Terranovaite
	Galli E, Quartieri S, Vezzalini G, Alberti A, Franzini M
	American Mineralogist 82 (1997) 423-429
	Terranovaite from Antarctica: A new 'pentasil' zeolite
	_database_code_amcsd 0001886
	9.747 23.880 20.068 90 90 90 Cmcm
	atom x y z occ Biso
	Si1 0 .4524 .3281 .85 1.01
	Al1 0 .4524 .3281 .15 1.01
	Si2 0 .5440 .4396 .85 1.18
	Al2 0 .5440 .4396 .15 1.18
	Si3 .7919 .3604 .3728 .85 1.28
	Al3 .7919 .3604 .3728 .15 1.28
	Si4 .7917 .6392 .4694 .85 1.13
	Al4 .7917 .6392 .4694 .15 1.13
	Si5 0 .1806 .4414 .85 1.07
	Al5 0 .1806 .4414 .15 1.07
	Si6 0 .7321 .4365 .85 1.01
	Al6 0 .7321 .4365 .15 1.01
	Si7 0 .2697 .3272 .85 1.15
	Al7 0 .2697 .3272 .15 1.15
	Si8 0 .8252 .3289 .85 1.02
	Al8 0 .8252 .3289 .15 1.02
	O1 0 .4692 .25 3.41
	O2 0 .5113 .3679 3.97
	O3 .1367 .4160 .3453 3.74
	O4 0 .5 .5 5.66
	O5 .8630 .5836 .4415 3.97
	O6 .1958 .3683 .4512 5.04
	O7 .6325 .3623 .3488 3.16
	O8 .8661 .3057 .3415 3.47
	O9 .3663 .6374 .4453 2.34
	O10 .8655 .6932 .4377 3.03
	O11 0 .2124 .3685 2.93
	O12 0 .7751 .4970 3.09
	O13 0 .7648 .3656 2.39
	O14 0 .2515 .25 3.28
	O15 0 .8123 .25 4.01
	Na1 0 .0458 .4442 .05 .7
	Ca1 0 .0458 .4442 .05 .7
	Wat1 0 .0458 .4442 .37 .7
	Na2 0 .0403 .25 .08 1.6
	Ca2 0 .0403 .25 .08 1.6
	Wat2 0 .0403 .25 .56 1.6
	Na3 .3578 .4603 .25 .11 9.2
	Ca3 .3578 .4603 .25 .11 9.2
	Wat3 .3578 .4603 .25 .76 9.2
	Na4 .1457 .0399 .3495 .08 9.5
	Ca4 .1457 .0399 .3495 .08 9.5
	Wat4 .1457 .0399 .3495 .58 9.5
	Na5 0 .6982 .25 .06 9.5
	Ca5 0 .6982 .25 .06 9.5
	Wat5 0 .6982 .25 .44 9.5
	Na6 0 .9509 .4405 .06 9.5
	Ca6 0 .9509 .4405 .06 9.5
	Wat6 0 .9509 .4405 .44 9.5
	Na7 .9089 .1288 .25 .06 9.5
	Ca7 .9089 .1288 .25 .06 9.5
	Wat7 .9089 .1288 .25 .44 9.5
	Na8 .3519 .4804 .4598 .04 8.2
	Ca8 .3519 .4804 .4598 .04 8.2
	Wat8 .3519 .4804 .4598 .29 8.2
	Na9 0 .9651 .3547 .03 4.1
	Ca9 0 .9651 .3547 .03 4.1
	Wat9 0 .9651 .3547 .20 4.1
	Na10 0 .5972 .25 .06 11.8
	Ca10 0 .5972 .25 .06 11.8
	Wat10 0 .5972 .25 .44 11.8
	Na11 .3056 .1983 .25 .05 9.5
	Ca11 .3056 .1983 .25 .05 9.5
	Wat11 .3056 .1983 .25 .37 9.5
	Na12 .1901 .0815 .1907 .02 8.7
	Ca12 .1901 .0815 .1907 .02 8.7
	Wat12 .1901 .0815 .1907 .16 8.7
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	Cordierite
	Geiger C A, Armbruster T, Khomenko V, Quartieri S
	American Mineralogist 85 (2000) 1255-1264
	Cordierite I: The coordination of Fe2+
	Sample: DA-1
	_database_code_amcsd 0002493
	17.072 9.727 9.351 90 90 90 Cccm
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Si21 .30746 .07779 0 .0050 .0039 .0056 -.00013 0 0
	Si16 0 0 .25 .0051 .0059 .0051 0 0 0
	Si23 .36489 .23727 .5 .0047 .0044 .0056 -.00059 0 0
	Al26 .05090 .19210 0 .0045 .0052 .0059 -.00040 0 0
	Al11 .25 .25 .25021 .0072 .0052 .0061 -.00169 0 0
	MgM .16264 0 .25 .930 .0056 .0059 .0081 0 0 .0000
	FeM .16264 0 .25 .070 .0056 .0059 .0081 0 0 .0000
	NaCH0 .5 0 .5 .09 .04118 .02585 .06546 .00249 0 0
	OCH1 .5 0 .25 .32 .09435 .09373 .04963 0 0 0
	OCH2 .440 0 .25 .13 .04386 .13710 .03721 0 0 -.01927
	O16 .06225 .08387 .15115 .0068 .0091 .0082 -.0010 -.0001 .0031
	O11 .25272 .10278 .14116 .0104 .0067 .0075 -.0005 .0036 -.0007
	O13 .32679 .31010 .64158 .0090 .0088 .0082 -.0013 .0020 -.0029
	O21 .37770 .1845 0 .0097 .0100 .0171 -.0063 0 0
	O26 .45699 .2475 .5 .0050 .0158 .0166 -.0025 0 0
	O23 .33548 -.0793 0 .0133 .0048 .0173 .0029 0 0
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	Cordierite
	Geiger C A, Armbruster T, Khomenko V, Quartieri S
	American Mineralogist 85 (2000) 1255-1264
	Cordierite I: The coordination of Fe2+
	Sample: 42/IA
	_database_code_amcsd 0002494
	17.069 9.725 9.347 90 90 90 Cccm
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Si21 .30750 .07774 0 .00472 .00409 .0052 -.00028 0 0
	Si16 0 0 .25 .0047 .0063 .0047 0 0 0
	Si23 .36487 .23734 .5 .00417 .0050 .0054 -.00073 0 0
	Al26 .05089 .19218 0 .0042 .0055 .0053 -.00066 0 0
	Al11 .25 .25 .25025 .0069 .0053 .0057 -.00143 0 0
	MgM .16262 0 .25 .918 .0055 .0061 .0079 0 0 .00004
	FeM .16262 0 .25 .082 .0055 .0061 .0079 0 0 .00004
	NaCH0 .5 0 .5 .07 .02378 .02869 .04720 .00059 0 0
	OCH1 .5 0 .25 .31
	OCH2 .446 0 .25 .14
	O16 .06224 .08396 .15096 .0067 .0098 .0074 -.0013 .0001 .0036
	O11 .25279 .10285 .14133 .0103 .0072 .0072 -.0007 .0033 -.0009
	O13 .32678 .31029 .64167 .0084 .0093 .0076 -.0014 .0017 -.0023
	O21 .37769 .1844 0 .0097 .0102 .0153 -.0056 0 0
	O26 .45701 .2475 .5 .0050 .0159 .0158 -.0020 0 0
	O23 .33551 -.07960 0 .0132 .0049 .0161 .0029 0 0
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	Cordierite
	Geiger C A, Armbruster T, Khomenko V, Quartieri S
	American Mineralogist 85 (2000) 1255-1264
	Cordierite I: The coordination of Fe2+
	Sample: C005
	_database_code_amcsd 0002495
	17.101 9.736 9.331 90 90 90 Cccm
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Si21 .30792 .07805 0 .00535 .00402 .00546 -.00028 0 0
	Si16 0 0 .25 .0052 .0064 .0052 0 0 2
	Si23 .36486 .23691 .5 .0047 .0049 .0052 -.00059 0 0
	Al26 .05055 .19245 0 .0047 .00545 .0054 -.00035 0 0
	Al11 .25 .25 .25005 .00743 .00561 .0055 -.00119 0 0
	MgM .16248 0 .25 .0058 .0060 .0084 0 0 -.0000
	CH0 .5 0 .5
	CH1 .5 0 .25
	CH2 .45272 0 .25
	O16 .06208 .08413 .15114 .0073 .0096 .0079 -.0011 -.0002 .0
	O11 .25328 .10318 .14144 .0108 .0072 .0072 -.0007 .0036 -.0
	O13 .32664 .30963 .64171 .0088 .0088 .0074 -.0016 .0020 -.0
	O21 .37794 .18492 0 .0097 .0099 .0164 -.0055 0 0
	O26 .45664 .24873 .5 .0045 .0150 .0161 -.0022 0 0
	O23 .33579 -.07929 0 .0132 .0052 .0171 .0031 0 0
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	Bikitaite
	Ferro O, Quartieri S, Vezzalini G, Fois E, Gamba A, Tabacchi G
	American Mineralogist 87 (2002) 1415-1425
	High-pressure behaviour of bikitaite: An integrated theoretical
	and experimental approach
	Sample at P = 1 atm
	_database_code_amcsd 0002910
	8.6061 4.9573 7.5970 89.94 114.407 89.98 P1
	atom x y z
	Li1 .2965 .3307 .1531
	Li2 .6648 .8312 .8256
	Si11 .0888 .8186 .0680
	Si12 .0854 .8013 .4793
	Si22 .8563 .2972 .4525
	Si23 .6000 .3492 .0473
	Al13 .3500 .8515 .9033
	Al21 .8730 .3181 .8854
	O11 .2427 .6978 .0316
	O12 .0577 .1463 .0327
	O13 .1365 .7520 .3005
	O14 .0231 .5134 .5318
	O15 .2414 .9245 .6560
	O16 .4411 .1616 .0355
	O21 .7020 .2022 .9372
	O22 .9016 .6699 .9377
	O23 .8065 .2515 .6370
	O24 .9173 .0122 .4016
	O25 .7047 .4224 .2675
	O26 .5217 .6345 .9289
	O17 .3951 .2779 .4472
	O27 .5634 .7773 .5357
	H11 .3186 .2389 .5052
	H12 .4695 .1230 .4807
	H21 .6439 .7638 .4792
	H22 .4995 .6111 .5012
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	Bikitaite
	Ferro O, Quartieri S, Vezzalini G, Fois E, Gamba A, Tabacchi G
	American Mineralogist 87 (2002) 1415-1425
	High-pressure behaviour of bikitaite: An integrated theoretical
	and experimental approach
	Sample at P = 5.7 GPa
	_database_code_amcsd 0002911
	8.4932 4.7773 7.2443 90.804 114.794 89.442 P1
	atom x y z
	Li1 .2982 .3199 .1751
	Li2 .6555 .8082 .8008
	Si11 .0875 .7992 .0723
	Si12 .0857 .8384 .4885
	Si22 .8606 .3324 .4513
	Si23 .5999 .3498 .0468
	Al13 .3500 .8508 .9069
	Al21 .8677 .2957 .8793
	O11 .2411 .6696 .0283
	O12 .0674 .1378 .0398
	O13 .1467 .7072 .3055
	O14 .0085 .5745 .5688
	O15 .2398 .9920 .6632
	O16 .4527 .1430 .0773
	O21 .6992 .1697 .9384
	O22 .8984 .6534 .9328
	O23 .8008 .2102 .6157
	O24 .9351 .0710 .3586
	O25 .7098 .4896 .2576
	O26 .5004 .6064 .8938
	O17 .4031 .2613 .4661
	O27 .5533 .7582 .5047
	H11 .3385 .2245 .5456
	H12 .4725 .0907 .4828
	H21 .6213 .7397 .4272
	H22 .4943 .5769 .4872
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	Bikitaite
	Ferro O, Quartieri S, Vezzalini G, Fois E, Gamba A, Tabacchi G
	American Mineralogist 87 (2002) 1415-1425
	High-pressure behaviour of bikitaite: An integrated theoretical
	and experimental approach
	Sample at P = 9.0 GPa
	_database_code_amcsd 0002912
	8.231 4.7320 7.1187 92.80 114.99 88.37 P1
	atom x y z
	Li1 .3002 .2841 .1852
	Li2 .6485 .7621 .7962
	Si11 .0922 .7631 .0853
	Si12 .0941 .8915 .4982
	Si22 .8544 .3888 .4499
	Si23 .5971 .3143 .0367
	Al13 .3505 .8238 .9189
	Al21 .8657 .2567 .8645
	O11 .2467 .6216 .0366
	O12 .0772 .0977 .0223
	O13 .1479 .7189 .3288
	O14 -.0124 .6605 .5707
	O15 .2489 .0130 .6971
	O16 .4782 .0977 .1010
	O21 .6994 .1341 .9276
	O22 .8981 .6234 .9468
	O23 .7991 .2295 .6001
	O24 .9605 .1499 .3580
	O25 .7013 .5081 .2480
	O26 .4819 .5529 .8559
	O17 .4054 .2867 .4742
	O27 .5563 .7820 .4981
	H11 .3607 .3042 .5785
	H12 .4742 .1096 .5030
	H21 .6182 .8049 .4166
	H22 .4951 .6033 .4604
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	Bikitaite
	Ferro O, Quartieri S, Vezzalini G, Ceriani C, Fois E, Gamba A, Cruciani G
	American Mineralogist 89 (2004) 94-101
	Dehydration dynamics of bikitaite: I. In situ synchrotron powder X-ray diffraction study
	Sample: T = 30 C
	_database_code_amcsd 0003188
	8.6121 4.9579 7.6040 89.892 114.423 89.955 P1
	atom x y z Biso
	Li1 .270 .395 .128 4.5
	Li2 .659 .876 .831 4.5
	Al13 .373 .896 .942 3.0
	Al21 .880 .392 .910 3.0
	Si11 .086 .871 .100 3.7
	Si12 .1038 .8006 .5049 3.7
	Si22 .885 .324 .491 3.7
	Si23 .607 .385 .068 3.7
	O11 .256 .787 .068 3.1
	O12 .049 .184 .035 3.1
	O13 .152 .848 .328 3.1
	O14 .055 .496 .526 3.1
	O15 .261 .933 .690 3.1
	O16 .423 .228 .020 3.1
	O21 .714 .240 .958 2.3
	O22 .899 .732 .963 2.3
	O23 .828 .345 .667 3.1
	O24 .953 .020 .475 3.1
	O25 .738 .432 .292 3.1
	O26 .543 .678 .973 2.3
	Wat17 .412 .366 .413 3.0
	Wat27 .583 .849 .541 3.0
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	Bikitaite
	Ferro O, Quartieri S, Vezzalini G, Ceriani C, Fois E, Gamba A, Cruciani G
	American Mineralogist 89 (2004) 94-101
	Dehydration dynamics of bikitaite: I. In situ synchrotron powder X-ray diffraction study
	Sample: T = 280 C
	_database_code_amcsd 0003189
	8.6140 4.9721 7.5510 89.753 114.273 90.154 P1
	atom x y z occ Biso
	Li1 .286 .374 .128 8.3
	Li2 .674 .871 .843 8.3
	Al13 .376 .876 .924 1.2
	Al21 .883 .376 .896 1.2
	Si11 .092 .863 .080 2.2
	Si12 .1038 .8006 .5049 2.2
	Si22 .886 .321 .487 2.2
	Si23 .6120 .363 .059 2.2
	O11 .251 .756 .038 2.1
	O12 .063 .180 .021 2.1
	O13 .134 .834 .309 2.4
	O14 .051 .513 .561 2.4
	O15 .252 .952 .684 2.4
	O16 .437 .195 .018 2.1
	O21 .728 .237 .960 2.9
	O22 .912 .720 .943 2.9
	O23 .806 .352 .646 2.4
	O24 .961 .019 .497 2.4
	O25 .715 .368 .292 2.4
	O26 .554 .667 .980 2.9
	Wat17 .398 .277 .411 .66 14.
	Wat27 .542 .810 .558 .77 14.
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	Bikitaite
	Ferro O, Quartieri S, Vezzalini G, Ceriani C, Fois E, Gamba A, Cruciani G
	American Mineralogist 89 (2004) 94-101
	Dehydration dynamics of bikitaite: I. In situ synchrotron powder X-ray diffraction study
	Sample: T = 400
	_database_code_amcsd 0003190
	8.6269 4.9871 7.5718 89.765 114.097 90.160 P1
	atom x y z occ Biso
	Li1 .314 .356 .160 7.1
	Li2 .718 .844 .914 7.1
	Al13 .384 .859 .933 3.6
	Al21 .889 .336 .899 3.6
	Si11 .102 .851 .078 5.6
	Si12 .1038 .8006 .5049 5.6
	Si22 .883 .292 .484 5.6
	Si23 .617 .334 .074 5.6
	O11 .246 .706 .020 4.6
	O12 .085 .179 .029 4.6
	O13 .124 .819 .301 5.0
	O14 .024 .522 .538 5.0
	O15 .266 .882 .695 5.0
	O16 .436 .188 .014 4.6
	O21 .723 .242 .951 4.2
	O22 .936 .673 .952 4.2
	O23 .813 .343 .650 5.0
	O24 .946 .985 .489 5.0
	O25 .736 .419 .296 5.0
	O26 .550 .629 .975 4.2
	Wat17 .526 .333 .416 .36 15.
	Wat27 .633 .793 .625 .41 15.
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	Bikitaite
	Ferro O, Quartieri S, Vezzalini G, Ceriani C, Fois E, Gamba A, Cruciani G
	American Mineralogist 89 (2004) 94-101
	Dehydration dynamics of bikitaite: I. In situ synchrotron powder X-ray diffraction study
	Sample: T = 468
	_database_code_amcsd 0003191
	8.6274 4.9898 7.5729 89.737 114.072 90.169 P1
	atom x y z Biso
	Li1 .320 .352 .167 7.2
	Li2 .718 .859 .911 7.2
	Al13 .377 .874 .931 4.1
	Al21 .891 .357 .895 4.1
	Si11 .105 .866 .090 4.5
	Si12 .1038 .8006 .5049 4.5
	Si22 .886 .313 .494 4.5
	Si23 .618 .367 .068 4.5
	O11 .264 .727 .055 4.3
	O12 .083 .191 .039 4.3
	O13 .135 .808 .310 5.0
	O14 .044 .520 .559 5.0
	O15 .267 .914 .687 5.0
	O16 .445 .190 .018 4.3
	O21 .738 .246 .972 4.6
	O22 .938 .684 .972 4.6
	O23 .795 .326 .644 5.0
	O24 .954 .012 .479 5.0
	O25 .721 .380 .299 5.0
	O26 .559 .673 .997 4.6
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	Pyrope
	Oberti R, Quartieri S, Dalconi M C, Boscherini F, Iezzi G, Boiocchi M,
	Eeckhout S G
	American Mineralogist 91 (2006) 1230-1239
	Site preference and local geometry of Sc in garnets: Part I.
	Multifarious mechanisms in the pyrope-grossular join
	Locality: synthetic
	Sample: prp
	_database_code_amcsd 0004180
	11.4940 11.4940 11.4940 90 90 90 Ia-3d
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	MgX .125 0 .25 .90 .89 .00101 .00202 .00202 0 0 .00048
	ScX .125 0 .25 .10 .89 .00101 .00202 .00202 0 0 .00048
	AlY 0 0 0 .47 .00089 .00089 .00089 .00001 .00001 .00001
	SiT .375 0 .25 .95 .40 .00073 .00077 .00077 0 0 0
	MgT .375 0 .25 .05 .40 .00073 .00077 .00077 0 0 0
	O .03290 .05061 .65349 .59 .00113 .00135 .00089 .00010 -.00015 -.00001
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	Grossular
	Oberti R, Quartieri S, Dalconi M C, Boscherini F, Iezzi G, Boiocchi M,
	Eeckhout S G
	American Mineralogist 91 (2006) 1230-1239
	Site preference and local geometry of Sc in garnets: Part I.
	Multifarious mechanisms in the pyrope-grossular join
	Locality: synthetic
	Sample: prp
	_database_code_amcsd 0004181
	11.8830 11.8830 11.8830 90 90 90 Ia-3d
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	CaX .125 0 .25 .95 .51 .00064 .00104 .00104 0 0 .00023
	ScX .125 0 .25 .05 .51 .00064 .00104 .00104 0 0 .00023
	AlY 0 0 0 .93 .44 .00079 .00079 .00079 .00003 .00003 .00003
	ScY 0 0 0 .07 .44 .00079 .00079 .00079 .00003 .00003 .00003
	SiT .375 0 .25 .95 .61 .00096 .00115 .00115 0 0 0
	ScT .375 0 .25 .05 .61 .00096 .00115 .00115 0 0 0
	O .03803 .04587 .65194 .52 .00095 .00101 .00081 .00017 .00002 .00003
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	Andradite
	Quartieri S, Oberti R, Boiocchi M, Dalconi M C, Boscherini F , Safonova O,
	Woodland A B
	American Mineralogist 91 (2006) 1240-1248
	Site preference and local geometry of Sc in garnets: Part II.
	The crystal-chemistry of octahedral Sc in the andradite-Ca3Sc2Si3O12 join
	Sample: adr100
	_database_code_amcsd 0004182
	12.0578 12.0578 12.0578 90 90 90 Ia-3d
	atom x y z Biso
	CaX .125 0 .25 .50
	FeY 0 0 0 .35
	SiZ .375 0 .25 .27
	O .03940 .04870 .65540 .50
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	Andradite
	Quartieri S, Oberti R, Boiocchi M, Dalconi M C, Boscherini F , Safonova O,
	Woodland A B
	American Mineralogist 91 (2006) 1240-1248
	Site preference and local geometry of Sc in garnets: Part II.
	The crystal-chemistry of octahedral Sc in the andradite-Ca3Sc2Si3O12 join
	Locality: synthetic
	Sample: adr90CaSc10
	_database_code_amcsd 0004183
	12.0748 12.0748 12.0748 90 90 90 Ia-3d
	atom x y z occ Biso
	CaX .125 0 .25 .50
	FeY 0 0 0 .90 .36
	ScY 0 0 0 .10 .36
	SiZ .375 0 .25 .42
	O .03924 .04892 .65571 .40
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	Andradite
	Quartieri S, Oberti R, Boiocchi M, Dalconi M C, Boscherini F , Safonova O,
	Woodland A B
	American Mineralogist 91 (2006) 1240-1248
	Site preference and local geometry of Sc in garnets: Part II.
	The crystal-chemistry of octahedral Sc in the andradite-Ca3Sc2Si3O12 join
	Locality: synthetic
	Sample: adr80CaSc20
	_database_code_amcsd 0004184
	12.0938 12.0938 12.0938 90 90 90 Ia-3d
	atom x y z occ Biso
	CaX .125 0 .25 .53
	FeY 0 0 0 .80 .39
	ScY 0 0 0 .20 .39
	SiZ .375 0 .25 .39
	O .03945 .04890 .65598 .49
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	Andradite
	Quartieri S, Oberti R, Boiocchi M, Dalconi M C, Boscherini F , Safonova O,
	Woodland A B
	American Mineralogist 91 (2006) 1240-1248
	Site preference and local geometry of Sc in garnets: Part II.
	The crystal-chemistry of octahedral Sc in the andradite-Ca3Sc2Si3O12 join
	Locality: synthetic
	Sample: adr70CaSc30
	_database_code_amcsd 0004185
	12.1128 12.1128 12.1128 90 90 90 Ia-3d
	atom x y z occ Biso
	CaX .125 0 .25 .52
	FeY 0 0 0 .72 .37
	ScY 0 0 0 .28 .37
	SiZ .375 0 .25 .38
	O .03950 .04910 .65636 .48
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	Andradite
	Quartieri S, Oberti R, Boiocchi M, Dalconi M C, Boscherini F , Safonova O,
	Woodland A B
	American Mineralogist 91 (2006) 1240-1248
	Site preference and local geometry of Sc in garnets: Part II.
	The crystal-chemistry of octahedral Sc in the andradite-Ca3Sc2Si3O12 join
	Locality: synthetic
	Sample: adr50CaSc50
	_database_code_amcsd 0004186
	12.1493 12.1493 12.1493 90 90 90 Ia-3d
	atom x y z occ Biso
	CaX .125 0 .25 .54
	FeY 0 0 0 .51 .39
	ScY 0 0 0 .49 .39
	SiZ .375 0 .25 .41
	O .03965 .04935 .65696 .50
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	Ca3Sc1.36Fe.64Si3O12
	Quartieri S, Oberti R, Boiocchi M, Dalconi M C, Boscherini F , Safonova O,
	Woodland A B
	American Mineralogist 91 (2006) 1240-1248
	Site preference and local geometry of Sc in garnets: Part II.
	The crystal-chemistry of octahedral Sc in the andradite-Ca3Sc2Si3O12 join
	Locality: synthetic
	Sample: adr30CaSc70
	_database_code_amcsd 0004187
	12.1917 12.1917 12.1917 90 90 90 Ia-3d
	atom x y z occ Biso
	CaX .125 0 .25 .55
	ScY 0 0 0 .68 .39
	FeY 0 0 0 .32 .39
	SiZ .375 0 .25 .40
	O .03980 .04966 .65758 .51
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	Ca3Sc1.74Fe.26Si3O12
	Quartieri S, Oberti R, Boiocchi M, Dalconi M C, Boscherini F , Safonova O,
	Woodland A B
	American Mineralogist 91 (2006) 1240-1248
	Site preference and local geometry of Sc in garnets: Part II.
	The crystal-chemistry of octahedral Sc in the andradite-Ca3Sc2Si3O12 join
	Locality: synthetic
	Sample: adr10CaSc90
	_database_code_amcsd 0004188
	12.2273 12.2273 12.2273 90 90 90 Ia-3d
	atom x y z occ Biso
	CaX .125 0 .25 .52
	ScY 0 0 0 .87 .36
	FeY 0 0 0 .13 .36
	SiZ .375 0 .25 .38
	O .04004 .05005 .65812 .42
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	Eringaite
	Quartieri S, Oberti R, Boiocchi M, Dalconi M C, Boscherini F , Safonova O,
	Woodland A B
	American Mineralogist 91 (2006) 1240-1248
	Site preference and local geometry of Sc in garnets: Part II.
	The crystal-chemistry of octahedral Sc in the andradite-Ca3Sc2Si3O12 join
	Locality: synthetic
	Sample: CaSc100
	_database_code_amcsd 0004189
	12.2500 12.2500 12.2500 90 90 90 Ia-3d
	atom x y z Biso
	CaX .125 0 .25 .38
	ScY 0 0 0 .38
	SiZ .375 0 .25 .38
	O .04004 .05010 .65887 .38
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	Gismondine
	Ori S, Quartieri S, Vezzalini G, Dmitriev V
	American Mineralogist 93 (2008) 1393-1403
	Pressure-induced over-hydration and water ordering in gismondine:
	a synchrotron powder diffraction study
	Locality: Ballyclare, Ireland
	Note: ambient pressure
	_database_code_amcsd 0004631
	10.0155 10.6051 9.8277 90 92.409 90 P2_1/c
	atom x y z occ Uiso
	Ca .7159 .0772 .3564 .052
	All .0987 .1136 .1671 .015
	Al2 .5917 .8652 .1514 .015
	Sil .4110 .1088 .1791 .015
	Si2 .9101 .870 .1618 .015
	O1 .072 .159 .9981 .005
	O2 .2608 .067 .215 .005
	O3 .435 .151 .0237 .005
	O4 .2430 .401 .302 .005
	O5 .004 .986 .217 .005
	O6 .043 .2412 .261 .005
	O7 .461 .227 .273 .005
	O8 .504 .989 .222 .005
	Watl .254 .104 .503 .022
	Wat2 .591 .122 .536 .022
	Wat3 .911 .116 .495 .022
	Wat4 .777 .239 .240 .38 .022
	Wat5 .734 .307 .410 .62 .022
	Wat6 .777 .083 .040 .15 .022
	Wat7 .760 .198 .147 .62 .022
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	Gismondine
	Ori S, Quartieri S, Vezzalini G, Dmitriev V
	American Mineralogist 93 (2008) 1393-1403
	Pressure-induced over-hydration and water ordering in gismondine:
	a synchrotron powder diffraction study
	Locality: Ballyclare, Ireland
	Note: pressure = 1.6 GPa
	_database_code_amcsd 0004632
	9.8917 10.5948 9.7482 90 92.200 90 P2_1/c
	atom x y z occ Uiso
	Ca .7285 .0824 .3543 .070
	All .095 .113 .168 .026
	Al2 .591 .863 .151 .026
	Sil .412 .112 .183 .026
	Si2 .909 .866 .163 .026
	O1 .071 .160 .998 .016
	O2 .260 .072 .221 .016
	O3 .436 .151 .026 .016
	O4 .243 .404 .298 .016
	O5 .005 .980 .218 .016
	O6 .036 .236 .269 .016
	O7 .471 .226 .278 .016
	O8 .501 .988 .220 .016
	Watl .259 .102 .501 .033
	Wat2 .592 .125 .532 .033
	Wat3 .910 .122 .503 .033
	Wat4 .77 .274 .20 .23 .033
	Wat5 .745 .318 .360 .77 .033
	Wat6 .760 .152 .06 .50 .033
	Wat7 .767 .175 .14 .50 .033
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	Gismondine
	Ori S, Quartieri S, Vezzalini G, Dmitriev V
	American Mineralogist 93 (2008) 1393-1403
	Pressure-induced over-hydration and water ordering in gismondine:
	a synchrotron powder diffraction study
	Locality: Ballyclare, Ireland
	Note: pressure = 1.9 GPa
	_database_code_amcsd 0004633
	9.7975 10.626 9.6977 90 91.225 90 P2_1/c
	atom x y z Uiso
	Ca .744 .0777 .346 .091
	All .096 .114 .170 .032
	Al2 .583 .860 .158 .032
	Sil .417 .108 .184 .032
	Si2 .909 .862 .163 .032
	O1 .071 .164 .000 .026
	O2 .261 .071 .220 .026
	O3 .434 .139 .022 .026
	O4 .248 .397 .303 .026
	O5 .006 .978 .212 .026
	O6 .029 .233 .271 .026
	O7 .485 .225 .267 .026
	O8 .500 .985 .236 .026
	Watl .260 .111 .497 .038
	Wat2 .597 .128 .519 .038
	Wat3 .906 .119 .514 .038
	Wat5 .764 .303 .326 .038
	Wat7 .758 .149 .099 .038
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	Gismondine
	Ori S, Quartieri S, Vezzalini G, Dmitriev V
	American Mineralogist 93 (2008) 1393-1403
	Pressure-induced over-hydration and water ordering in gismondine:
	a synchrotron powder diffraction study
	Locality: Ballyclare, Ireland
	Note: pressure = 0 after decompression
	_database_code_amcsd 0004634
	10.0264 10.6094 9.8377 90 92.369 90 P2_1/c
	atom x y z occ Uiso
	Ca .7164 .0793 .356 .071
	All .094 .112 .166 .025
	Al2 .593 .866 .148 .025
	Sil .412 .108 .181 .025
	Si2 .909 .869 .160 .025
	O1 .077 .168 .999 .013
	O2 .261 .062 .212 .013
	O3 .435 .157 .027 .013
	O4 .243 .406 .303 .013
	O5 .006 .982 .215 .013
	O6 .048 .244 .254 .013
	O7 .459 .231 .269 .013
	O8 .505 .988 .222 .013
	Watl .248 .110 .502 .035
	Wat2 .585 .117 .552 .035
	Wat3 .911 .120 .492 .035
	Wat4 .802 .268 .246 .44 .035
	Wat5 .749 .294 .392 .56 .035
	Wat6 .754 .11 .01 .16 .035
	Wat7 .750 .194 .168 .79 .035
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	Boggsite
	Arletti R, Quartieri S, Vezzalini G
	American Mineralogist 95 (2010) 1247-1256
	Elastic behavior of zeolite boggsite in silicon oil and aqueous medium:
	A case of high-pressure-induced over hydration,
	Sample: P = 0.0 GPa
	Note: assignment of site chemistry does not match chemical analysis
	_database_code_amcsd 0017092
	20.3266 23.8760 12.8252 90 90 90 Imma
	atom x y z occ Uiso
	Si1 .1889 .1870 .670 .0163
	Si2 .1873 .0257 .329 .0163
	Si3 .0751 .1839 .833 .0163
	Si4 .0772 .0175 .165 .0163
	Si5 .2226 .0819 .541 .0163
	Si6 .1231 .0848 .967 .0163
	O1 .195 .25 .614 .023
	O2 .120 .173 .733 .023
	O3 .199 .146 .566 .023
	O4 .183 .072 .423 .023
	O5 .115 .035 .274 .023
	O6 .092 .25 .872 .023
	O7 .00 .175 .794 .023
	O8 .00 .027 .196 .023
	O9 .186 .0391 .619 .023
	O10 .106 .1515 .942 .023
	O11 .086 .074 .085 .023
	O12 .199 .0732 .967 .023
	O13 .099 .037 .881 .023
	O14 .25 .173 .75 .023
	O15 .25 -.027 .75 .023
	CaX1 .00 .178 .132 .48 .154
	OX2 .181 .1653 .235 1.29 .154
	OX3 .204 .25 .090 .56 .154
	OX4 .099 .183 .463 .65 .154
	OX5 .00 .25 .555 .81 .154
	OX6 .00 -.043 .417 1.11 .154
	CaX7 .063 .153 .376 .40 .154
	OX8 .035 .135 .585 .72 .154
	CaX9 .062 .25 .286 .46 .154
	OX10 .125 .25 .070 1.07 .154
	OX11 .202 .25 .369 .73 .154
	OX12 .219 .25 .243 .45 .154
	OX13 .00 .060 .408 .98 .154
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	Boggsite
	Arletti R, Quartieri S, Vezzalini G
	American Mineralogist 95 (2010) 1247-1256
	Elastic behavior of zeolite boggsite in silicon oil and aqueous medium:
	A case of high-pressure-induced over hydration,
	Sample: P = 2.5 GPa
	Note: assignment of site chemistry does not match chemical analysis
	_database_code_amcsd 0017093
	20.082 23.613 12.709 90 90 90 Imma
	atom x y z occ Uiso
	Si1 .1907 .1862 .6680 .015
	Si2 .1855 .0256 .322 .015
	Si3 .0781 .1860 .833 .015
	Si4 .078 .0198 .164 .015
	Si5 .2217 .0784 .543 .015
	Si6 .1259 .0843 .963 .015
	O1 .180 .25 .614 .027
	O2 .123 .168 .729 .027
	O3 .201 .144 .569 .027
	O4 .201 .068 .418 .027
	O5 .110 .037 .274 .027
	O6 .100 .25 .857 .027
	O7 .00 .173 .833 .027
	O8 .00 .029 .197 .027
	O9 .187 .032 .614 .027
	O10 .093 .146 .936 .027
	O11 .080 .065 .063 .027
	O12 .203 .085 .976 .027
	O13 .103 .044 .866 .027
	O14 .25 .183 .75 .027
	O15 .25 -.023 .75 .027
	CaX1 .00 .186 .172 .51 .164
	OX2 .164 .157 .206 1.30 .164
	OX3 .229 .25 .058 .87 .164
	OX4 .092 .136 .421 .70 .164
	OX5 .00 .25 .577 1.65 .164
	OX6 .00 -.040 .449 1.19 .164
	CaX7 .089 .171 .417 .40 .164
	OX8 .044 .110 .621 .77 .164
	CaX9 .046 .25 .291 .42 .164
	OX10 .117 .25 .061 .99 .164
	OX11 .193 .25 .340 .97 .164
	OX12 .190 .25 .213 .81 .164
	OX13 .0 .088 .352 .91 .164
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	Boggsite
	Arletti R, Quartieri S, Vezzalini G
	American Mineralogist 95 (2010) 1247-1256
	Elastic behavior of zeolite boggsite in silicon oil and aqueous medium:
	A case of high-pressure-induced over hydration,
	Sample: P = 3.6 GPa
	Note: assignment of site chemistry does not match chemical analysis
	_database_code_amcsd 0017094
	19.949 23.445 12.607 90 90 90 Imma
	atom x y z occ Uiso
	Si1 .1891 .1880 .679 .015
	Si2 .1883 .0230 .318 .015
	Si3 .0788 .1821 .838 .015
	Si4 .0802 .0183 .165 .015
	Si5 .2179 .0783 .542 .015
	Si6 .1260 .0818 .965 .015
	O1 .187 .25 .613 .051
	O2 .118 .173 .726 .051
	O3 .209 .145 .573 .051
	O4 .204 .067 .417 .051
	O5 .112 .040 .277 .051
	O6 .092 .25 .858 .051
	O7 0 .172 .812 .051
	O8 0 .027 .172 .051
	O9 .175 .037 .617 .051
	O10 .093 .142 .942 .051
	O11 .088 .071 .078 .051
	O12 .204 .073 .974 .051
	O13 .106 .046 .863 .051
	O14 .25 .1927 .75 .051
	O15 .25 -.0462 .75 .051
	CaX1 0 .198 .119 .51 .165
	OX2 .173 .157 .195 1.16 .165
	OX3 .306 .25 .115 .88 .165
	OX4 .098 .155 .315 .77 .165
	OX5 0 .25 .559 1.61 .165
	OX6 0 -.042 .441 1.19 .165
	CaX7 .079 .163 .443 .37 .165
	OX8 .0504 .111 .605 .85 .165
	CaX9 .012 .25 .319 .45 .165
	OX10 .175 .25 .006 1.19 .165
	OX11 .123 .25 .232 1.01 .165
	OX12 .222 .25 .157 .86 .165
	OX13 0 .057 .359 .90 .165
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	Boggsite
	Arletti R, Quartieri S, Vezzalini G
	American Mineralogist 95 (2010) 1247-1256
	Elastic behavior of zeolite boggsite in silicon oil and aqueous medium:
	A case of high-pressure-induced over hydration,
	Sample: P = 0.0 GPa on release of pressure
	Note: assignment of site chemistry does not match chemical analysis
	_database_code_amcsd 0017095
	20.326 23.883 12.836 90 90 90 Imma
	atom x y z occ Uiso
	Si1 .1889 .1853 .669 .015
	Si2 .1852 .0209 .324 .015
	Si3 .0774 .1854 .834 .015
	Si4 .0780 .0236 .167 .015
	Si5 .2237 .0796 .532 .015
	Si6 .1211 .0826 .960 .015
	O1 .185 .25 .628 .012
	O2 .117 .173 .727 .012
	O3 .202 .141 .576 .012
	O4 .189 .071 .415 .012
	O5 .114 .044 .275 .012
	O6 .084 .25 .867 .012
	O7 .00 .173 .801 .012
	O8 .00 .028 .196 .012
	O9 .191 .0404 .618 .012
	O10 .098 .1450 .931 .012
	O11 .092 .0678 .074 .012
	O12 .1988 .0812 .968 .012
	O13 .103 .0375 .874 .012
	O14 .25 .185 .75 .012
	O15 .25 -.0266 .75 .012
	CaX1 .00 .180 .144 .53 .174
	OX2 .186 .164 .221 1.15 .174
	OX3 .198 .25 .077 .59 .174
	OX4 .130 .177 .495 .53 .174
	OX5 .00 .25 .520 .96 .174
	OX6 .00 -.044 .409 1.11 .174
	CaX7 .079 .142 .379 .44 .174
	OX8 .050 .141 .577 .71 .174
	CaX9 .064 .25 .294 .41 .174
	OX10 .107 .25 .075 .91 .174
	OX11 .179 .25 .351 .96 .174
	OX12 .218 .25 .157 .44 .174
	OX13 .00 .079 .407 .90 .174
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	Dachiardite-Ca
	Quartieri S, Vezzalini G, Alberti A
	European Journal of Mineralogy 2 (1990) 187-193
	Dachiardite from Hokiya-dake: evidence of a new topology
	Locality: Hokiya-dake, Japan
	_database_code_amcsd 0006381
	18.625 7.508 10.247 90 108.056 90 C2/m
	atom x y z occ Biso
	CaC1 .4902 .2391 .1335 .32 7.5
	KC2 .5422 0 .5361 .15 6.3
	NaC2 .5422 0 .5361 .09 6.3
	KC3 1/2 .252 0 .08 6.6
	NaC3 1/2 .252 0 .06 6.6
	SiT1 .2872 .2063 .1578 .87 1.5
	AlT1 .2872 .2063 .1578 .05 1.5
	SiT1M .288 .266 .168 .07 2.2
	SiT2 .1917 .2959 .3554 .90 1.9
	AlT2 .1917 .2959 .3554 .02 1.9
	SiT2M .188 .230 .356 .08 2.2
	SiT3 .0964 0 .6995 .64 1.0
	AlT3 .0964 0 .6995 .28 1.0
	SiT3M .089 1/2 .691 .05 2.2
	AlT3M .089 1/2 .691 .03 2.2
	SiT4 .0809 0 .3792 .61 1.0
	AlT4 .0809 0 .3792 .31 1.0
	SiT4M .078 1/2 .372 .05 2.2
	AlT4M .078 1/2 .372 .03 2.2
	O1 .3636 .3204 .2181 .92 3.4
	O1M .376 .152 .226 .08 4.3
	O2 .1152 .1791 .3284 .92 2.9
	O2M .113 .314 .316 .08 4.3
	O3 .2264 .2563 .2338 5.8
	O4 .0991 0 .5440 .92 3.4
	O4M .083 1/2 .528 .08 4.3
	O5 .1669 1/2 .3461 .92 3.4
	O5M .171 0 .356 .08 4.3
	O6 .3107 0 .1769 .92 3.3
	O6M .326 1/2 .199 .08 4.3
	O7 1/4 1/4 0 6.3
	O8 1/4 1/4 1/2 6.2
	O9 .0102 0 .7079 .92 1.9
	O9M .004 1/2 .611 .08 4.3
	Wat1 .4908 0 .2565 .92 6.3
	Wat2 .0835 0 .0336 .54 5.0
	Wat3 .0689 .1334 .0217 .23 8.1
	Wat4 .0743 .6055 .0262 .26 5.6
	Wat5 .0919 1/2 .0324 .48 7.1
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	Brewsterite-Ba
	Cabella R, Lucchetti G, Palenzona A, Quartieri S, Vezzalini G
	European Journal of Mineralogy 5 (1993) 353-360
	First occurrence of a Ba-dominant brewsterite: structural features
	_database_code_amcsd 0006480
	6.790 17.581 7.735 90 94.50 90 P2_1/m
	atom x y z occ Biso
	BaBA1 .2458 1/4 .1734 .82 1.3
	NaBA1 .2458 1/4 .1734 .035 1.3
	KBA1 .2458 1/4 .1734 .02 1.3
	MgBA1 .2458 1/4 .1734 .04 1.3
	BaBA2 .264 1/4 .043 .04 4.0
	BaBA3 .211 1/4 .297 .04 4.0
	AlTA .3215 .0803 .8230 .35 1.1
	SiTA .3215 .0803 .8230 .65 1.1
	AlTB .4070 .0566 .2116 .35 1.1
	SiTB .4070 .0566 .2116 .65 1.1
	AlTC .5534 .1581 .5349 .35 .9
	SiTC .5534 .1581 .5349 .65 .9
	SiTD .9067 .0526 .6412 1.1
	O1 .3537 .1034 .028 1.3
	O2 .426 .1222 .360 1.8
	O3 .784 .1212 .547 1.7
	O4 .446 .1403 .714 1.8
	O5 .081 .0911 .765 2.5
	O6 .227 .9969 .240 2.6
	O7 .383 .9920 .795 1.7
	O8 0 0 1/2 2.8
	O9 .564 1/4 .501 2.1
	Wat1 .051 1/4 .469 .96 3.2
	Wat2 .920 .1414 .142 5.0
	Wat3 .607 1/4 .022 .96 4.1
	Wat4 .060 1/4 .854 .96 3.5
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	Gottardiite
	Alberti A, Vezzalini G, Galli E, Quartieri S
	European Journal of Mineralogy 8 (1996) 69-75
	The crystal structure of gottardiite, a new natural zeolite
	Note: occupancies altered to match chemical formula
	_database_code_amcsd 0006612
	13.698 25.213 22.660 90 90 90 Cmca
	atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	SiT1 0 .0804 .1973 .861 1.18 .013 .013 .019 0 0 -.002
	AlT1 0 .0804 .1973 .138 1.18 .013 .013 .019 0 0 -.002
	FeT1 0 .0804 .1973 .001 1.18 .013 .013 .019 0 0 -.002
	SiT2 0 .1784 .2828 .861 1.47 .014 .021 .021 0 0 -.004
	AlT2 0 .1784 .2828 .138 1.47 .014 .021 .021 0 0 -.004
	FeT2 0 .1784 .2828 .001 1.47 .014 .021 .021 0 0 -.004
	SiT3 0 .2884 .2204 .861 1.39 .021 .015 .017 0 0 -.003
	AlT3 0 .2884 .2204 .138 1.39 .021 .015 .017 0 0 -.003
	FeT3 0 .2884 .2204 .001 1.39 .021 .015 .017 0 0 -.003
	SiT4 0 .3841 .3023 .861 1.34 .012 .022 .017 0 0 -.007
	AlT4 0 .3841 .3023 .138 1.34 .012 .022 .017 0 0 -.007
	FeT4 0 .3841 .3023 .001 1.34 .012 .022 .017 0 0 -.007
	SiT5 0 .4818 .2235 .861 1.68 .030 .019 .015 0 0 .004
	AlT5 0 .4818 .2235 .138 1.68 .030 .019 .015 0 0 .004
	FeT5 0 .4818 .2235 .001 1.68 .030 .019 .015 0 0 .004
	SiT6 .2102 .0023 .3160 .861 1.95 .020 .030 .024 .004 -.005 .001
	AlT6 .2102 .0023 .3160 .138 1.95 .020 .030 .024 .004 -.005 .001
	FeT6 .2102 .0023 .3160 .001 1.95 .020 .030 .024 .004 -.005 .001
	SiT7 .1934 .0978 .1253 .861 1.34 .014 .019 .018 -.005 .006 -.003
	AlT7 .1934 .0978 .1253 .138 1.34 .014 .019 .018 -.005 .006 -.003
	FeT7 .1934 .0978 .1253 .001 1.34 .014 .019 .018 -.005 .006 -.003
	SiT8 .2122 .1948 .3174 .861 1.11 .011 .014 .017 .001 -.004 .001
	AlT8 .2122 .1948 .3174 .138 1.11 .011 .014 .017 .001 -.004 .001
	FeT8 .2122 .1948 .3174 .001 1.11 .011 .014 .017 .001 -.004 .001
	SiT9 .2143 .3111 .1846 .861 1.32 .018 .012 .020 -.005 .001 .001
	AlT9 .2143 .3111 .1846 .138 1.32 .018 .012 .020 -.005 .001 .001
	FeT9 .2143 .3111 .1846 .001 1.32 .018 .012 .020 -.005 .001 .001
	SiT10 .1873 .4049 .3752 .861 1.18 .015 .015 .015 .002 .004 -.004
	AlT10 .1873 .4049 .3752 .138 1.18 .015 .015 .015 .002 .004 -.004
	FeT10 .1873 .4049 .3752 .001 1.18 .015 .015 .015 .002 .004 -.004
	SiT11 .1151 .0634 .0009 .861 1.53 .025 .019 .014 -.007 .005 -.004
	AlT11 .1151 .0634 .0009 .138 1.53 .025 .019 .014 -.007 .005 -.004
	FeT11 .1151 .0634 .0009 .001 1.53 .025 .019 .014 -.007 .005 -.004
	O1 0 .0208 .2214 3.92 .088 .015 .046 0 0 -.004
	O2 .0969 .0897 .1594 .84 .025 .084 .113 .002 .049 .009
	O3 0 .1213 .2499 .76 .075 .041 .027 0 0 -.015
	O4 .0955 .1833 .3238 .63 .020 .059 .021 -.001 .001 -.012
	O5 0 .2249 .2361 3.11 .046 .012 .060 0 0 -.014
	O6 .0928 .3040 .1810 2.87 .017 .054 .038 -.008 .007 .010
	O7 0 .3225 .2802 2.53 .055 .017 .024 0 0 -.003
	O8 .0840 .3950 .3443 6.37 .050 .110 .082 -.001 -.044 -.041
	O9 0 .4225 .2462 6.55 .205 .008 .036 0 0 -.016
	O10 .0928 .4920 .1818 3.74 .033 .076 .033 .003 .010 -.006
	O11 .2280 .1576 .1350 2.66 .027 .038 .036 -.002 -.007 -.006
	O12 .2242 .0598 .3504 3.61 .042 .027 .068 -.003 -.009 .005
	O13 .2381 .4586 .3559 5.90 .094 .032 .098 -.012 .073 .014
	O14 .1754 .0893 .0555 3.00 .026 .079 .009 -.010 -.001 -.014
	O15 .2329 .2564 .3357 3.16 .055 .028 .037 -.015 .003 -.004
	O16 .25 .1829 .25 2.03 .037 .031 .009 0 .004 0
	O17 .2381 .3553 .1332 2.79 .049 .036 .021 -.031 -.016 .012
	O18 .25 .3290 .25 1.89 .029 .017 .026 0 .003 0
	O19 .25 .0050 .25 5.66 .033 .146 .036 0 .003 0
	O20 0 .0807 .0048 2.82 .036 .029 .042 0 0 -.003
	O21 .1276 0 0 3.26 .033 .021 .070 0 0 -.005
	O22 .1627 .4084 .4406 5.34 .102 .058 .043 .050 .025 .004
	NaX1 0 .386 .999 .0186 1.7
	KX1 0 .386 .999 .0013 1.7
	MgX1 0 .386 .999 .023 1.7
	CaX1 0 .386 .999 .0356 1.7
	WatX1 0 .386 .999 .6824 1.7
	NaX2 0 .183 .430 .0186 4.6
	KX2 0 .183 .430 .0013 4.6
	MgX2 0 .183 .430 .023 4.6
	CaX2 0 .183 .430 .0356 4.6
	WatX2 0 .183 .430 .6824 4.6
	NaX3 0 .263 .996 .0186 3.9
	KX3 0 .263 .996 .0013 3.9
	MgX3 0 .263 .996 .023 3.9
	CaX3 0 .263 .996 .0356 3.9
	WatX3 0 .263 .996 .6824 3.9
	NaX4 0 .081 .404 .0186 6.5
	KX4 0 .081 .404 .0013 6.5
	MgX4 0 .081 .404 .023 6.5
	CaX4 0 .081 .404 .0356 6.5
	WatX4 0 .081 .404 .6824 6.5
	NaX5 .067 .281 .421 .0186 9.1
	KX5 .067 .281 .421 .0013 9.1
	MgX5 .067 .281 .421 .023 9.1
	CaX5 .067 .281 .421 .0356 9.1
	WatX5 .067 .281 .421 .6824 9.1
	NaX6 .121 .458 .019 .0186 3.9
	KX6 .121 .458 .019 .0013 3.9
	MgX6 .121 .458 .019 .023 3.9
	CaX6 .121 .458 .019 .0356 3.9
	WatX6 .121 .458 .019 .6824 3.9
	NaX7 0 .192 .071 .0186 11.0
	KX7 0 .192 .071 .0013 11.0
	MgX7 0 .192 .071 .023 11.0
	CaX7 0 .192 .071 .0356 11.0
	WatX7 0 .192 .071 .6824 11.0
	NaX8 .151 .349 .994 .0186 6.6
	KX8 .151 .349 .994 .0013 6.6
	MgX8 .151 .349 .994 .023 6.6
	CaX8 .151 .349 .994 .0356 6.6
	WatX8 .151 .349 .994 .6824 6.6
	NaX9 0 .390 .103 .0186 8.9
	KX9 0 .390 .103 .0013 8.9
	MgX9 0 .390 .103 .023 8.9
	CaX9 0 .390 .103 .0356 8.9
	WatX9 0 .390 .103 .6824 8.9
	NaX10 .120 .268 .558 .0186 9.4
	KX10 .120 .268 .558 .0013 9.4
	MgX10 .120 .268 .558 .023 9.4
	CaX10 .120 .268 .558 .0356 9.4
	WatX10 .120 .268 .558 .6824 9.4
	NaX11 .193 .271 .473 .0186 12.3
	KX11 .193 .271 .473 .0013 12.3
	MgX11 .193 .271 .473 .023 12.3
	CaX11 .193 .271 .473 .0356 12.3
	WatX11 .193 .271 .473 .6824 12.3
	NaX12 0 .301 .064 .0186 8.9
	KX12 0 .301 .064 .0013 8.9
	MgX12 0 .301 .064 .023 8.9
	CaX12 0 .301 .064 .0356 8.9
	WatX12 0 .301 .064 .6824 8.9
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	Pickeringite
	Quartieri S, Triscari M, Viani A
	European Journal of Mineralogy 12 (2000) 1131-1138
	Crystal structure of the hydrated sulphate pickeringite (MgAl2(SO4)4.22H2O):
	X-ray powder diffraction study
	_database_code_amcsd 0006848
	6.1844 24.2715 21.2265 90 100.326 90 P2_1/c
	atom x y z occ
	Mg .3617 .5955 .0824 .93
	Mn .3617 .5955 .0824 .07
	Al1 .4301 .6141 .4240
	Al2 .6996 .3417 .1983
	S1 .0887 .2442 .5241
	S2 .9799 .4623 .3886
	S3 .1459 .1957 .2554
	S4 .1596 .4735 .1022
	O1 .1620 .2171 .4685
	O2 .0390 .3032 .5060
	O3 -.1047 .2196 .5413
	O4 .2798 .2426 .5773
	O5 .0335 .4340 .3310
	O6 .9274 .5210 .3722
	O7 .1796 .4587 .4379
	O8 .7881 .4370 .4082
	O9 .1509 .1821 .3232
	O10 .2149 .2543 .2491
	O11 -.0803 .1899 .2197
	O12 .3039 .1616 .2288
	O13 .1632 .4388 .1609
	O14 .2281 .4365 .0533
	O15 -.0656 .4921 .0812
	O16 .3108 .5194 .1156
	Wat1 .6861 .5911 .1187
	Wat2 .3388 .6314 .1670
	Wat3 .4270 .6667 .0405
	Wat4 .0497 .6116 .0508
	Wat5 .3912 .5589 -.0006
	Wat6 .4861 .5548 .3687
	Wat7 .1246 .6174 .3866
	Wat8 .5764 .6622 .3741
	Wat9 .3407 .6758 .4702
	Wat10 .7324 .6062 .4596
	Wat11 .3432 .5602 .4802
	Wat12 .5275 .3426 .1147
	Wat13 .9699 .3185 .1765
	Wat14 .5918 .2680 .2072
	Wat15 .8348 .3422 .2873
	Wat16 .4137 .3626 .2124
	Wat17 .7580 .4184 .1884
	Wat18 .7474 .2636 .3532
	Wat19 .2687 .5329 .2712
	Wat20 .6925 .5153 .2283
	Wat21 .3875 .4069 .3387
	Wat22 .4065 .2859 .4173
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	Katoite
	Ferro O, Galli E, Papp G, Quartieri S, Szakall S, Vezzalini G
	European Journal of Mineralogy 15 (2003) 419-426
	A new occurrence of katoite and re-examination of the hydrogrossular group
	Sample: Unsplit-O model, T = 200 K
	_database_code_amcsd 0006980
	12.270 12.270 12.270 90 90 90 Ia-3d
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ca 1/8 0 1/4 .972 .0094 .0108 .0087 .0087 0 0 .0023
	Al 0 0 0 .0137 .0137 .0137 .0137 -.0036 -.0036 -.0036
	Si 3/8 0 1/4 .364 .0063 .0059 .0065 .0065 0 0 0
	O .03237 .04982 .64450 .0219 .0298 .0173 .0187 -.0072 .0120 -.0073
	H .075 .061 .655 .636
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	Katoite
	Ferro O, Galli E, Papp G, Quartieri S, Szakall S, Vezzalini G
	European Journal of Mineralogy 15 (2003) 419-426
	A new occurrence of katoite and re-examination of the hydrogrossular group
	Sample: Split-O model, T = 200 K
	_database_code_amcsd 0006981
	12.270 12.270 12.270 90 90 90 Ia-3d
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ca 1/8 0 1/4 .972 .0094 .0108 .0087 .0087 0 0 .0023
	Al 0 0 0 .0136 .0136 .0136 .0136 -.0037 -.0037 -.0037
	Si 3/8 0 1/4 .368 .0068 .0063 .0070 .0070 0 0 0
	O1 .0439 .0436 .6528 .37 .0084
	O2 .0250 .0537 .6393 .63 .0152
	H .081 .060 .656 .63 .0380
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	Almandine
	Quartieri S, Chaboy J, Merli M, Oberti R, Ungaretti L
	Physics and Chemistry of Minerals 22 (1995) 159-169
	Local structural environment of calcium in garnets:
	A combined structure-refinement and XANES investigation
	Note: sample MP14
	Locality: metasedimentary rocks of the Ivrea-Verbano Zone, Italy
	_database_code_amcsd 0007901
	11.533 11.533 11.533 90 90 90 Ia-3d
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	CaX .125 0 .25 .080 .56 .0006 .0013 .0013 0 0 .0000
	Fe2+X .125 0 .25 .530 .56 .0006 .0013 .0013 0 0 .0000
	Mn2+X .125 0 .25 .013 .56 .0006 .0013 .0013 0 0 .0000
	MgX .125 0 .25 .373 .56 .0006 .0013 .0013 0 0 .0000
	AlY 0 0 0 .995 .39 .0007 .0007 .0007 .0000 .0000 .0000
	CrY 0 0 0 .005 .39 .0007 .0007 .0007 .0000 .0000 .0000
	TiY 0 0 0 .005 .39 .0007 .0007 .0007 .0000 .0000 .0000
	SiZ .375 0 .25 .29 .0006 .0005 .0005 0 0 0
	O .0339 .0489 .6529 .46 .0010 .0010 .0006 .0001 -.0002 -.0002
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	Almandine
	Quartieri S, Chaboy J, Merli M, Oberti R, Ungaretti L
	Physics and Chemistry of Minerals 22 (1995) 159-169
	Local structural environment of calcium in garnets:
	A combined structure-refinement and XANES investigation
	Note: sample MP18
	Locality: metasedimentary rocks of the Ivrea-Verbano Zone, Italy
	_database_code_amcsd 0007902
	11.565 11.565 11.565 90 90 90 Ia-3d
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	CaX .125 0 .25 .170 .70 .0008 .0016 .0016 0 0 .0000
	Fe2+X .125 0 .25 .477 .70 .0008 .0016 .0016 0 0 .0000
	Mn2+X .125 0 .25 .013 .70 .0008 .0016 .0016 0 0 .0000
	MgX .125 0 .25 .340 .70 .0008 .0016 .0016 0 0 .0000
	AlY 0 0 0 .44 .0008 .0008 .0008 .0000 .0000 .0000
	SiZ .375 0 .25 .38 .0008 .0006 .0006 0 0 0
	O .0343 .0484 .6529 .57 .0013 .0011 .0008 .0002 -.0002 -.0001
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	Almandine
	Quartieri S, Chaboy J, Merli M, Oberti R, Ungaretti L
	Physics and Chemistry of Minerals 22 (1995) 159-169
	Local structural environment of calcium in garnets:
	A combined structure-refinement and XANES investigation
	Note: sample MP12
	Locality: metasedimentary rocks of the Ivrea-Verbano Zone, Italy
	_database_code_amcsd 0007903
	11.571 11.571 11.571 90 90 90 Ia-3d
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	CaX .125 0 .25 .170 .63 .0007 .0014 .0014 0 0 .0000
	Fe2+X .125 0 .25 .520 .63 .0007 .0014 .0014 0 0 .0000
	Mn2+X .125 0 .25 .013 .63 .0007 .0014 .0014 0 0 .0000
	MgX .125 0 .25 .307 .63 .0007 .0014 .0014 0 0 .0000
	AlY 0 0 0 .995 .34 .0006 .0006 .0006 .0000 .0000 .0000
	TiY 0 0 0 .005 .34 .0006 .0006 .0006 .0000 .0000 .0000
	SiZ .375 0 .25 .37 .0008 .0006 .0006 0 0 0
	O .0344 .0486 .6528 .58 .0013 .0011 .0008 .0002 -.0002 .0001
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	Pyrope
	Quartieri S, Chaboy J, Merli M, Oberti R, Ungaretti L
	Physics and Chemistry of Minerals 22 (1995) 159-169
	Local structural environment of calcium in garnets:
	A combined structure-refinement and XANES investigation
	Sample: SBB
	_database_code_amcsd 0007904
	11.663 11.663 11.663 90 90 90 Ia-3d
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	CaX .125 0 .25 .463 .59 .0006 .0013 .0013 0 0 .0000
	Fe2+X .125 0 .25 .153 .59 .0006 .0013 .0013 0 0 .0000
	Mn2+X .125 0 .25 .003 .59 .0006 .0013 .0013 0 0 .0000
	MgX .125 0 .25 .380 .59 .0006 .0013 .0013 0 0 .0000
	AlY 0 0 0 .995 .38 .0007 .0007 .0007 .0000 .0000 .0000
	Fe3+Y 0 0 0 .005 .38 .0007 .0007 .0007 .0000 .0000 .0000
	SiZ .375 0 .25 .38 .0010 .0005 .0005 0 0 0
	O .0355 .0469 .6524 .61 .0017 .0010 .0007 .0002 -.0003 .0001
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	Grossular
	Quartieri S, Chaboy J, Merli M, Oberti R, Ungaretti L
	Physics and Chemistry of Minerals 22 (1995) 159-169
	Local structural environment of calcium in garnets:
	A combined structure-refinement and XANES investigation
	Note: sample VOL
	Locality: Voltri, Liguria, Italy
	_database_code_amcsd 0007905
	11.787 11.787 11.787 90 90 90 Ia-3d
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	CaX .125 0 .25 .713 .60 .0007 .0013 .0013 0 0 .0000
	Fe2+X .125 0 .25 .243 .60 .0007 .0013 .0013 0 0 .0000
	Mn2+X .125 0 .25 .013 .60 .0007 .0013 .0013 0 0 .0000
	MgX .125 0 .25 .030 .60 .0007 .0013 .0013 0 0 .0000
	AlY 0 0 0 .935 .45 .0008 .0008 .0008 .0000 .0000 .0000
	Fe3+Y 0 0 0 .060 .45 .0008 .0008 .0008 .0000 .0000 .0000
	TiY 0 0 0 .005 .45 .0008 .0008 .0008 .0000 .0000 .0000
	SiZ .375 0 .25 .34 .0008 .0005 .0005 0 0 0
	O .0372 .0462 .6521 .52 .0012 .0009 .0007 .0001 -.0001 .0001
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	Grossular
	Quartieri S, Chaboy J, Merli M, Oberti R, Ungaretti L
	Physics and Chemistry of Minerals 22 (1995) 159-169
	Local structural environment of calcium in garnets:
	A combined structure-refinement and XANES investigation
	Note: sample BRIC
	Locality: Bric Canizzi, Liguria, Italy
	_database_code_amcsd 0007906
	11.967 11.967 11.967 90 90 90 Ia-3d
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	CaX .125 0 .25 .963 .48 .0006 .0010 .0010 0 0 .0000
	Fe2+X .125 0 .25 .023 .48 .0006 .0010 .0010 0 0 .0000
	Mn2+X .125 0 .25 .013 .48 .0006 .0010 .0010 0 0 .0000
	AlY 0 0 0 .500 .39 .0007 .0007 .0007 .0000 .0000 .0000
	Fe3+Y 0 0 0 .380 .39 .0007 .0007 .0007 .0000 .0000 .0000
	Fe2+Y 0 0 0 .060 .39 .0007 .0007 .0007 .0000 .0000 .0000
	TiY 0 0 0 .060 .39 .0007 .0007 .0007 .0000 .0000 .0000
	SiZ .375 0 .25 .34 .0005 .0006 .0006 0 0 0
	O .0387 .0469 .6532 .51 .0009 .0009 .0008 -.0003 .0001 .0001
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	Grossular
	Quartieri S, Chaboy J, Merli M, Oberti R, Ungaretti L
	Physics and Chemistry of Minerals 22 (1995) 159-169
	Local structural environment of calcium in garnets:
	A combined structure-refinement and XANES investigation
	Note: sample GRO
	Locality: Val di Fassa, Italy
	_database_code_amcsd 0007907
	11.871 11.871 11.871 90 90 90 Ia-3d
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	CaX .125 0 .25 .967 .47 .0006 .0009 .0009 0 0 .0000
	Fe2+X .125 0 .25 .010 .47 .0006 .0009 .0009 0 0 .0000
	Mn2+X .125 0 .25 .003 .47 .0006 .0009 .0009 0 0 .0000
	MgX .125 0 .25 .020 .47 .0006 .0009 .0009 0 0 .0000
	AlY 0 0 0 .905 .38 .0007 .0007 .0007 .0000 .0000 .0000
	Fe3+Y 0 0 0 .095 .38 .0007 .0007 .0007 .0000 .0000 .0000
	TiY 0 0 0 .005 .38 .0007 .0007 .0007 .0000 .0000 .0000
	SiZ .375 0 .25 .33 .0005 .0006 .0006 0 0 0
	O .0384 .0457 .6518 .44 .0008 .0009 .0007 .0003 -.0001 .0001
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	Brewsterite-Sr
	Alberti A, Sacerdoti M, Quartieri S, Vezzalini G
	Physics and Chemistry of Minerals 26 (1999) 181-186
	Heating-induced phase transformation in zeolite brewsterite:
	new 4- and 5-coordinated (Si,Al) sites
	Sample: BR280R
	_database_code_amcsd 0008168
	6.676 16.547 7.543 90 94.41 90 P2_1/m
	atom x y z occ Uiso
	Sr1 .570 1/4 .066 .338 .127
	Sr2 .067 1/4 .568 .236 .098
	Sr3 .833 .132 .083 .118 .27
	Sr4 .055 1/4 .398 .160 .29
	Sr5 .716 1/4 -.054 .064 .10
	SiT1 .318 .0856 .829 .69 .055
	AlT11 .231 .160 .847 .31 .055
	SiT2 .407 .0650 .195 .80 .074
	AlT21 .227 .375 .207 .20 .074
	SiT3 .567 .1602 .540 .75 .074
	AlT3 .567 .1602 .540 .25 .074
	SiT4 .912 .0427 .652 .75 .066
	AlT4 .912 .0427 .652 .25 .066
	O1 .347 .118 .014 .12
	O2 .473 .139 .341 .15
	O3 .769 .115 .591 .17
	O4 .414 .145 .697 .13
	O5 .078 .085 .773 .15
	O6 .199 .019 .236 .13
	O7 .396 .996 .811 .80 .09
	Wat71 .103 1/4 .785 .91 .17
	Wat72 .231 1/4 .186 .67 .06
	O73 -.032 .154 .219 .20 .16
	O8 0 0 1/2 .09
	O9 .633 1/4 .525 .11
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	Melanite
	Quartieri S, Boscherini F, Chaboy J, Dalconi M C, Oberti R, Zanetti A
	Physics and Chemistry of Minerals 29 (2002) 495-502
	Characterization of trace Nd and Ce site preference and coordination in natural
	melanites: a combined X-ray diffraction and high-energy XAFS study
	Sample: A204
	_database_code_amcsd 0008658
	12.124 12.124 12.124 90 90 90 Ia-3d
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	CaX 1/8 0 1/4 .9707 .75 .0009 .0015 .0015 0 0 .0004
	NaX 1/8 0 1/4 .0083 .75 .0009 .0015 .0015 0 0 .0004
	ZrX 1/8 0 1/4 .0130 .75 .0009 .0015 .0015 0 0 .0004
	SrX 1/8 0 1/4 .0003 .75 .0009 .0015 .0015 0 0 .0004
	YX 1/8 0 1/4 .0023 .75 .0009 .0015 .0015 0 0 .0004
	CeX 1/8 0 1/4 .0010 .75 .0009 .0015 .0015 0 0 .0004
	NdX 1/8 0 1/4 .0010 .75 .0009 .0015 .0015 0 0 .0004
	SmX 1/8 0 1/4 .0003 .75 .0009 .0015 .0015 0 0 .0004
	GdX 1/8 0 1/4 .0003 .75 .0009 .0015 .0015 0 0 .0004
	DyX 1/8 0 1/4 .0003 .75 .0009 .0015 .0015 0 0 .0004
	AlY 0 0 0 .1400 .55 .0009 .0009 .0009 0 0 0
	FeY 0 0 0 .6680 .55 .0009 .0009 .0009 0 0 0
	MnY 0 0 0 .0095 .55 .0009 .0009 .0009 0 0 0
	MgY 0 0 0 .0730 .55 .0009 .0009 .0009 0 0 0
	SiZ 3/8 0 1/4 .7790 .50 .0007 .0009 .0009 0 0 0
	TiZ 3/8 0 1/4 .2963 .50 .0007 .0009 .0009 0 0 0
	O .0377 .0481 .6536 .96 .0020 .0015 .0014 -.0003 .0004 -.0001
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	Melanite
	Quartieri S, Boscherini F, Chaboy J, Dalconi M C, Oberti R, Zanetti A
	Physics and Chemistry of Minerals 29 (2002) 495-502
	Characterization of trace Nd and Ce site preference and coordination in natural
	melanites: a combined X-ray diffraction and high-energy XAFS study
	Sample: V19
	_database_code_amcsd 0008659
	12.127 12.127 12.127 90 90 90 Ia-3d
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	CaX 1/8 0 1/4 .9640 .86 .0012 .0016 .0016 0 0 .0004
	NaX 1/8 0 1/4 .0133 .86 .0012 .0016 .0016 0 0 .0004
	ZrX 1/8 0 1/4 .0093 .86 .0012 .0016 .0016 0 0 .0004
	VX 1/8 0 1/4 .0020 .86 .0012 .0016 .0016 0 0 .0004
	YX 1/8 0 1/4 .0003 .86 .0012 .0016 .0016 0 0 .0004
	CeX 1/8 0 1/4 .0003 .86 .0012 .0016 .0016 0 0 .0004
	NdX 1/8 0 1/4 .0003 .86 .0012 .0016 .0016 0 0 .0004
	AlY 0 0 0 .0980 .64 .0011 .0011 .0011 0 0 0
	FeY 0 0 0 .6955 .64 .0011 .0011 .0011 0 0 0
	MnY 0 0 0 .0120 .64 .0011 .0011 .0011 0 0 0
	MgY 0 0 0 .0645 .64 .0011 .0011 .0011 0 0 0
	SiZ 3/8 0 1/4 .8217 .77 .0012 .0013 .0013 0 0 0
	TiZ 3/8 0 1/4 .2753 .77 .0012 .0013 .0013 0 0 0
	O .0377 .0474 .6536 1.11 .0024 .0015 .0017 -.0003 .0004 -.0001
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	Melanite
	Quartieri S, Boscherini F, Chaboy J, Dalconi M C, Oberti R, Zanetti A
	Physics and Chemistry of Minerals 29 (2002) 495-502
	Characterization of trace Nd and Ce site preference and coordination in natural
	melanites: a combined X-ray diffraction and high-energy XAFS study
	Sample: 89/35
	_database_code_amcsd 0008660
	12.071 12.071 12.071 90 90 90 Ia-3d
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	CaX 1/8 0 1/4 .9910 .56 .0006 .0011 .0011 0 0 .0000
	NaX 1/8 0 1/4 .0060 .56 .0006 .0011 .0011 0 0 .0000
	ZrX 1/8 0 1/4 .0053 .56 .0006 .0011 .0011 0 0 .0000
	VX 1/8 0 1/4 .0080 .56 .0006 .0011 .0011 0 0 .0000
	AlY 0 0 0 .1300 .39 .0007 .0007 .0007 0 0 0
	FeY 0 0 0 .7190 .39 .0007 .0007 .0007 0 0 0
	MnY 0 0 0 .0155 .39 .0007 .0007 .0007 0 0 0
	MgY 0 0 0 .0445 .39 .0007 .0007 .0007 0 0 0
	SiZ 3/8 0 1/4 .8857 .42 .0007 .0007 .0007 0 0 0
	TiZ 3/8 0 1/4 .1647 .42 .0007 .0007 .0007 0 0 0
	O .0389 .0485 .6540 .77 .0016 .0014 .0010 -.0002 .0001 .0000
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	Wakefieldite-(Ce)
	Baudracco-Gritti C, Quartieri S, Vezzalini G, Permingeat F, Pillard F, Rinaldi R
	Bulletin de Mineralogie 110 (1987) 657-663
	Une wakefieldite-(Ce) non plombifere: nouvelles donnees sur
	l'espece minerale correspondant a l'orthovanadate de cerium
	_database_code_amcsd 0012088
	7.354 7.354 6.488 90 90 90 *I4_1/amd
	0 -.25 .125
	atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ce 0 .75 .125 .52 .74 .0112 .0112 .0059 0 0 0
	La 0 .75 .125 .18 .74 .0112 .0112 .0059 0 0 0
	Nd 0 .75 .125 .15 .74 .0112 .0112 .0059 0 0 0
	Y 0 .75 .125 .07 .74 .0112 .0112 .0059 0 0 0
	Pr 0 .75 .125 .05 .74 .0112 .0112 .0059 0 0 0
	Sm 0 .75 .125 .02 .74 .0112 .0112 .0059 0 0 0
	V 0 .75 .625 .92 .84 .0126 .0126 .0068 0 0 0
	As 0 .75 .625 .08 .84 .0126 .0126 .0068 0 0 0
	O 0 .0716 .2067 1.37 .024 .015 .013 0 0 -.001
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	Tschernichite
	Alberti A, Cruciani G, Galli E, Merlino S, Millini R, Quartieri S, Vezzalini G, Zanardi S
	Journal of Physical Chemistry B106 (2002) 10277-10284
	Crystal structure of tetragonal and monoclinic polytypes of tschernichite,
	the natural counterpart of synthetic zeolite beta
	Locality: Mt. Adamson, Northern Victoria Land, Antarctica
	Sample: large crystal, monoclinic
	_database_code_amcsd 0013153
	17.983 17.966 14.625 90 114.31 90 C2/c
	atom x y z occ Uiso
	Na1 .1438 .3576 .0005 .09 .039
	K1 .1438 .3576 .0005 .023 .039
	Mg1 .1438 .3576 .0005 .023 .039
	Ca1 .1438 .3576 .0005 .44 .039
	Ca2 .305 .521 -.004 .073 .03
	Ca3 .474 .696 .004 .079 .03
	Si1 .1708 .8334 .8880 .68 .014
	Al1 .1708 .8334 .8880 .32 .014
	Si2 .2070 .5437 .1145 .79 .017
	Al2 .2070 .5437 .1145 .21 .017
	Si3 .1924 .4185 .2512 .73 .016
	Al3 .1924 .4185 .2512 .27 .016
	Si4 .3940 .0186 .6136 .68 .018
	Al4 .3940 .0186 .6136 .32 .018
	Si5 .5201 .1450 .6140 .73 .018
	Al5 .5201 .1450 .6140 .27 .018
	Si6 .5 .2743 .75 .78 .014
	Al6 .5 .2743 .75 .22 .014
	Si7 .2971 .2926 .3892 .75 .014
	Al7 .2971 .2926 .3892 .25 .014
	Si8 .4193 .1693 .3862 .74 .016
	Al8 .4193 .1693 .3862 .26 .016
	Si9 .5 .1116 .25 .69 .016
	Al9 .5 .1116 .25 .31 .016
	O1 .2077 .9163 .8753 .032
	O2 .5784 .3306 .8014 .034
	O3 .2246 .7652 .8738 .033
	O4 .6681 .3329 .9996 .027
	O5 .2337 .4827 .2040 .032
	O6 .1451 .6024 .1324 .039
	O7 .1650 .5016 .0076 .026
	O8 .1672 .4554 .3359 .039
	O9 .2655 .3563 .3029 .041
	O10 .1153 .3825 .1592 .037
	O11 .4629 .0805 .6252 .047
	O12 .0637 .5621 .3419 .045
	O13 .5106 .2245 .6639 .041
	O14 .4987 .1623 .4944 .018
	O15 .3748 .2513 .3779 .032
	O16 .4506 .1689 .2959 .030
	Wat1 .156 .224 -.114 .58 .12
	Wat2 .118 .254 -.111 .45 .09
	Wat3 .286 .347 .117 .41 .07
	Wat4 .242 .378 -.108 .62 .11
	Wat5 .396 .427 .126 .17 .18
	Wat6 .478 .641 -.165 .26 .09
	Wat7 .013 .140 .025 .56 .14
	Wat8 .011 .021 -.019 .40 .04
	Wat9 .145 .011 .007 .61 .14
	Wat10 .091 .011 .194 .58 .14
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	Tschernichite
	Alberti A, Cruciani G, Galli E, Merlino S, Millini R, Quartieri S, Vezzalini G, Zanardi S
	Journal of Physical Chemistry B106 (2002) 10277-10284
	Crystal structure of tetragonal and monoclinic polytypes of tschernichite,
	the natural counterpart of synthetic zeolite beta
	Locality: Mt. Adamson, Northern Victoria Land, Antarctica
	Sample: small crystal, tetragonal
	Note: Mg position adjusted to match reported bond lengths
	_database_code_amcsd 0013154
	12.634 12.634 26.608 90 90 90 P4_122
	atom x y z occ Uiso
	Na -.291 -.300 .123 .04 .04
	Mg -.291 -.300 .123 .04 .04
	K1 0 -.123 0 .04 .11
	Ca1 0 -.123 0 .32 .11
	K2 0 .449 0 .03 .05
	Ca2 0 .449 0 .25 .05
	K3 -.5 -.318 0 .04 .10
	Ca3 -.5 -.318 0 .32 .10
	Si1 .4579 .2945 .0562 .70 .020
	Al1 .4579 .2945 .0562 .30 .020
	Si2 .4573 .0422 .0541 .90 .018
	Al2 .4573 .0422 .0541 .10 .018
	Si3 .2111 .2935 .0565 .85 .016
	Al3 .2111 .2935 .0565 .15 .016
	Si4 .2113 .0419 .0575 .83 .017
	Al4 .2113 .0419 .0575 .17 .017
	Si5 .8360 .2938 .0566 .99 .019
	Al5 .8360 .2938 .0566 .01 .019
	Si6 .8355 .0411 .0577 .76 .018
	Al6 .8355 .0411 .0577 .24 .018
	Si7 .0271 .3583 .1251 .78 .021
	Al7 .0271 .3583 .1251 .22 .021
	Si8 .0262 -.0262 .125 .71 .016
	Al8 .0262 -.0262 .125 .29 .016
	Si9 .6403 .3597 .125 .93 .019
	Al9 .6403 .3597 .125 .07 .019
	O1 .5 .3395 0 .023
	O2 .4691 .1639 .0608 .035
	O3 .3363 .3310 .0631 .039
	O4 .5267 .3542 .0994 .037
	O5 .5 .080 0 .030
	O6 .3340 .0018 .0626 .037
	O7 .5227 -.0180 .0993 .033
	O8 .2017 .1679 .0661 .047
	O9 .1643 .3224 .0018 .028
	O10 .1468 .3539 .1004 .036
	O11 .1641 .0056 .0024 .039
	O12 .1458 -.0208 .0998 .033
	O13 .8348 .1696 .0639 .050
	O14 .9374 .3480 .0809 .036
	O15 .7298 .3481 .0828 .057
	O16 .7296 -.0163 .0822 .035
	O17 .9412 -.0094 .0789 .050
	Wat1 -.186 -.229 .057 .55 .09
	Wat2 -.167 -.416 .056 .93 .22
	Wat3 0 .546 0 .38 .10
	Wat4 -.359 -.206 .005 .86 .19
	Wat6 -.463 -.323 .090 .67 .18
	Wat7 -.361 -.478 .006 .31 .11
	Wat10 -.155 -.346 -.002 .30 .06
	Wat11 -.334 -.334 -.125 .34 .08
	Wat13 0 -.203 0 .38 .05
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	Gismondine
	Vezzalini G, Quartieri S, Alberti A
	Zeolites 13 (1993) 34-42
	Structural modifications induced by dehydration in the zeolite gismondine
	Locality: Montalto di Castro, Italy
	Sample: dehydration t = 1 hr
	_database_code_amcsd 0015868
	9.989 10.616 9.820 90 92.57 90 *P2_1
	0 0 .25
	atom x y z Uiso
	Ca .7155 .0689 .3579 .022
	CaP .2837 .9337 .6407 .022
	Al1 .0965 .1149 .1679 .0069
	Al1f .0965 .3851 .6679 .0069
	Al2 .5873 .8645 .1468 .0064
	Al2f .5873 .6355 .6468 .0064
	Si1 .4163 .1129 .1836 .0062
	Si1f .4163 .3871 .6836 .0062
	Si2 .9073 .8717 .1616 .0058
	Si2f .9073 .6283 .6616 .0058
	O1 .0810 .1576 .9972 .014
	O1f .0810 .3424 .4972 .014
	O2 .2619 .0807 .2146 .013
	O2f .2619 .4193 .7146 .013
	O3 .4400 .1478 .0253 .011
	O3f .4400 .3522 .5253 .011
	O4 .2487 .4021 .3037 .013
	O4f .2487 .0979 .8037 .013
	O5 .9969 .9883 .2135 .013
	O5f .9969 .5117 .7135 .013
	O6 .0435 .2486 .2560 .009
	O6f .0435 .2514 .7560 .009
	O7 .4704 .2258 .2788 .010
	O7f .4704 .2742 .7788 .010
	O8 .5088 .9912 .2283 .010
	O8f .5088 .5088 .7283 .010
	Wat1 .2556 .1184 .4997 .026
	Wat1P .7480 .8992 .5069 .021
	Wat2 .5931 .1196 .5541 .017
	Wat2P .4034 .8553 .4582 .012
	Wat3 .9011 .1370 .4995 .013
	Wat3P .0846 .8948 .4948 .018
	Wat4 .7743 .2537 .2557 .023
	Wat7P .2286 .7763 .7834 .028
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	Gismondine
	Vezzalini G, Quartieri S, Alberti A
	Zeolites 13 (1993) 34-42
	Structural modifications induced by dehydration in the zeolite gismondine
	Locality: Montalto di Castro, Italy
	Sample: dehydration t = 24 hr
	_database_code_amcsd 0015869
	13.902 8.892 13.952 90 90 90 *P2_12_12_1
	.25 .25 .25
	atom x y z Uiso
	Ca1 .8233 .8366 .1344 .016
	Ca2 .6105 .0773 .5755 .028
	Al1 .7480 .7488 .9306 .014
	Al2 .2456 .7602 .1389 .014
	Al3 .4648 .1010 .1419 .011
	Al4 .9646 .1181 .6465 .014
	Si1 .8119 .9880 .4995 .010
	Si2 .3810 .5056 .5019 .012
	Si3 .9012 .1352 .2143 .011
	Si4 .3985 .1474 .7174 .012
	O1 .737 .081 .433 .021
	O2 .240 .090 .923 .010
	O3 .303 .637 .519 .006
	O4 .829 .656 .005 .013
	O5 .871 .860 .439 .009
	O6 .380 .893 .948 .017
	O7 .917 .966 .250 .008
	O8 .425 .977 .749 .021
	O9 .006 .714 .338 .008
	O10 .495 .701 .821 .010
	O11 .867 .742 .695 .012
	O12 .351 .765 .207 .013
	O13 .548 .984 .094 .008
	O14 .070 .028 .603 .012
	O15 .829 .116 .120 .015
	O16 .307 .129 .646 .016
	Wat1 .992 .611 .571 .029
	Wat2 .496 .640 .072 .047
	Wat3 .819 .604 .238 .030
	Wat4 .691 .881 .246 .039
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	Mutinaite
	Vezzalini G, Quartieri S, Galli E, Alberti A, Cruciani G, Kvick A
	Zeolites 19 (1997) 323-325
	Crystal structure of the zeolite mutinaite, the natural analog of ZSM-5
	Locality: Mt. Adamson, Northern Victoria Land, Antarctica
	Note: reported occupancies do not match reported chemistry
	_database_code_amcsd 0015873
	20.201 19.991 13.469 90 90 90 Pnma
	atom x y z occ Uiso
	Si1 .4254 .0571 .6788 .883 .018
	Al1 .4254 .0571 .6788 .117 .018
	Si2 .3177 .0298 .8333 .883 .022
	Al2 .3177 .0298 .8333 .117 .022
	Si3 .2783 .0626 .0495 .883 .023
	Al3 .2783 .0626 .0495 .117 .023
	Si4 .1226 .0629 .0443 .883 .018
	Al4 .1226 .0629 .0443 .117 .018
	Si5 .0757 .0299 .8312 .883 .016
	Al5 .0757 .0299 .8312 .117 .016
	Si6 .1964 .0583 .6936 .883 .021
	Al6 .1964 .0583 .6936 .117 .021
	Si7 .4277 .8292 .6911 .883 .018
	Al7 .4277 .8292 .6911 .117 .018
	Si8 .3177 .8718 .8369 .883 .020
	Al8 .3177 .8718 .8369 .117 .020
	Si9 .2712 .8274 .0452 .883 .019
	Al9 .2712 .8274 .0452 .117 .019
	Si10 .1175 .8269 .0393 .883 .018
	Al10 .1175 .8269 .0393 .117 .018
	Si11 .0739 .8716 .8304 .883 .019
	Al11 .0739 .8716 .8304 .117 .019
	Si12 .1973 .8274 .7041 .883 .020
	Al12 .1973 .8274 .7041 .117 .020
	O1 .3865 .0561 .7848 .043
	O2 .3176 .0617 -.0559 .044
	O3 .2018 .0604 .0292 .054
	O4 .0882 .0621 -.0641 .051
	O5 .1266 .0597 .7506 .046
	O6 .2560 .0572 .7697 .063
	O7 .3850 .8438 .7906 .040
	O8 .3146 .8435 -.0545 .052
	O9 .1941 .8451 .0283 .034
	O10 .0808 .8404 -.0629 .050
	O11 .1273 .8400 .7553 .057
	O12 .2553 .8489 .7716 .059
	O13 .3182 -.0493 .838 .103
	O14 .0837 -.0503 .8367 .057
	O15 .4146 .1297 .6267 .046
	O16 .4011 -.0006 .6084 .048
	O17 .3992 .8669 .5960 .040
	O18 .1986 .1303 .6354 .050
	O19 .1985 -.0008 .6143 .059
	O20 .1999 .8687 .6000 .052
	O21 .0030 .0500 .7937 .035
	O22 .0026 .8521 .7847 .035
	O23 .4272 .75 .666 .048
	O24 .2031 .75 .675 .061
	O25 .2811 .75 .077 .041
	O26 .1082 .75 .070 .031
	Ca .4840 .25 .923 .21 .023
	CaX1 .458 .035 .091 .016 .072
	NaX1 .458 .035 .091 .015 .072
	WatX1 .458 .035 .091 .299 .072
	CaX2 .070 .25 .459 .047 .082
	NaX2 .070 .25 .459 .044 .082
	WatX2 .070 .25 .459 .889 .082
	CaX3 .457 .25 .113 .025 .051
	NaX3 .457 .25 .113 .024 .051
	WatX3 .457 .25 .113 .481 .051
	CaX4 .191 .25 .010 .022 .111
	NaX4 .191 .25 .010 .021 .111
	WatX4 .191 .25 .010 .417 .111
	CaX5 .047 .163 .648 .034 .176
	NaX5 .047 .163 .648 .032 .176
	WatX5 .047 .163 .648 .644 .176
	CaX7 .060 .056 .519 .019 .219
	NaX6 .060 .056 .519 .017 .219
	WatX6 .060 .056 .519 .354 .219
	CaX7 .010 .059 .400 .016 .099
	NaX7 .010 .059 .400 .015 .099
	WatX7 .010 .059 .400 .299 .099
	CaX8 .419 .154 .955 .020 .121
	NaX8 .419 .154 .955 .019 .121
	WatX8 .419 .154 .955 .381 .121
	CaX9 .999 .138 .424 .010 .100
	NaX9 .999 .138 .424 .009 .100
	WatX9 .999 .138 .424 .191 .100
	CaX10 .486 .076 .904 .011 .093
	NaX10 .486 .076 .904 .010 .093
	WatX10 .486 .076 .904 .199 .093
	CaX11 .291 .25 .949 .010 .031
	NaX11 .291 .25 .949 .009 .031
	WatX11 .291 .25 .949 .181 .031
	CaX12 .435 .183 .038 .010 .041
	NaX12 .435 .183 .038 .009 .041
	WatX12 .435 .183 .038 .191 .041
	CaX13 .425 .25 .818 .015 .166
	NaX13 .425 .25 .818 .014 .166
	WatX13 .425 .25 .818 .281 .166
	CaX14 .157 .25 .786 .024 .174
	NaX14 .157 .25 .786 .022 .174
	WatX14 .157 .25 .786 .444 .174
	CaX15 .278 .218 .818 .016 .087
	NaX15 .278 .218 .818 .015 .087
	WatX15 .278 .218 .818 .309 .087
	CaX16 .058 .220 .922 .014 .125
	NaX16 .058 .220 .922 .014 .125
	WatX16 .058 .220 .922 .272 .125
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