Pitiglianoite
	Merlino S, Mellini M, Bonaccorsi E, Pasero M, Leoni L, Orlandi P
	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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	Clinotobermorite
	Merlino S, Bonaccorsi E, Armbruster T
	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
	Merlino S, Bonaccorsi E, Armbruster T
	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
	Merlino S, Bonaccorsi E, Armbruster T
	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
	Bonaccorsi E, Merlino S, Orlandi P
	American Mineralogist 92 (2007) 198-203
	Zincalstibite, a new mineral, and cualstibite: Crystal chemical and structural
	relationships
	_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
	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
	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
	Merlino S, Bonaccorsi E, Grabezhev A I, Zadov A E, Pertsev N N, Chukanov N V
	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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	Tazieffite
	Zelenski M, Garavelli A, Pinto D, Vurro F, Moelo Y, Bindi L, Makovicky E, Bonaccorsi E
	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
	Ballirano P, Merlino S, Bonaccorsi E, Maras A
	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
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	IMA2008-065
	Ballirano P, Bonaccorsi E, Merlino S
	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
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	Franzinite
	Ballirano P, Bonaccorsi E, Maras A, Merlino S
	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
	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
	Pinto D, Balic-Zunic T, Bonaccorsi E, Borodaev Y S, Garavelli A, Garbarino C,
	Makovicky E, Mozgova N N, Vurro F
	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
	Pinto D, Balic-Zunic T, Bonaccorsi E, Borodaev Y S, Garavelli A, Garbarino C,
	Makovicky E, Mozgova N N, Vurro F
	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
	Orlandi P, Bonaccorsi E
	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
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	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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	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
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Rhonite
	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
	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
	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
	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
	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
	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
	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
	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
	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
	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
	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
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Tobermorite
	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
	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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	Microsommite
	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
	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
	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
	Bonaccorsi E, Merlino S, Pasero M
	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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	Jennite
	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
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Plombierite
	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
	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
	Bonaccorsi E, Pasero M
	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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	Trikalsilite
	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
	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
	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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	Bultfonteinite
	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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