .8973 .08  .041
NaM5a  .806  .586 .9164 .09  .041
KM5a   .806  .586 .9164 .03  .041
NaM5b  .873  .760 .8870 .11  .041
KM5b   .873  .760 .8870 .04  .041
NaM5c  .829  .650  .903 .08  .041
KM5c   .829  .650  .903 .03  .041
NaM6   .834 .6655 .2001 .20  .034
KM6    .834 .6655 .2001 .13  .034
NaM6a  .772  .556 .2169 .09  .034
KM6a   .772  .556 .2169 .06  .034
NaM6b  .873  .726 .1849 .08  .034
KM6b   .873  .726 .1849 .05  .034
NaM6c  .795  .605 .2139 .07  .034
KM6c   .795  .605 .2139 .05  .034
OS1a   .617   .32 .9054       .12
OS1b   .375  .603 .0207       .16
OS1c   .488  .736  .076       .16
OS2a   .401  .786 .7078       .10
OS2b   .730  .470  .225       .07
OS2c   .728  .399  .229       .12
OS3a   .046  .126  .131       .08
OS3b   .113  .078  .184       .18
OS3c   .045  .042  .113       .13
OS4a    1/3   2/3 .2650      .093
OS4b   .396  .789 .3390      .053
OS5a    1/3   2/3 .5433      .058
OS5b   .397  .791 .4698      .042
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Megakalsilite
 
Khomyakov A P, Nechelyustov G N, Sokolova E V, Bonaccorsi E, Merlino S, Pasero M
Download cm/vol40/CM40_961.pdf
The Canadian Mineralogist 40 (2002) 961-970
Megakalsilite, a new polymorph of KAlSiO4 from the Khibina alkaline massif,
Kola Peninsula, Russia: mineral description and crystal structure
Locality: Khibina alkaline massif, Kola Peninsula, Russia
_database_code_amcsd 0005778
18.1111 18.1111 8.4619 90 90 120 P6_3
atom      x     y     z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si(1) .8321 .8406 .1939 .0110  .0108  .0099  .0119  .0049 -.0006  .0007
Si(2) .6655 .6652 .7939 .0106  .0106  .0104  .0109  .0052 -.0007  .0004
Si(3) .6578 .4940 .1784 .0111  .0110  .0102  .0120  .0052  .0010 -.0004
Si(4) .5039 .6775 .1778 .0116  .0118  .0103  .0126  .0055  .0001 -.0016
Al(1) .8303 .8381 .8114 .0108  .0106  .0106  .0112  .0052  .0001  .0017
Al(2) .6683 .6682 .1834 .0110  .0115  .0108  .0107  .0055 -.0002  .0002
Al(3) .6554 .4915 .7961 .0109  .0122  .0111  .0105  .0066  .0002 -.0001
Al(4) .5014 .6761 .7962 .0110  .0102  .0104  .0120  .0050  .0009  .0006
K(1)      0     0 .4862 .0201  .0206  .0206  .0192  .0103      0      0
K(2)    2/3   1/3 .5052 .0208  .0204  .0204  .0218  .0102      0      0
K(3)    1/3   2/3 .5048 .0217  .0209  .0209  .0233  .0105      0      0
K(4)  .4776 .0047 .4916 .0230  .0291  .0213  .0208  .0141 -.0007  .0021
K(5)  .6665 .8126 .4946 .0235  .0238  .0264  .0199  .0123  .0023  .0007
K(6)  .8049 .6675 .4956 .0233  .0229  .0229  .0240  .0113  .0039  .0072
O(1)  .8161 .8533 .0101 .0175  .0188  .0200  .0150  .0106 -.0011 -.0008
O(2)  .6699 .6650 .9824 .0198  .0278  .0201  .0121  .0125 -.0003 -.0015
O(3)  .6272 .4778 .9951 .0155  .0150  .0171  .0143  .0078 -.0003  .0025
O(4)  .5164 .7065 .9940 .0171  .0203  .0159  .0135  .0079  .0003 -.0023
O(5)  .9308 .8671 .2178 .0172  .0130  .0167  .0221  .0074 -.0022  .0040
O(6)  .7365 .4676 .7714 .0163  .0131  .0167  .0204  .0083  .0062  .0036
O(7)  .8009 .3960 .2724 .0151  .0152  .0115  .0193  .0073  .0036 -.0006
O(8)  .9075 .8084 .7999 .0183  .0199  .0231  .0166  .0142  .0053  .0038
O(9)  .5250 .7663 .6852 .0178  .0187  .0188  .0202  .0127  .0072  .0065
O(10) .4361 .5771 .1895 .0193  .0198  .0116  .0227  .0049  .0052 -.0011
O(11) .7702 .7420 .2507 .0155  .0148  .0128  .0173  .0059 -.0043  .0002
O(12) .8981 .5948 .7519 .0160  .0138  .0162  .0137  .0042  .0024 -.0028
O(13) .9256 .3585 .2558 .0151  .0156  .0228  .0119  .0135 -.0029 -.0028
O(14) .3587 .9297 .7338 .0161  .0190  .0122  .0188  .0092  .0040  .0026
O(15) .5944 .9066 .2253 .0155  .0108  .0131  .0175  .0023  .0017 -.0039
O(16) .7348 .7584 .7258 .0168  .0172  .0150  .0159  .0062 -.0024 -.0005
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Galenobismutite
Download hom/galenobismutite.pdf
Pinto D, Balic-Zunic T, Bonaccorsi E, Borodaev Y S, Garavelli A, Garbarino C,
Makovicky E, Mozgova N N, Vurro F
Download cm/vol44/CM44_443.pdf
The Canadian Mineralogist 44 (2006) 443-457
Rare sulfosalts from Vulcano, Aeolian Islands, Italy. VII. Cl-bearing galenobismutite
Locality: Vulcano, Aeolian Islands, Italy
Sample: FF-1991a
_database_code_amcsd 0006084
11.832 14.640 4.0817 90 90 90 Pnam
atom      x      y   z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
PbM3 .24859 .65368 .25      .0301  .0349  .0233  .0322  .0101      0      0
BiM1 .06735 .38982 .25      .0201  .0207  .0177  .0220  .0018      0      0
BiM2 .10188 .90348 .25  .85 .0268  .0308  .0148  .0349 -.0020      0      0
PbM2 .10188 .90348 .25  .14 .0268  .0308  .0148  .0349 -.0020      0      0
S1   .33714 .01493 .25 .895  .022   .024   .019   .023   .003      0      0
Se1  .33714 .01493 .25 .063  .022   .024   .019   .023   .003      0      0
Cl1  .33714 .01493 .25 .042  .022   .024   .019   .023   .003      0      0
S2    .2592 .29667 .25 .958 .0157   .018   .012   .018   .001      0      0
Cl2   .2592 .29667 .25 .042 .0157   .018   .012   .018   .001      0      0
S3    .0564  .0931 .25 .945  .019   .020   .017   .019   .001      0      0
Se3   .0564  .0931 .25 .013  .019   .020   .017   .019   .001      0      0
Cl3   .0564  .0931 .25 .042  .019   .020   .017   .019   .001      0      0
S4    .0177  .7120 .25 .940  .017   .018   .014   .020  -.004      0      0
Se4   .0177  .7120 .25 .018  .017   .018   .014   .020  -.004      0      0
Cl4   .0177  .7120 .25 .042  .017   .018   .014   .020  -.004      0      0
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Galenobismutite
Download hom/galenobismutite.pdf
Pinto D, Balic-Zunic T, Bonaccorsi E, Borodaev Y S, Garavelli A, Garbarino C,
Makovicky E, Mozgova N N, Vurro F
Download cm/vol44/CM44_443.pdf
The Canadian Mineralogist 44 (2006) 443-457
Rare sulfosalts from Vulcano, Aeolian Islands, Italy. VII. Cl-bearing galenobismutite
Locality: Vulcano, Aeolian Islands, Italy
Sample: FF-1991b
_database_code_amcsd 0006085
11.846 14.667 4.085 90 90 90 Pnam
atom      x      y   z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
PbM3 .24865 .65379 .25      .0383  .0446  .0374  .0330  .0102      0      0
BiM1 .06725 .38979 .25      .0273  .0284  .0263  .0271  .0022      0      0
BiM2 .10207 .90320 .25  .82 .0354  .0410  .0400  .0252 -.0023      0      0
PbM2 .10207 .90320 .25  .15 .0354  .0410  .0400  .0252 -.0023      0      0
S1    .3375  .0150 .25 .900  .028   .031   .027   .025   .001      0      0
Se1   .3375  .0150 .25 .095  .028   .031   .027   .025   .001      0      0
Cl1   .3375  .0150 .25  .05  .028   .031   .027   .025   .001      0      0
S2    .2592  .2966 .25 .907  .020   .020   .021   .018 -.0007      0      0
Se2   .2592  .2966 .25 .043  .020   .020   .021   .018 -.0007      0      0
Cl2   .2592  .2966 .25  .05  .020   .020   .021   .018 -.0007      0      0
S3    .0569  .0929 .25 .891  .025   .024   .022   .029   .001      0      0
Se3   .0569  .0929 .25 .059  .025   .024   .022   .029   .001      0      0
Cl3   .0569  .0929 .25  .05  .025   .024   .022   .029   .001      0      0
S4    .0181  .7120 .25 .886  .023   .027   .021   .022  -.002      0      0
Se4   .0181  .7120 .25 .064  .023   .027   .021   .022  -.002      0      0
Cl4   .0181  .7120 .25  .05  .023   .027   .021   .022  -.002      0      0
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Montetrisaite
Download hom/montetrisaite.pdf
Orlandi P, Bonaccorsi E
Download cm/vol47/CM47_143.pdf
The Canadian Mineralogist 47 (2009) 143-151
Montetrisaite, a new hydroxy-hydrated copper sulfate species
from Monte Trisa, Vicenza, Italy
Locality: Monte Trisa, Vicenza, Italy
_database_code_amcsd 0006275
2.989 16.970 14.812 90 90 90 Cmc2_1
atom   x     y     z occ Uiso
Cul    0 .0363 .5369     .033
Cu2   .5 .8685 .5133     .027
Cu3   .5 .2006 .4950     .024
S      0 .8273  .302  .5 .079
O1     0  .818  .403  .5 .044
OH1b   0  .840  .445  .5 .041
OH2   .5  .980  .472     .052
OH3    0  .883  .592  .5 .078
Wat3b  0  .902  .651  .5 .089
OH4   .5 .0852  .594     .046
Wat5  .5  .982  .789  .5 .038
OH6   .5  .752  .557     .037
OH7    0  .148  .434     .049
O8     0  .750  .253  .5  .09
O9    .5  .851  .284      .08
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Roumaite
 
Biagioni C, Bonaccorsi E, Merlino S, Parodi G C, Perchiazzi N,
Chevrier V, Bersani D
 
The Canadian Mineralogist 48 (2010) 17-28
Roumaite, (Ca,Na)3(Ca,REE,Na)4(Nb,Ti)[Si2O7]2(OH)F3, from Rouma Island,
Los Archipelago, Guinea: A new mineral species related to dovyrenite
Locality: Rouma Island, Los Archipelago, Guinea
_database_code_amcsd 0006312
7.473 11.294 18.778 90 101.60 90 Cc
atom     x     y     z  occ  Uiso
CaM2 .7429 .8755 .4796  .46 .0189
NaM2 .7429 .8755 .4796  .30 .0189
CaM3 .9903 .8751 .9799  .60 .0279
NaM3 .9903 .8751 .9799  .15 .0279
NaM4 .9896 .3753 .9803  .60 .0276
CaM4 .9896 .3753 .9803  .35 .0276
CeM5 .6436 .7056 .2894  .60 .0084
NaM5 .6436 .7056 .2894  .40 .0084
CaM6 .3355 .4524 .1683  .65 .0046
CeM6 .3355 .4524 .1683 .175 .0046
NaM6 .3355 .4524 .1683 .175 .0046
CaM7 .6390 .7938 .7862  .68 .0086
CeM7 .6390 .7938 .7862  .17 .0086
NaM7 .6390 .7938 .7862  .17 .0086
CaM8 .3338 .9550 .1708  .45 .0046
CeM8 .3338 .9550 .1708 .275 .0046
NaM8 .3338 .9550 .1708 .275 .0046
NbM1 .7354 .6274 .9769  .55 .0258
TiM1 .7354 .6274 .9769  .45 .0258
Si1  .0832 .6998 .1176      .0168
Si2  .5215 .7005 .1184      .0075
Si3  .8807 .9544 .3398      .0095
Si4  .4477 .9530 .3400      .0147
O1   .3946 .6559 .7917      .0223
O2   .3930 .0751 .3004      .0159
O3   .6765 .9457 .3610      .0189
O4   .5184 .5526 .9189      .0180
O5   .0910 .5879 .1700      .0004
O6   .3849 .8425 .2924      .0200
O7   .3983 .5767 .3017      .0129
O8   .2962 .7023 .0966      .0208
O9   .5932 .8167 .1680      .0022
O10  .3917 .9498 .4199      .0224
O11  .0883 .8165 .1659      .0042
O12  .9555 .6962 .0384      .0068
O13  .5778 .6972 .0400      .0086
O14  .5960 .5898 .1718      .0014
F1   .7657 .4775 .0397  .75 .0176
OH1  .7657 .4775 .0397  .25 .0176
F2   .7031 .7061 .4160  .75 .0154
OH2  .7031 .7061 .4160  .25 .0154
F3   .7018 .7689 .9140  .75 .0164
OH3  .7018 .7689 .9140  .25 .0164
F4   .2697 .4544 .0397  .75 .0148
OH4  .2697 .4544 .0397  .25 .0148
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Volaschioite
 
Biagioni C, Bonaccorsi E, Orlandi P
 
The Canadian Mineralogist 49 (2011) 605-614
Volaschioite, Fe3+4(SO4)O2(OH)6*2H20, a new mineral species
from Fornovolasco, Apuan Alps, Tuscany, Italy
Locality: Fornovolasco, Tuscany, Italy
_database_code_amcsd 0018472
16.068 3.058 10.929 90 93.82 90 C2/m
atom     x    y     z occ Uiso
Fe1  .2971    0 .3927     .014
Fe2  .2264   .5 .1251     .014
S    .4906    0 .2983  .5 .022
O1   .2744   .5 .2888     .019
O2   .5405 .605 .3245  .5 .031
OH3  .1511    0 .1423     .020
OH4  .1860    0 .4732     .017
O5   .4228    0 .3872  .5 .034
Wat5 .4228    0 .3872  .5 .034
OH6  .3014    0 .0670     .021
O7   .4599    0  .170  .5 .031
Wat7 .4700    0  .081  .5 .063
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Boscardinite
 
Orlandi P, Biagioni C, Bonaccorsi E, Moelo Y, Paar W H
 
The Canadian Mineralogist 50 (2012) 235-251
Lead-antimony sulfosalts from Tuscany (Italy). XII. Boscardinite,
TlPb4(Sb7As2)S9S18, a new mineral species from the Monte Arsiccio mine:
Occurrence and crystal structure
Locality: Monte Arsiccio, near Sant'Anna di Stazzema, Apuan Alps, Tuscany, Italy
_database_code_amcsd 0019212
8.0929 8.7610 22.497 90.868 97.247 90.793 P-1
atom       x      y      z  occ  Uiso
Ag10b  .4768  .6311  .4128  .29 .0281
Tl1   .11091 .63591 .16858  .80 .0300
Pb1   .11091 .63591 .16858  .20 .0300
Pb2a   .8876  .8872  .8214  .27 .0365
Tl2a   .8876  .8872  .8214  .11 .0365
Pb2b   .8481  .8489  .8267  .50 .0365
Tl2b   .8481  .8489  .8267  .12 .0365
Pb3   .66435 .65298 .25913  .80 .0354
Tl3   .66435 .65298 .25913  .20 .0354
Pb4   .64766 .14848 .25445      .0357
Sb1    .5456  .3969 .09929      .0143
Sb2    .8192  .1037 .02078      .0132
Sb3    .4867  .1174 .88652  .71 .0147
As3    .4867  .1174 .88652  .29 .0147
As4    .1727  .3602 .99928  .75 .0162
Sb4    .1727  .3602 .99928  .25 .0162
Sb5    .0685  .3880 .33165  .78 .0153
As5    .0685  .3880 .33165  .22 .0153
Sb6    .1091  .8527 .34360      .0218
Sb7    .8464  .3420 .46700      .0194
Sb8    .7884  .8996 .44625  .53 .0230
As8    .7884  .8996 .44625  .47 .0230
Sb9a   .4323  .1571  .4107 .814 .0174
Pb9b   .3933  .1261  .4182 .186 .0174
Sb10a  .4734  .5994  .4240  .71 .0281
S1     .3600  .1799  .0369      .0282
S2     .9222  .6919  .3983      .0186
S3     .2844  .9135  .8616      .0124
S4     .9030  .3872  .2359      .0242
S5     .6246  .3555  .3774      .0148
S6     .6712  .1694  .5168      .0169
S7     .9868  .0876  .9316      .0102
S8     .9233  .8812  .2532      .0179
S9     .3238  .5647  .0490      .0144
S10    .2932  .4276  .4722      .0200
S11    .9700  .0869  .4170      .0269
S12    .9849  .3314  .0704      .0143
S13    .5714  .9291  .3640      .0250
S14    .2531  .1900  .3063      .0168
S15    .6969  .6726  .1386      .0142
S16    .2542  .5991  .3128      .0184
S17    .4226  .3702  .1928      .0186
S18    .5945  .1011  .7922      .0202
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Protochabourneite
 
Orlandi P, Biagioni C, Moelo Y, Bonaccorsi E, Paar W H
 
The Canadian Mineralogist 51 (2013) 475-494
Lead-antimony sulfosalts from Tuscany (Italy). XIII. Protochabourneite,
~Tl2Pb(Sb9-8As1-2)S10S17, from the Monte Arsiccio mine:
occurrence, crystal structure, and relationship with chabourneite
Locality: Monte Arsiccio mine, Apuan Alps, Tuscany, Italy
_database_code_amcsd 0020049
8.150 8.716 21.579 85.18 96.94 88.60 P-1
atom      x     y       z occ  Uiso
Tl1   .4657 .5978  .18388     .0702
Tl2   .4517 .0991  .18031 .70 .0700
Pb2   .4517 .0991  .18031 .30 .0700
Pb1   .0101 .0927  .27277     .0584
Sb1   .0357 .7790  .47663 .90 .0406
As1   .0357 .7790  .47663 .10 .0406
Sb2   .3007 .4803  .43880     .0367
Sb3   .6356 .7776  .37853     .0388
Sb4   .6852 .1085  .02106     .0380
Sb5   .3425 .0507  .42918     .0408
Sb6   .6621 .3067  .36511     .0404
Sb7   .1040 .3617  .11215     .0395
Sb8   .9473 .5906   .2696 .70 .0465
Pb8   .9909 .5962   .2798 .30 .0465
Sb9   .0263 .8617  .12617 .55 .0395
As9   .0263 .8617  .12617 .45 .0395
Sb10  .2952 .3704 -.00011 .65 .0380
As10  .2952 .3704 -.00011 .35 .0380
S1   -.1443 .5812   .4258     .0370
S2    .1300 .2526   .3984     .0345
S3   -.1328 .6411   .1571     .0404
S4    .1755 .8442   .3806     .0385
S5   -.1791 .9754   .4450     .0429
S6    .5576 .3328   .0663     .0390
S7    .4724 .1027   .3296     .0388
S8    .7524 .3587   .2590     .0428
S9    .1651 .1638   .0567     .0437
S10   .4475 .5196   .3411     .0350
S11  -.1500 .0649   .1515     .0379
S12   .1895 .5615   .0606     .0415
S13   .5401 .8907   .0700     .0388
S14   .5124 .3016   .4914     .0356
S15   .7414 .8113   .2770     .0413
S16   .1832 .3322   .2120     .0406
S17   .2029 .8470   .2215     .0539
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Rhonite
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Bonaccorsi E, Merlino S, Pasero M
 
European Journal of Mineralogy 2 (1990) 203-218
Rhonite: structural and microstructural features, crystal
chemistry and polysomatic relationships
Locality: volcanic breccias of Scharnhausen
_database_code_amcsd 0006382
10.428 10.807 8.925 105.91 96.13 124.80 P-1
atom     x     y     z occ  Uiso
MgM1     0     0    .5 .70 .0047
FeM1     0     0    .5 .30 .0047
MgM2     0    .5     0 .65 .0038
FeM2     0    .5     0 .35 .0038
MgM3 .3136 .8531 .1692 .59 .0083
FeM3 .3136 .8531 .1692 .41 .0083
MgM4 .7784 .8302 .1486 .63 .0089
FeM4 .7784 .8302 .1486 .37 .0089
MgM5 .0958 .9411 .0543 .74 .0092
FeM5 .0958 .9411 .0543 .26 .0092
MgM6 .5971 .9453 .0597 .66 .0072
FeM6 .5971 .9453 .0597 .34 .0072
TiM7 .9973 .7436 .2554     .0122
CaM8 .2060 .6279 .3927 .97 .0104
NaM8 .2060 .6279 .3927 .03 .0104
CaM9 .6614 .6082 .3742 .96 .0127
NaM9 .6614 .6082 .3742 .04 .0127
SiT1 .4707 .2325 .3348 .50 .0073
AlT1 .4707 .2325 .3348 .50 .0073
SiT2 .9744 .2321 .3454 .50 .0054
AlT2 .9744 .2321 .3454 .50 .0054
SiT3 .7833 .3431 .2358 .50 .0052
AlT3 .7833 .3431 .2358 .50 .0052
SiT4 .2702 .3383 .2258 .50 .0073
AlT4 .2702 .3383 .2258 .50 .0073
SiT5 .6446 .9469 .4352 .50 .0008
AlT5 .6446 .9469 .4352 .50 .0008
SiT6 .3619 .5662 .0503 .50 .0025
AlT6 .3619 .5662 .0503 .50 .0025
O1   .3459 .0573 .1606     .0095
O2   .8465 .0590 .1683     .0106
O3   .5492 .9602 .2832     .0138
O4   .0197 .9333 .2690     .0155
O5   .2372 .8681 .3882     .0107
O6   .7522 .8759 .3801     .0158
O7   .5030 .2006 .5055     .0134
O8   .9594 .7869 .4852     .0109
O9   .8878 .3244 .3812     .0092
O10  .3900 .3347 .3652     .0122
O11  .6504 .1663 .0580     .0093
O12  .1482 .1639 .0559     .0093
O13  .5399 .7199 .0356     .0178
O14  .0627 .7306 .0642     .0088
O15  .2444 .6188 .1204     .0115
O16  .7505 .6103 .1343     .0104
O17  .4078 .5062 .1945     .0123
O18  .9424 .5168 .2174     .0136
O19  .1543 .3719 .3185     .0112
O20  .6659 .3792 .3361     .0127
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Rhonite
Download hom/rhonite.pdf
Bonaccorsi E, Merlino S, Pasero M
 
European Journal of Mineralogy 2 (1990) 203-218
Rhonite: structural and microstructural features, crystal
chemistry and polysomatic relationships
Locality: the Allende meteorite
_database_code_amcsd 0006383
10.367 10.756 8.895 105.98 96.04 124.72 P-1
atom     x     y     z occ  Uiso
MgM1     0     0    .5 .52 .0135
TiM1     0     0    .5 .48 .0135
MgM2     0    .5     0 .48 .0105
TiM2     0    .5     0 .52 .0105
MgM3 .3100 .8507 .1707 .56 .0115
TiM3 .3100 .8507 .1707 .44 .0115
MgM4 .7794 .8286 .1492 .58 .0119
TiM4 .7794 .8286 .1492 .42 .0119
MgM5 .0973 .9431 .0537 .90 .0143
TiM5 .0973 .9431 .0537 .10 .0143
MgM6 .5968 .9453 .0590 .90 .0066
TiM6 .5968 .9453 .0590 .10 .0066
MgM7 .9978 .7462 .2549 .56 .0070
TiM7 .9978 .7462 .2549 .44 .0070
CaM8 .2044 .6268 .3942     .0077
CaM9 .6617 .6065 .3743     .0090
SiT1 .4706 .2315 .3337 .50 .0087
AlT1 .4706 .2315 .3337 .50 .0087
SiT2 .9739 .2293 .3456 .50 .0057
AlT2 .9739 .2293 .3456 .50 .0057
SiT3 .7839 .3415 .2339 .50 .0071
AlT3 .7839 .3415 .2339 .50 .0071
SiT4 .2702 .3387 .2244 .50 .0061
AlT4 .2702 .3387 .2244 .50 .0061
AlT5 .6426 .9468 .4354     .0101
AlT6 .3634 .5653 .0504     .0102
O1   .3425 .0530 .1596     .0107
O2   .8437 .0550 .1693     .0096
O3   .5479 .9609 .2794     .0150
O4   .0175 .9376 .2697     .0119
O5   .2423 .8674 .3867     .0184
O6   .7581 .8789 .3783     .0141
O7   .5045 .2023 .5090     .0144
O8   .9598 .7898 .4857     .0129
O9   .8854 .3217 .3788     .0092
O10  .3901 .3342 .3651     .0076
O11  .6476 .1627 .0545     .0123
O12  .1489 .1639 .0534     .0074
O13  .5446 .7214 .0382     .0197
O14  .0675 .7294 .0605     .0100
O15  .2414 .6207 .1178     .0124
O16  .7472 .6154 .1369     .0138
O17  .4092 .5089 .1983     .0112
O18  .9440 .5132 .2105     .0153
O19  .1528 .3684 .3182     .0110
O20  .6674 .3769 .3347     .0095
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Quadridavyne
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Bonaccorsi E, Merlino S, Orlandi P, Pasero M, Vezzalini G
 
European Journal of Mineralogy 6 (1994) 481-487
Quadridavyne, [(Na,K)6Cl2][Ca2Cl2][Si6Al6O24], a new feldspathoid
mineral from Vesuvius area
Note: Cl1 y-coordinate altered
Locality: Vesuvius, Italy
_database_code_amcsd 0006545
25.771 25.771 5.371 90 90 120 P6_3/m
atom          x     y    z  occ
Naint(ab)  .052  .106  1/4  .28
Kint(ab)   .052  .106  1/4  .10
Namid(ab)  .068  .139  1/4  .24
Kmid(ab)   .068  .139  1/4  .12
Naext(ab)  .091  .182  1/4  .20
Kext(ab)   .091  .182  1/4  .06
Naint(c1)  .391  .439  1/4
Naint(c2)  .587  .414  1/4
Kext(c)    .591  .683  1/4
Si1       .1615 .2049  3/4
Si2       .2921 .4597  3/4
Si3        .041  .335  3/4
Si4       .2082 .5408  1/4
Al1       .0345 .2082  3/4
Al2        .299  .333  3/4
Al3        .168  .464  3/4
Al4        .209 .6692  1/4
O1         .105  .215  3/4
O2         .060 .2844  3/4
O3         .172  .002  .02
O5         .294  .399  3/4
O6         .211  .273  3/4
O7         .667 -.005 .021
O8         .669  .506 .508
O9         .106  .398  3/4
O10        .223  .445  3/4
O11        .174  .511 .993
O13        .220  .608  1/4
O14        .276  .553  1/4
Ca1         2/3   1/3  3/4
Cl1         2/3   1/3  1/4
Ca2        .334  .169  1/4
Cl2       .3130 .1561  3/4
Cl(a)     -.018  .024  1/4  1/6
Cl(b)      .029  .047  1/4  1/6
Cl(c)      .529  .547  1/4
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Afghanite
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Ballirano P, Bonaccorsi E, Maras A, Merlino S
 
European Journal of Mineralogy 9 (1997) 21-30
Crystal structure of afghanite, the eight-layer member
of the cancrinite-group: evidence for long-range Si,Al ordering
_database_code_amcsd 0006636
12.8013 12.8013 21.4119 90 90 120 P31c
atom     x     y     z   occ  Uiso
Si1  .2530 .0000 .4950       .0049
Al1  .7412 .0000 .9952       .0117
Si2  .9234 .5849 .3687       .0091
Al2  .0784 .4032 .8684       .0088
Si3  .0056 .2570 .2445       .0091
Al3  .0040 .7424 .7450       .0057
Si4  .9232 .5851 .1217       .0075
Al4  .0783 .4035 .6220       .0070
O1    .342  .333 .6773       .0254
O2    .669  .680 .1820       .0194
O3    .348  .345 .8062       .0161
O4    .663  .668 .3020       .0194
O5    .122  .887 .7462       .0147
O6    .336  .335 .4281       .0266
O7    .674  .677 .9335       .0214
O8   .3516 .3424 .0554       .0153
O9    .658  .669 .5508       .0220
O10   .121  .883 .0028       .0310
O11   .117  .887 .4947       .0217
O12   .118  .884 .2491       .0223
O13  .4580 .5465 .6257       .0293
O14  .4562 .5482 .8750       .0202
O15  .2113 .7732 .6264       .0208
O16  .2128 .7715 .8660       .0188
Ca1      0     0     0       .0175
Ca2      0     0 .2500       .0163
Ca3    1/3   2/3 .6296   .90 .0131
Ca3a   1/3   2/3  .660   .10 .0131
Ca4    1/3   2/3 .8791   .90 .0147
Ca4a   1/3   2/3  .853   .10 .0147
Cl1      0     0 .1237       .0701
Cl2      0     0 .3739       .0796
Cl3    1/3   2/3 .7527   .90 .1157
F    .4018 .5995 .7452 .0334 .0500
K1   .4432 .2235 .8651   .17 .0387
Ca1  .4432 .2235 .8651   .06 .0387
Na1  .4432 .2235 .8651   .27 .0387
K1a   .386  .199  .860   .17 .0387
Ca1a  .386  .199  .860   .06 .0387
Na1a  .386  .199  .860   .27 .0387
K2   .5054 .5014 .9912  .305 .0377
Ca2  .5054 .5014 .9912  .145 .0377
Na2  .5054 .5014 .9912   .55 .0377
K3   .5211 .4845 .7412  .015 .0399
Ca3  .5211 .4845 .7412  .008 .0399
Na3  .5211 .4845 .7412   .97 .0399
K4    .423  .210 .6238 .0666 .0341
Ca4   .423  .210 .6238 .0303 .0341
Na4   .423  .210 .6238   .41 .0341
K4a   .456  .236 .6163   .06 .0341
Ca4a  .456  .236 .6163   .03 .0341
Na4a  .456  .236 .6163   .41 .0341
S1     1/3   2/3 .2475       .0429
S2     1/3   2/3 .4625       .0445
S3     1/3   2/3 .0301       .0532
OS1a  .444  .744  .278   1/3 .0920
OS1b  .400  .619  .208   1/3 .1173
OS1c   .40   .64  .296   1/3 .1387
OS1d  .432  .762  .214   1/3 .1895
OS2a   1/3   2/3 .5231       .1252
OS2b  .211  .608  .442       .0875
OS3a  .206  .587  .073   1/3 .1621
OS3b  .215  .608  .042   2/3 .1251
OS3c  .265  .635  .970   1/3 .1596
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Clinotobermorite
Download hom/clinotobermorite.pdf
Merlino S, Bonaccorsi E, Armbruster T
 
European Journal of Mineralogy 12 (2000) 411-429
The real structure of clinotobermorite and tobermorite 9 A:
OD character, polytypes, and structural relationships
Sample: MDO2 data collected at Pisa
_database_code_amcsd 0006830
11.274 7.344 11.468 99.18 97.19 90.02 C1
atom       x      y      z  Uiso
Ca1    .3640  .1072  .9228 .0023
Ca1A  -.3634 -.1042 -.9134 .0023
Ca3    .8679  .0998  .8981 .0024
Ca3A  -.8711 -.1001 -.9069 .0024
Ca2    .3113 -.0177  .4289  .025
Si1    .8931  .2046  .1839 .0014
Si1A  -.8941 -.2096 -.1841 .0014
Si2    .9963 -.0362  .3553 .0056
Si2A  -.9950  .0383 -.3608 .0056
Si3    .8949 -.3726  .1869 .0018
Si3A  -.8946  .3688 -.1859 .0018
O1      .913   .124   .310  .013
O1A    -.916  -.128  -.309  .013
O11     .919  -.229   .316  .010
O11A   -.912   .227  -.309  .010
O2      .771  -.343   .115  .004
O2A    -.767   .349  -.108  .004
O21     .765   .149   .106  .008
O21A   -.767  -.151  -.111  .008
O3      .005  -.355   .111  .005
O3A     .003   .357  -.106  .005
O31     .002   .155   .099  .004
O31A    .005  -.161  -.105  .004
O4      .891   .431   .237  .009
O4A    -.895  -.432  -.238  .009
O5      .009  -.002   .497  .014
Wat5    .514   .009   .511  .023
O6      .127  -.041   .311  .014
O6A    -.124   .053  -.319  .014
Wat6   -.335  -.051  -.683  .092
Wat6A   .342   .043   .699  .092
Wat7    .260  -.238   .537  .054
Wat8    .260   .257   .535  .057
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Clinotobermorite
Download hom/clinotobermorite.pdf
Merlino S, Bonaccorsi E, Armbruster T
 
European Journal of Mineralogy 12 (2000) 411-429
The real structure of clinotobermorite and tobermorite 9 A:
OD character, polytypes, and structural relationships
Sample: MDO2 data collected at Bern
_database_code_amcsd 0006831
11.273 7.350 11.498 99.17 97.19 89.97 C1
atom       x      y      z  Uiso
Ca1    .3617  .1076  .9233 .0029
Ca1A  -.3643 -.1044 -.9149 .0029
Ca3    .8709  .0988  .8976 .0025
Ca3A  -.8694 -.1010 -.9056 .0025
Ca2    .3118 -.0190  .4273  .026
Si1    .8933  .2067  .1829 .0016
Si1A  -.8926 -.2073 -.1841 .0016
Si2    .9969 -.0381  .3577 .0066
Si2A  -.9938  .0376 -.3586 .0066
Si3    .8949 -.3723  .1877 .0051
Si3A  -.8962  .3702 -.1872 .0051
O1      .913   .125   .311  .009
O1A    -.914  -.122  -.306  .009
O11     .914  -.221   .314  .012
O11A   -.916   .230  -.312  .012
O2      .770  -.349   .110  .004
O2A    -.769   .346  -.114  .004
O21     .764   .153   .110  .007
O21A   -.769  -.148  -.105  .007
O3      .003  -.351   .113  .005
O3A     .001   .358  -.106  .005
O31     .002   .154   .099  .005
O31A    .004  -.161  -.104  .005
O4      .891   .429   .236  .008
O4A    -.895  -.432  -.237  .008
O5      .009  -.005   .498  .017
Wat5    .508   .009   .508  .026
O6      .122  -.041   .310  .010
O6A    -.128   .046  -.320  .010
Wat6   -.335  -.063  -.691  .072
Wat6A   .335   .041   .695  .072
Wat7    .258  -.231   .542  .045
Wat8    .262   .250   .532  .057
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Clinotobermorite
Download hom/clinotobermorite.pdf
Merlino S, Bonaccorsi E, Armbruster T
 
European Journal of Mineralogy 12 (2000) 411-429
The real structure of clinotobermorite and tobermorite 9 A:
OD character, polytypes, and structural relationships
Sample: MDO1 data collected at Pisa
_database_code_amcsd 0006832
11.276 7.343 22.642 90 97.28 90 Cc
atom      x    y     z  Uiso
Ca1   .8651 .380 .4620 .0061
Ca1A  .1370 .368 .0427 .0061
Ca3   .8671 .881 .4482 .0054
Ca3A  .1288 .870 .0469 .0054
Ca2   .8120 .377 .2147  .028
Si1   .8908 .841 .5914  .001
Si1A  .1048 .833 .9105  .001
Si2   .9982 .123 .6779  .010
Si2A  .0067 .129 .8199  .010
Si3   .8972 .421 .5955  .003
Si3A  .1057 .410 .9055  .003
O1     .909 .970  .653  .004
O1A    .081 .935  .846  .004
O11    .925 .311  .661  .010
O11A   .091 .302  .845  .010
O2     .769 .371  .551  .005
O2A    .230 .376  .938  .005
O21    .766 .889  .557  .004
O21A   .234 .864  .951  .004
O3     .006 .382  .558  .009
O3A    .004 .370  .950  .009
O31   -.001 .866  .548  .001
O31A  -.002 .854  .943  .001
O4     .893 .631  .618  .013
O4A    .108 .626  .882  .013
O5     .009 .102  .749  .010
Wat5   .015 .380  .255  .027
O6     .130 .143  .655  .015
O6A    .878 .124  .839  .015
Wat6   .155 .682  .655  .062
Wat6A  .838 .634  .849  .062
Wat7   .756 .108  .265   .04
Wat8   .760 .604  .272   .06
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Tobermorite
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Merlino S, Bonaccorsi E, Armbruster T
 
European Journal of Mineralogy 12 (2000) 411-429
The real structure of clinotobermorite and tobermorite 9 A:
OD character, polytypes, and structural relationships
Sample: MDO2
_database_code_amcsd 0006833
11.156 7.303 9.566 101.08 92.83 89.98 C-1
atom     x      y      z occ Uiso
Ca1  .3713  .0981 -.1040     .017
Ca2   .499   .460   .502  .5 .035
Ca3  .3647  .5966 -.1175     .017
Si1  .3859  .2158  .2234     .013
Si2  .3181 -.0193  .4343     .025
Si3  .3883  .6416  .2173     .015
O1    .390   .150   .377     .030
O11   .390  -.209   .371     .024
O2    .499   .663   .121     .024
O21   .502   .152   .136     .018
O3    .268   .649   .118     .013
O31   .267   .163   .133     .018
O4    .403   .441   .277     .022
O6    .179  -.040   .384     .041
OH6   .152   .488   .390     .050
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Tobermorite
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Merlino S, Bonaccorsi E, Armbruster T
 
European Journal of Mineralogy 13 (2001) 577-590
The real structure of tobermorite 11A: normal and anomalous forms,
OD character and polytypic modifications
Note: sample MD01
Locality: Wessels mine, South Africa
_database_code_amcsd 0006884
11.265 7.386 44.970 90 90 90 F2dd
atom     x     y     z  Uiso
Ca1  .0048 .9977 .1034 .0078
Ca3  .9984 .5009 .1026 .0074
Si1  .2500 .2900 .0790  .006
Si2  .1760 -.001 .0356  .008
Si3  .2518 .7077 .0789  .004
O1    .136  .263 .1006  .003
O1b   .138  .757 .0975  .007
O2    .620  .505 .1511  .011
O2b   .620  .003 .1541  .007
O3    .183     0     0  .017
O5    .251  .499 .0667  .010
O6    .248  .179 .0475  .019
O6b   .244  .824 .0476  .011
O7    .034  .007 .0457  .024
O7b   .996  .508 .0478  .044
Wat2  .692     0     0   .06
Wat3  .416  .298  .001   .06
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Tobermorite
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Merlino S, Bonaccorsi E, Armbruster T
 
European Journal of Mineralogy 13 (2001) 577-590
The real structure of tobermorite 11A: normal and anomalous forms,
OD character and polytypic modifications
Note: sample MD02
Locality: Wessels mine, South Africa
_database_code_amcsd 0006885
6.735 7.385 22.487 90 90 123.25 Bm
atom     x     y      z  Uiso
Ca1  .2651 .4328 .20557 .0085
Ca3  .7499 .9228 .29348 .0074
Si1  .7581 .3862 .15738 .0054
Si2  .9087 .7531 .07117 .0086
Si3  .7592 .9697 .15773 .0056
O1    .771 .5059  .0942  .014
O2    .759  .178  .1327 .0127
O3    .985 .5369  .1982 .0091
O4    .519 .3063  .1942  .012
O5    .894  .746      0  .017
O6    .188  .893  .0940  .018
Wat6  .270  .434  .0939  .045
O7    .770 .8601  .0951  .015
O8    .523 .8110  .1950  .011
O9    .987 .0459  .1985  .010
Wat1  .427  .219      0   .14
Wat2  .879  .237      0  .060
Wat3  .422  .800      0   .13
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Tobermorite
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Merlino S, Bonaccorsi E, Armbruster T
 
European Journal of Mineralogy 13 (2001) 577-590
The real structure of tobermorite 11A: normal and anomalous forms,
OD character and polytypic modifications
Note: sample MDO2 - conventional X-ray source
Locality: Bascenov, Urals, Russia
_database_code_amcsd 0006886
6.732 7.369 22.680 90 90 123.18 Bm
atom     x     y     z occ Uiso
Ca1  .2632 .4310 .2069     .011
Ca2   .559  .078  .044 .25 .035
Ca3  .7519 .9228 .2945     .009
Si1   .757 .3876 .1574     .007
Si2   .915  .756 .0710     .015
Si3   .758  .967 .1589     .007
O1    .754  .499 .0949     .018
O2    .772  .185 .1328     .014
O3    .992  .537 .1971     .011
O4    .523  .312 .1946     .015
O5    .898  .752     0     .017
O6    .197  .896 .0949     .018
Wat6  .237  .416  .097      .09
O7    .752  .853 .0972     .017
O8    .524  .807 .1962     .008
O9    .984  .045 .2002     .011
Wat1   .42   .26 -.020  .5  .13
Wat2  .922  .250     0      .07
Wat3   .40   .76 -.019  .5  .10
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Tobermorite
Download hom/tobermorite.pdf
Merlino S, Bonaccorsi E, Armbruster T
 
European Journal of Mineralogy 13 (2001) 577-590
The real structure of tobermorite 11A: normal and anomalous forms,
OD character and polytypic modifications
Note: MDO2 - synchrotron radiation source
Locality: Bascenov, Urals, Russia
_database_code_amcsd 0006887
6.732 7.369 22.680 90 90 123.18 Bm
atom    x     y     z occ Uiso
Ca1  .277 .4257 .2083     .024
Ca2  .562  .064  .045 .25 .038
Ca3  .763  .916 .2951     .027
Si1  .771  .383 .1578     .031
Si2  .925  .750 .0721     .030
Si3  .772  .962 .1596     .027
O1   .774  .495 .0932     .039
O2   .762  .169 .1305     .019
O3   .002  .527 .2000     .032
O4   .536  .304 .1926     .035
O5   .910  .747     0     .034
O6   .202  .887 .0942     .053
Wat6 .289  .436  .094     .076
O7   .769  .843 .0953     .027
O8   .537  .798 .1968     .036
O9   .004  .043 .2008     .034
Wat1 .433  .223 -.025  .5 .072
Wat2 .949  .256     0      .08
Wat3  .43   .77 -.022  .5  .09
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Marinellite
 
Bonaccorsi E, Orlandi P
 
European Journal of Mineralogy 15 (2003) 1019-1027
Marinellite, a new feldspathoid of the cancrinite-sodalite group
_database_code_amcsd 0007021
12.880 12.880 31.761 90 90 120 P31c
atom     x     y     z occ Uiso
K1   .2320 .1159 .1808     .050
K2   .2302 .1164 .3391 .79 .035
Na2  .2302 .1164 .3391 .21 .035
Na1   .201  .401 .0856 .25 .039
Ca1   .201  .401 .0856 .25 .039
Ca1b  .160  .316 .1001 .25 .039
Na1b  .160  .316 .1001 .25 .039
Na2  .6882  .844 .2608     .031
Na3   .153  .839 .4259     .020
Ca1     .0    .0 .5256 .31 .017
Na1     .0    .0 .5256 .19 .017
Ca1b    .0    .0  .507 .17 .017
Na1b    .0    .0  .507 .11 .017
Na4    1/3   2/3  .159  .5 .022
Na4b   1/3   2/3  .186  .5 .022
Na5    1/3   2/3 .3783  .5 .013
Na5b   1/3   2/3 .3553  .5 .013
Na6    2/3   1/3  .102  .5 .049
Na6b   2/3   1/3  .065  .5 .049
Na7    2/3   1/3  .283  .5 .030
Na7b   2/3   1/3  .247  .5 .030
Na8    2/3   1/3  .469  .5 .022
Na8b   2/3   1/3  .452  .5 .022
Na9   .019  .511 .0161 .37 .031
Ca9   .019  .511 .0161 .13 .031
Na9b  .919  .457 .0036 .32 .031
Ca9b  .919  .457 .0036 .18 .031
Si1  .2510 .9984 .0144     .009
Si2  .9171 .5809 .0975     .009
Si3  .9164 .5839 .4302     .009
Si4  .5863 .6698 .1800     .009
Si5  .5850 .6716 .3468     .009
Si6  .5840 .9170 .7634     .008
Al1  .7480 .0022 .0132     .011
Al2  .4110 .0814 .0972     .011
Al3  .4170 .0815 .4297     .011
Al4  .5811 .9241 .1804     .008
Al5  .5798 .9230 .3455     .008
Al6  .4137 .0769 .2637     .008
O1    .333  .013  .052     .052
O1b   .327  .007  .471     .052
O2    .970  .639 .0487     .009
O2b   .995  .688 .4655     .009
O3    .217  .103 .0123     .026
O3b   .248  .120 .5250     .026
O4    .418  .212 .1062     .033
O4b   .453  .229 .4300     .033
O5    .330  .356 .1321     .013
O5b   .364  .343 .3836     .013
O6    .650  .664  .135     .036
O6b   .659  .662  .386     .036
O7    .887  .441 .0942     .033
O7b   .918  .463 .4407     .033
O8    .665  .661 .2171     .024
O8b   .647  .681 .2999     .024
O9    .360  .330 .2166     .013
O9b   .338  .354 .2994     .013
O10   .594  .795 .1873     .017
O10b  .595  .798 .3548     .017
O11   .432  .876 .1826     .019
O11b  .427  .872 .3468     .019
O12   .405  .205 .2714     .020
O13   .881  .445 .2652     .022
S1      .0    .0 .1163     .075
OA1     .0    .0 .0703      .12
OB1   .072  .121  .131      .04
S2      .0    .0 .2559     .038
OA2     .0    .0 .3020  .5  .12
OB2   .038  .113  .232  .5  .06
OA2b    .0    .0 .2099  .5  .12
OB2b  .068  .115  .277  .5 .036
S3      .0    .0 .4092     .036
OA3     .0    .0  .450      .12
OB3   .062  .121 .3886     .076
S4     1/3   2/3  .467      .11
OA4    1/3   2/3  .421  .5  .12
OB4    .40   .62  .491  .5  .10
OA4b   1/3   2/3  .513  .5  .12
OB4b  .463  .727  .444  .5  .04
Cl5   .372  .667 .0589 .33 .043
Wat1   .31  .609  .265 .33  .09
Wat2   2/3   1/3  .357      .06
Wat3  .712   .34  .185 .33  .07
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Balliranoite
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Chukanov N V, Zubkova N V, Pekov I V, Olysych L V, Bonaccorsi E,
Pushcharovsky D Y
 
European Journal of Mineralogy 22 (2010) 113-119
Balliranoite, (Na,K)6Ca2(Si6Al6O24)Cl2(CO3), a new cancrinite-group mineral
from Monte Somma - Vesuvio volcanic complex, Italy
Locality: Monte Somma, Italy
_database_code_amcsd 0007335
12.695 12.695 5.325 90 90 120 P6_3
atom       x      y      z  occ   Uiso
NaM    .1181  .2424  .2786 .581  .0560
CaM    .1181  .2424  .2786 .060  .0560
KM     .1181  .2424  .2786 .089  .0560
NaM'   .1537  .3136  .2744 .215   .073
CaM'   .1537  .3136  .2744 .022   .073
KM'    .1537  .3136  .2744 .033   .073
Ca       2/3    1/3 .21614       .0230
Si    .32774 .40839  .7500      .00996
Al    .06985 .40885 .75030      .01012
O(1)  .21314 .42747  .7131       .0250
O(2)  .09954 .55634  .7423       .0193
O(3)  .00565 .32843  .0267       .0232
O(4)  .31568 .33819  .0107       .0217
Cl       1/3    2/3  .2176  .58   .082
Cl      .311  .6326   .222  .14   .062
S          0      0   .247  .15  .0416
O(S1)      0      0   .952  .15   .046
O(S2)   .064   .119   .387  .15   .121
C(1)       0      0  .1496  .30   .048
O(C1)  .1152  .0606  .1496  .30  .0504
C(2)       0      0   .333  .15   .011
O(C2)  .1152   .059   .333  .15   .106
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Disulfodadsonite
 
Orlandi P, Biagioni C, Moelo Y, Bonaccorsi E
 
European Journal of Mineralogy 25 (2013) 1005-1016
Lead-antimony sulfosalts from Tuscany (Italy). XIV. Disulfodadsonite,
Pb11Sb13S30(S2)0.5, a new mineral from the Ceragiola marble quarry,
Apuan Alps: occurrence and crystal structure
Locality: Ceragiola marble quarry, Apuan Alps, Tuscany, Italy
_database_code_amcsd 0020026
4.1192 17.4167 19.1664 96.127 90.015 91.229 P-1
atom     x     y     z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb1  .4694 .1745 .2846     .0199   .020   .027   .014   .002  -.003   .004
Pb2  .4678 .7563 .1034     .0188   .020   .024   .013   .003   .000   .005
Pb3  .4553 .2687 .4962     .0186   .017   .024   .015   .001   .000   .000
Pb4  .5001 .1117 .0682     .0261   .023   .034   .022   .003  -.003   .009
Pb5  .4645 .6517 .2794     .0219   .018   .037   .012   .007   .002   .008
Sb1  .8898 .5401 .0921 .71  .024   .028   .028   .016  -.005  -.002   .011
Pb1  .8898 .5401 .0921 .29  .024   .028   .028   .016  -.005  -.002   .011
Sb2a  .953 .9730 .2101 .72  .036   .062   .019   .027   .005  -.008   .009
Sb2b  .977 .9550 .1352 .28  .036   .062   .019   .027   .005  -.008   .009
Sb3  .3173 .4796 .4208      .020   .017   .029   .015  -.004  -.005   .010
Sb4  .8395 .4077 .2505 .91  .026   .035   .025   .018  -.001   .006   .000
Pb4  .8395 .4077 .2505 .09  .026   .035   .025   .018  -.001   .006   .000
Sb5  .0652 .8548 .3558      .037   .059   .016   .039   .011   .022   .010
Sb6  .9035 .6719 .9211      .027   .044   .022   .014   .013  -.014  -.002
Sb7   .053  .058  .418 .10  .027   .038   .019   .027   .010  -.001   .007
Sb8   .905 .0610 .4290 .90  .027   .038   .019   .027   .010  -.001   .007
S    -.004 -.010 .0191  .5  .027    .04   .014    .03   .004  -.017   .004
S1    .965 .3984 .4842      .019   .032   .011   .015  -.001   .015   .002
S2    .008 .7249 .3889      .016   .019   .016   .014   .006   .003  -.002
S3    .979 .7898 .0024      .013   .013   .020   .007   .003  -.003   .006
S4    .972 .1932 .3966      .016   .019   .017   .012   .001   .003   .005
S5    .969 .6665 .1737      .013   .005   .026   .009   .008   .004   .006
S6    .483 .6124 .0160      .022   .023   .019   .022  -.002   .006  -.003
S7    .504 .8169 .2679      .025   .047   .014   .014  -.002   .008  -.001
S8    .984 .1043 .1849      .020   .011   .039   .011   .001  -.007   .015
S9a   .500 .9433 .1212 .67  .061    .14   .014   .023  -.009  -.044   .005
S9b    .29  .931  .101 .33  .061    .14   .014   .023  -.009  -.044   .005
S10   .461 .4919 .1789      .021   .025   .027   .009  -.003   .001  -.000
S11   .510 .2704 .1464      .020   .039   .010   .012   .003  -.013   .003
S12   .516 .8907 .4705      .027   .041   .020   .020   .002   .007   .004
S13   .479 .0278 .3282      .018   .022   .017   .014   .000  -.009   .005
S14   .938 .5278 .3323      .013   .019   .014   .007  -.000  -.006   .007
S15   .415 .3581 .3302      .016   .026   .014   .008   .000   .010   .002
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Microsommite
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Bonaccorsi E, Comodi P, Merlino S
 
Physics and Chemistry of Minerals 22 (1995) 367-374
Thermal behaviour of davyne-group minerals
Sample: T = 293 K
_database_code_amcsd 0007925
12.784 12.784 5.346 90 90 120 P6_3
atom      x     y     z occ  Uiso
Ca      1/3   2/3  .075     .0138
Cl    .3621  .681  .253 1/3  .052
Na    .1517 .3089  .307  .5  .029
K     .2193 .1125  .798 .33  .040
Na    .2193 .1125  .798 .17  .040
S1        0     0  .300 .44  .033
OA1       0     0  .587 .22   .08
OA2       0     0  .013 .22   .08
OB1    .063  .116  .187 .22   .08
OB2    .052  .121  .403 .22   .06
Cl'    .097  .090   .08 .04   .08
Si    .3278 .4098 .7825     .0069
Al    .0696 .4099 .7806     .0073
O1    .2117 .4253  .747      .019
O2    .1067 .5599  .774      .018
O3   -.0229 .3178  .536      .018
O4    .0037 .3326  .053      .012
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Microsommite
Download hom/microsommite.pdf
Bonaccorsi E, Comodi P, Merlino S
 
Physics and Chemistry of Minerals 22 (1995) 367-374
Thermal behaviour of davyne-group minerals
Sample: T = 943 K
_database_code_amcsd 0007926
12.871 12.871 5.371 90 90 120 P6_3/m
atom      x     y     z occ Uiso
Ca      1/3   2/3   3/4     .036
Cl     .303  .628   1/4 1/3 .097
Na     .158  .317   1/4  .5 .077
K      .231  .119   3/4 .33 .106
Na     .231  .119   3/4 .17 .106
S1        0     0   1/4 .44 .091
OA        0     0     0 .15  .10
OB    .0603 .0985 .1061 .18  .12
OC    .0358 .1224   1/4 .09  .10
Cl'   .0297 -.828 .8818 .02  .08
Si    .3298 .4124   3/4     .016
Al    .0715 .4122   3/4     .017
O1    .2096 .4219   3/4     .035
O2    .1085 .5615   3/4     .035
O3   -.0083 .3312 1.009     .035
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Microsommite
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Bonaccorsi E, Merlino S, Pasero M, Macedonio G
 
Physics and Chemistry of Minerals 28 (2001) 509-522
Microsommite: crystal chemistry, phase transitions,
Ising model and Monte Carlo simulations
_database_code_amcsd 0008599
22.161 22.161 5.358 90 90 120 P6_3
atom       x      y     z  occ  Uiso
K1     .7777  .3350 .8269  .56 .0476
Na1    .7777  .3350 .8269  .44 .0476
K2     .1084  .1100  .329  .56  .032
Na2    .1536  .1559  .331  .44  .014
Na1    .8199  .4890  .329      .0391
Ca   -.00090 .33227 .2735       .012
S1       2/3    1/3  .328       .053
OA1     .638   .312  .008   .2  .092
OA1b    .640   .366   .55 .133  .092
OB1     .608   .333  .444   .6  .092
OB1b    .611   .334  .194   .4  .092
S2         0      0  .324   .5  .024
OA2     .052   .019   .05 .167  .064
OB2a    .056   .057  .253  .28  .064
OB2b    .064   .038  .523  .22  .064
Al1   .90969 .15941 .3055      .0052
Al2   .91586 .42223 .3048      .0069
Al3   .82743 .58464 .8068      .0074
Si1   .83011 .25078 .3090      .0085
Si2   .91379 .49794 .8026      .0054
Si3   .91813 .75445 .8043      .0048
Cl1    .0203  .3471  .785  1/3  .040
Cl2   -.0004  .3423  .770  1/3  .040
Cl3    .0026  .3191  .772  1/3  .040
O1     .8790  .5479 .7677      .0112
O2     .0013  .7873  .774       .016
O3     .8788  .3319 .2706       .016
O4     .8887  .6723  .797       .013
O5    -.0037  .5515  .798       .014
O6     .8837  .2216  .299       .016
O7     .7739  .2206  .083       .020
O8     .8863  .4430 .5762       .017
O9     .8926  .1128  .582       .010
O10    .8879  .4551  .062       .012
O11    .8784  .0975  .067       .013
O12    .7860  .2318  .562       .015
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Krinovite
Download hom/krinovite.pdf
Bonaccorsi E, Merlino S, Pasero M
Download zk/vol187/ZK187_133.pdf
Zeitschrift fur Kristallographie 187 (1989) 133-138
The crystal structure of the meteoritic mineral krinovite, NaNaMg2CrSi3O10
Locality: Wichita County, USA
_database_code_amcsd 0010992
10.238 10.642 8.770 105.15 96.50 125.15 P-1
atom     x     y     z occ  Uiso
NaM8 .2093 .6300 .3901     .0126
NaM9 .6605 .6116 .3737     .0118
MgM3 .3132 .8508 .1787 .92 .0049
FeM3 .3132 .8508 .1787 .08 .0049
MgM4 .7716 .8201 .1500 .94 .0067
FeM4 .7716 .8201 .1500 .06 .0067
MgM5 .0933 .9381 .0600 .96 .0049
FeM5 .0933 .9381 .0600 .04 .0049
MgM6 .5957 .9410 .0615 .98 .0039
FeM6 .5957 .9410 .0615 .02 .0039
CrM1     0     0    .5     .0063
CrM2     0    .5     0     .0071
CrM7 .9943 .7380 .2629     .0052
SiT1 .4759 .2339 .3334     .0030
SiT2 .9820 .2297 .3399     .0021
SiT3 .7877 .3370 .2369     .0028
SiT4 .2770 .3393 .2236     .0047
SiT5 .6475 .9479 .4408     .0040
SiT6 .3555 .5609 .0453     .0038
O1   .3542 .0661 .1665     .0062
O2   .8541 .0633 .1693     .0023
O3   .5555 .9570 .2892     .0040
O4   .0180 .9331 .2751     .0042
O5   .2411 .8752 .3942     .0051
O6   .7576 .8868 .3875     .0032
O7   .4957 .1983 .4997     .0054
O8   .9582 .7855 .4917     .0036
O9   .8928 .3179 .3729     .0055
O10  .4042 .3385 .3553     .0080
O11  .6572 .1691 .0665     .0059
O12  .1544 .1664 .0614     .0044
O13  .5297 .7132 .0338     .0036
O14  .0590 .7238 .0671     .0031
O15  .2436 .6122 .1103     .0040
O16  .7501 .6058 .1319     .0040
O17  .4012 .5035 .1899     .0054
O18  .9364 .5062 .2147     .0056
O19  .1623 .3663 .3180     .0059
O20  .6708 .3640 .3339     .0060
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Bultfonteinite
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Biagioni C, Bonaccorsi E, Merlino S
 
Atti della Societa Toscana di Scienze Naturali, Memorie, Serie A 115 (2010) 9-15
Crystal structure of bultfonteinite, Ca4[SiO3(OH)]2F2*2H2O, from N'chwaning II mine
(Kalahari Manganese Field, Republic of South Africa)
Locality: N'chwaning II mine, South Africa
_database_code_amcsd 0018795
10.999 8.176 5.6678 94.24 89.00 90.18 P-1
atom      x     y     z occ  Uiso
Ca1   .1326 .7934 .7841     .0108
Ca2   .3686 .7940 .2849     .0107
Ca3   .1195 .4778 .2492     .0105
Ca4   .3820 .4804 .7467     .0105
Si1   .4280 .2392 .2142     .0091
Si2   .0701 .2393 .7278     .0089
F1    .2513 .6226 .0130     .0122
F2    .2490 .6230 .5118     .0113
O3    .0438 .0413 .6971  .5 .0132
OH3   .0438 .0413 .6971  .5 .0132
O4    .4563 .0400 .1965  .5 .0152
OH4   .4563 .0400 .1965  .5 .0152
O5    .2810 .2685 .1897  .5 .0133
OH5   .2810 .2685 .1897  .5 .0133
O6    .2172 .2688 .7540  .5 .0119
OH6   .2172 .2688 .7540  .5 .0119
O7    .0101 .3214 .5005     .0120
O8    .0069 .3184 .9647     .0112
Wat9  .1908 .9587 .1603     .0196
Wat10 .3102 .9564 .6566     .0205
O11   .5066 .6809 .0034     .0094
O12   .4867 .3208 .4580     .0112
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Jennite
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Bonaccorsi E, Merlino S, Taylor H F W
 
Cement and Concrete Research 34 (2004) 1481-1488
The crystal structure of jennite, Ca9Si6O18(OH)6*8H2O
Locality: Fuka, Japan
_database_code_amcsd 0012177
10.576 7.265 10.931 101.30 96.98 109.65 P-1
atom     x     y     z Uiso
Ca1  .0601 .3632 .3648 .059
Ca2  .4226 .7984 .3617 .056
Ca3  .0658 .8664 .3769 .061
Ca4  .4289 .2954 .3531 .061
Ca5      0    .5     0 .072
Si1  .8014  .942 .1939 .060
Si2  .7248  .241 .3748 .063
Si3  .7222  .673 .3784 .058
O1    .970  .024  .246 .051
OH2   .273  .962  .308 .069
O3    .588  .129  .423 .047
O4    .872  .318  .487 .057
O5    .742  .121  .246 .068
O6    .720  .747  .249 .060
O7    .701  .433  .331 .071
O8    .756  .859 .0409 .047
O9    .581  .658  .429 .055
O10   .866  .794  .480 .058
OH11  .273  .458  .303 .066
OH12  .985  .542  .230 .065
Wat13 .443  .193  .129 .086
Wat14 .542  .191  .863 .080
Wat1  .914  .143  .941 .079
Wat2  .781  .519  .964 .083
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Plombierite
Download hom/plombierite.pdf
Bonaccorsi E, Merlino S
 
Journal of the American Ceramic Society 88 (2005) 505-512
The crystal of tobermorite 14 A (plombierite) a C-S-H phase
Locality: Ballycraigy, Northern Ireland
_database_code_amcsd 0014073
6.735 7.425 27.987 90 90 123.25 Bb
atom     x    y      z occ  Uiso
Cal   .737 .425  .2852     .0290
Ca3   .251 .428  .2147     .0290
Sil   .750 .386  .1752      .036
Si2   .895 .750  .1041      .046
Si3   .743 .961  .1751      .030
O1    .752 .512  .1248      .031
O2    .760 .189  .1542      .042
O3    .972 .554  .2070      .024
O4    .518 .301  .2065      .019
O5    .887 .250 -.0482      .081
OH6   .182 .888  .1175      .062
Wat6  .292 .445  .1296      .051
O7    .759 .860  .1252      .051
O8    .501 .824  .2067      .019
O9    .982 .033  .2069      .052
Wat1 -.050 .769  -.056       .10
Wat2  .461 .787  -.003  .5   .07
Wat3  .297 .212   .003  .5   .08
Ca2   .879 .994  .0019  .5  .070
Wat4  .733 .429   .000  .5  .070
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Giuseppettite
Download hom/giuseppettite.pdf
Bonaccorsi E
 
Microporous and Mesoporous Materials 73 (2004) 129-136
The crystal structure of giuseppettite, the 16-layer member of the cancrinite-
sodalite group
Locality: Sacrofano, Biachella Valley, Latium, Italy
_database_code_amcsd 0014409
12.856 12.856 42.256 90 90 120 P31c
atom       x      y      z  occ Uiso
NaK1   .1150 -.1158  .1072 .261 .045
K1     .1150 -.1158  .1072 .739 .045
K2     .7709  .8844  .2287      .047
K3    -.7695 -.8851 -.1503 .953 .066
NaK3  -.7695 -.8851 -.1503 .047 .066
Ca1        0      0 -.0187 .280 .024
Na1        0      0 -.0187 .148 .024
Ca1b       0      0 -.0340 .375 .024
Na1b       0      0 -.0340 .197 .024
Na1   -.3104 -.1545  .5433      .037
Na2    .8475  .6912  .1679      .037
Na3    .8490  .6906 -.7082      .034
Na4    .3160   .159 -.5865 .209 .044
Ca4    .3160   .159 -.5865 .425 .044
Na4b   .3970   .203 -.5778 .120 .044
Ca4b   .3970   .203 -.5778 .245 .044
Na5      2/3    1/3  .2198   .5 .037
Na5b     2/3    1/3  .2095   .5 .037
Na6      2/3    1/3  .0852      .072
Na7      1/3    2/3  .8682   .5 .028
Na7b     1/3    2/3  .8473   .5 .028
Na8      2/3    1/3  .7766      .050
Na9      2/3    1/3 -.0616   .6 .036
Na9b     2/3    1/3 -.0920   .4 .036
Na10     1/3    2/3  .1487   .6 .042
Na10b    1/3    2/3  .1575   .4 .042
Na11    .498   .506  .9762   .5 .024
Na11b   .536   .464  .9841   .5 .024
Na12     1/3    2/3  .0234   .6 .038
Na12b    1/3    2/3  .0066   .4 .038
Si1    .2527  .0010 -.0229      .016
Si2    .4149  .0846 -.7732      .015
Si3   -.5829 -.6642 -.0856      .017
Si4   -.5851 -.6673  .5398      .017
Si5    .4135  .0856  .1025      .019
Si6    .4145  .0836 -.6484      .019
Si7   -.5862 -.6676 -.2103      .016
Si8   -.5860 -.6678  .6647      .016
Al1   -.2528  .0005 -.0229      .021
Al2   -.4157 -.0745  .7268      .021
Al3    .5842  .6656  .0408      .022
Al4    .5876  .6699 -.5854      .022
Al5   -.4164 -.0756 -.1482      .017
Al6   -.4176 -.0751  .6025      .017
Al7    .5849  .6621  .1653      .019
Al8    .5857  .6623 -.7103      .019
O1     .4058  .2077  .2217      .036
O2     .4342  .5526  .1623      .031
O3    -.4472 -.5663 -.2123      .031
O4      .341  -.013  .0756      .042
O5     -.353  -.011 -.1133      .041
O6     -.344   .012  .5711      .041
O7      .357   .033 -.6118      .042
O8      .453   .539  .0323      .054
O9     -.448  -.551 -.0811      .054
O10     .553  .1213  .1025      .031
O11   -.5711 -.1257 -.1499      .031
O12    .1264 -.1163 -.0310      .044
O13    -.115   .111 -.0204      .044
O14    .4012  .2030  .0985      .044
O15   -.4089 -.2039 -.1506      .044
O16     .557  .1241  .2261      .036
O17     .303  -.011  .0131      .048
O18    -.322   .013 -.0536      .052
O19    -.314   .011  .5113      .052
O20     .335  -.021 -.5472      .048
O21    .5969  .7996  .1629      .048
O22    .4065  .2054  .7874      .048
O23     .677   .644  .1377      .048
O24    -.652  -.664 -.1784      .043
O25    -.662  -.651  .6371      .043
O26     .653   .670 -.6729      .048
O27     .645   .663  .2019      .034
O28    -.661  -.658 -.2387      .055
O29    -.650  -.661  .6964      .055
O30     .676   .642 -.7374      .034
O31     .562  .7837  .0420      .064
O32    -.569  -.780 -.0912      .064
S1         0      0  .0557      .065
OA1        0      0  .0245      .101
OB1    -.058  -.122  .0669      .083
S2         0      0  .6684      .057
OA2     .034   .084   .641  1/3  .07
OB2    -.117  -.058  .6780      .127
S3         0      0 -.7118      .064
OA3     .955   .879 -.6953      .056
OB3     .110   .048 -.7361  1/3 .082
S4         0      0 -.1013      .058
OA4     .079   .067  -.071  1/3  .14
OB4     .076   .129 -.1161       .17
Cl5     .628   .333  .0064  1/6  .11
S5       2/3    1/3   .024   .5  .14
OA5     .604   .278  -.009  1/6  .01
OB5     .531   .265  .0301   .5 .027
Cl6      1/3    2/3  -.076   .5  .18
S6       1/3    2/3  -.057   .5 .091
OA6     .398   .786 -.0341  1/6  .07
OB6     .271   .541  -.072   .5  .11
Wat1     2/3    1/3  -.147  .49  .10
Wat2     1/3    2/3   .103  .49  .10
Wat3     2/3    1/3  -.278  .49  .10
Wat4     2/3    1/3   .293  .49  .10
Wat5     1/3    2/3  -.339  .49  .10
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Sahlinite
Download hom/sahlinite.pdf
Bonaccorsi E, Pasero M
Download mm/vol67/MM67_15.pdf
Mineralogical Magazine 67 (2003) 15-21
Crystal structure refinement of sahlinite, Pb14(AsO4)2O9Cl4
Locality: Langban, Sweden
_database_code_amcsd 0014564
12.704 22.576 11.287 90 118.37 90 C2/c
atom      x      y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb1  .11429 .08398 .18224  .0211  .0072  .0191 -.0005  .0136 -.0007
Pb2  .36895 .08654 .07549  .0213  .0108  .0213 -.0001  .0139 -.0018
Pb3  .12639 .42056 .45084  .0228  .0114  .0193  .0021  .0133  .0022
Pb4  .37823 .41754 .30760  .0239  .0121  .0184  .0039  .0142  .0014
Pb5  .35314 .19520 .29905  .0253  .0084  .0217 -.0033  .0157 -.0023
Pb6  .12256 .19867 .42339  .0235  .0098  .0217 -.0042  .0157 -.0041
Pb7  .39927 .30312 .06056  .0214  .0082  .0194  .0006  .0130  .0021
As    .1364 .32136  .1776  .0241  .0151  .0206  .0011  .0142 -.0012
Cl1   .3739  .5000  .0623   .028   .025   .023  -.007   .017  -.003
Cl2   .3798  .0144  .3088   .022   .026   .025   .002   .015   .000
O1     .236  .1435   .111   .023   .008   .015   .001   .010   .002
O2     .255  .1373   .381   .023   .013   .014  -.006   .014  -.004
O3     .473  .3575   .486   .033   .020   .014   .003   .016   .000
O4     .013  .3531   .047   .021   .023   .033   .002   .009   .002
O5     .252  .3396   .145   .028   .029   .032  -.005   .026  -.004
O6        0  .1456   .250   .023   .005   .015      0   .011      0
O7       .5  .1429   .250   .020   .014   .020      0   .011      0
O8       .5  .3674   .250   .028   .014   .020      0   .020      0
O9     .174  .3515   .329   .046   .030   .029   .002   .023  -.012
O10    .122  .2490   .181   .054   .010   .031  -.004   .029  -.002
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Arsiccioite
 
Biagioni C, Bonaccorsi E, Moelo Y, Orlandi P, Bindi L, D'Orazio M, Vezzoni S
 
Mineralogical Magazine 78 (2014) 101-117
Mercury-arsenic sulfosalts from the Apuan Alps (Tuscany, Italy).
II. Arsiccioite, AgHg2TlAs2S6, a new mineral from the Monte Arsiccio mine:
occurrence, crystal structure and crystal chemistry of the routhierite isotypic series
Note: sample A
Locality: Monte Arsiccio mine, Apuan Alps, Tuscany, Italy
_database_code_amcsd 0020024
10.1386 10.1386 11.3441 90 90 90 I-42m
atom      x      y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Tl1       0      0   .345 .36  .043   .056   .056   .017  -.010      0      0
Tl2    .026  -.026  .3588 .64  .043   .056   .056   .017  -.010      0      0
HgM1      0     .5    .75 .65 .0396  .0295  .0295  .0597      0      0      0
AgM1      0     .5    .75 .14 .0396  .0295  .0295  .0597      0      0      0
CuM1      0     .5    .75 .13 .0396  .0295  .0295  .0597      0      0      0
ZnM1      0     .5    .75 .08 .0396  .0295  .0295  .0597      0      0      0
HgM2 .22008     .5     .5 .63 .0339  .0452  .0327  .0238      0      0 -.0050
AgM2 .22008     .5     .5 .37 .0339  .0452  .0327  .0238      0      0 -.0050
As   .25816 .25816 .25354 .79 .0225  .0235  .0235  .0204  .0031 -.0032 -.0032
Sb   .25816 .25816 .25354 .21 .0225  .0235  .0235  .0204  .0031 -.0032 -.0032
S1    .0949  .3284  .3797     .0244   .026   .026   .021  -.002   .005  -.008
S2    .1232  .1232  .1428     .0220   .025   .025   .016  -.002  -.003  -.003
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Trikalsilite
Download hom/trikalsilite.pdf
Bonaccorsi E, Merlino S, Pasero M
 
Neues Jahrbuch fur Mineralogie, Monatshefte 1988 (1988) 559-567
Trikalsilite: its structural relationships with nepheline and tetraskalsilite
Locality: Near Mt. Nyiragongo, Virunga volcanic field, North Kivu, Zaire
_database_code_amcsd 0014833
15.339 15.339 8.501 90 90 120 P6_3
atom     x     y     z occ Biso
NaM2 .3689 .0133   .75  .7  1.9
KM2  .3689 .0133   .75  .3  1.9
KM1      0     0 .7553      1.4
KM3  .2922 .3195 .7474  .7  1.5
NaM3 .2922 .3195 .7474  .3  1.5
KM4    1/3   2/3 .7371      2.6
KM5    2/3   1/3 .7601       .9
Al1  .4453 .2351 .5537       .5
Al2  .0544 .2147 .5638      1.0
Al3  .4147 .5354 .5614       .7
Si1  .1947 .4374 .4373       .5
Si2  .2196 .1593 .4361      1.1
Si3  .5663 .4572 .4425       .7
O1    .183  .432  .253      5.3
O2    .201  .184  .255      1.7
O3    .560  .453  .250      7.5
O4    .197  .542  .472      1.7
O5    .546  .348  .494      1.1
O6    .108  .343  .516      1.7
O7    .335  .227  .479      2.6
O8    .154  .190  .556       .7
O9    .173  .037  .445      1.2
O10   .305  .448  .458      1.3
O11   .458  .140  .479      1.3
O12   .493  .487  .527      3.3
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Davyne
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Bonaccorsi E, Merlino S, Pasero M
 
Neues Jahrbuch fur Mineralogie, Monatshefte 1990 (1990) 97-112
Davyne: its structural relationships with cancrinite and vishnevite
Locality: Monte Somma, Vesuvius, Italy
_database_code_amcsd 0014841
12.705 12.705 5.368 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)
K     .2217 .1136    .75  .29  .061  .0837  .0402  .0755  .0424      0      0
NaK   .2217 .1136    .75  .21  .061  .0837  .0402  .0755  .0424      0      0
Na    .1510 .3097    .25   .5  .052  .0344  .1044  .0381  .0504      0      0
Ca      1/3   2/3    .75      .0099  .0093  .0093  .0111  .0047      0      0
Al    .0691 .4086    .75      .0062  .0052  .0057  .0082  .0030      0      0
Si    .3284 .4093    .75      .0045  .0046  .0057  .0034  .0028      0      0
S         0     0    .25  1/3  .053
O1    .2145 .4307    .75      .0142  .0086  .0161  .0207  .0082      0      0
O2    .1002 .5567    .75      .0140  .0143  .0087  .0196  .0063      0      0
O3   -.0087 .3230  .0084      .0148  .0193  .0139  .0132  .0098  .0083  .0040
Cl    .3150 .6372    .25  1/3  .039  .0536  .0501  .0098  .0234      0      0
OA    .0400 .0200  .0200 1/18  .090
OB    .0701 .1132  .3746  1/6  .090
Cl'   .0490 .0400 -.0750 1/18  .156
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Baghdadite
Download hom/baghdadite.pdf
Biagioni C, Bonaccorsi E, Perchiazzi N, Merlino S
 
Periodico di Mineralogia 79 (2010) 1-9
Single crystal refinement of the structure of baghdadite from
Fuka (Okayama Prefecture, Japan)
Locality: Fuka, Okayama Prefecture, Japan
_database_code_amcsd 0017879
10.432 10.163 7.356 90 90.96 90 P2_1/a
atom      x      y      z occ  Uiso
Ca1  .59869 .19131 .62743     .0098
Ca2  .58822 .17104 .11794     .0095
Ca3  .61464 .57760 .63440     .0104
Zr   .11369 .93630 .12244 .86 .0069
Ti   .11369 .93630 .12244 .14 .0069
Si1  .81585 .37539 .83442     .0073
Si2  .80773 .36541 .40244     .0070
O1    .7747  .3929  .6177     .0156
O2    .7545  .0032  .0833     .0108
O3    .0324  .6169  .1402     .0156
O4    .7427  .7342  .1056     .0135
O5    .2237  .2650  .3565     .0112
O6    .7596  .4998  .3088     .0147
O7    .9573  .3344  .3779     .0130
O8    .5104  .3899  .0943     .0107
O9   -.0152  .1095  .6603     .0125
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Total number of retrieved datasets: 50
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