Lawsonite
	Comodi P, Zanazzi P F
	American Mineralogist 81 (1996) 833-841
	Effects of temperature and pressure on the structure of lawsonite
	P = 0.001 kbar, T = 23 C
	_database_code_amcsd 0001800
	8.797 5.852 13.126 90 90 90 Ccmm
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ca .3331 0 .25 .0124 .0098 .0084 0 0 0
	Al .25 .25 0 .0060 .0059 .0058 .0002 -.0003 -.0004
	Si .9805 0 .1330 .0053 .0062 .0051 0 .0000 0
	O1 .0496 0 .25 .0086 .0146 .0051 0 0 0
	O2 .3788 .2727 .1170 .0095 .0085 .0086 .0014 -.0019 -.0021
	O3 .1375 0 .0651 .0072 .0082 .0066 0 .0011 0
	O4 .6394 0 .0478 .0079 .0090 .0120 0 .0025 0
	O5 .6092 0 .25 .0145 .039 .0112 0 0 0
	HW .668 0 .301 .09
	H .556 0 .058 .11
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	Lawsonite
	Comodi P, Zanazzi P F
	American Mineralogist 81 (1996) 833-841
	Effects of temperature and pressure on the structure of lawsonite
	P = 0.5 kbar, T = 23 C
	_database_code_amcsd 0001801
	8.789 5.843 13.127 90 90 90 Ccmm
	atom x y z Uiso
	Ca .3330 0 .25 .0102
	Al .25 .25 0 .0058
	Si .9802 0 .1329 .0057
	O1 .0499 0 .25 .0075
	O2 .3797 .2722 .1173 .0090
	O3 .1378 0 .0646 .0072
	O4 .6385 0 .0481 .0103
	O5 .6094 0 .25 .017
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	Lawsonite
	Comodi P, Zanazzi P F
	American Mineralogist 81 (1996) 833-841
	Effects of temperature and pressure on the structure of lawsonite
	P = 28.7 kbar, T = 23 C
	_database_code_amcsd 0001802
	8.717 5.805 13.036 90 90 90 Ccmm
	atom x y z Uiso
	Ca .3322 0 .25 .0122
	Al .25 .25 0 .0073
	Si .9797 0 .1334 .0084
	O1 .051 0 .25 .0054
	O2 .3776 .273 .1179 .011
	O3 .1370 0 .0644 .012
	O4 .6358 0 .0475 .0120
	O5 .610 0 .25 .019
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	Lawsonite
	Comodi P, Zanazzi P F
	American Mineralogist 81 (1996) 833-841
	Effects of temperature and pressure on the structure of lawsonite
	P = 0.001 kbar, T = 444 C
	_database_code_amcsd 0001803
	8.852 5.882 13.194 90 90 90 Ccmm
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ca .3327 0 .25 .026 .019 .018 0 0 0
	Al .25 .25 0 .0116 .008 .010 .0004 -.0019 -.0011
	Si .9798 0 .1330 .0099 .0087 .0084 0 .0003 0
	O1 .0467 0 .25 .027 .027 .004 0 0 0
	O2 .3796 .2728 .1167 .016 .010 .017 .001 -.005 -.004
	O3 .1374 0 .0659 .012 .015 .011 0 .000 0
	O4 .6406 0 .0474 .008 .010 .019 0 .0031 0
	O5 .611 0 .25 .039 .066 .020 0 0 0
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	Lawsonite
	Comodi P, Zanazzi P F
	American Mineralogist 81 (1996) 833-841
	Effects of temperature and pressure on the structure of lawsonite
	P = 0.001 kbar, T = 538 C
	_database_code_amcsd 0001804
	8.860 5.888 13.201 90 90 90 Ccmm
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ca .3326 0 .25 .031 .025 .036 0 0 0
	Al .25 .25 0 .014 .010 .027 .0000 -.0024 -.0019
	Si .9799 0 .1329 .0111 .0110 .024 0 .0000 0
	O1 .046 0 .25 .031 .031 .017 0 0 0
	O2 .3793 .2736 .1168 .020 .015 .032 .000 -.005 -.004
	O3 .1373 0 .0658 .014 .019 .028 0 .000 0
	O4 .6396 0 .0466 .014 .013 .034 0 .0074 0
	O5 .613 0 .25 .046 .079 .035 0 0 0
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	Clinozoisite
	Comodi P, Zanazzi P F
	American Mineralogist 82 (1997) 61-68
	The pressure behavior of clinozoisite and zoisite: An X-ray
	diffraction study
	Sample: at room pressure
	_database_code_amcsd 0001855
	8.870 5.592 10.144 90 115.4 90 P2_1/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)
	Ca1 .7606 .75 .1546 .0103 .0088 .0079 0 .0056 0
	Ca2 .6068 .75 .4235 .0098 .0146 .0070 0 .0030 0
	Si1 .3385 .75 .0481 .0040 .0045 .0041 0 .0011 0
	Si2 .6791 .25 .2752 .0046 .0047 .0040 0 .0010 0
	Si3 .1826 .75 .3164 .0045 .0048 .0036 0 .0015 0
	Al1 0 0 0 .0050 .0042 .0047 -.0002 .0009 -.0004
	Al2 0 0 .5 .0050 .0041 .0051 .0001 .0011 .0000
	Al3 .2893 .25 .2239 .79 .0043 .0065 .0055 0 .0011 0
	Fe3 .2893 .25 .2239 .21 .0043 .0065 .0055 0 .0011 0
	O1 .2344 .9964 .0446 .0058 .0065 .0097 .0012 .0030 .0009
	O2 .3011 .9852 .3522 .0084 .0079 .0066 -.0025 .0034 -.0014
	O3 .7893 .0129 .3454 .0064 .0048 .0094 .0005 -.0012 -.0003
	O4 .0543 .25 .1316 .0066 .0050 .0049 0 .0017 0
	O5 .0396 .75 .1432 .0068 .0059 .0043 0 .0019 0
	O6 .0610 .75 .4015 .0081 .0056 .0066 0 .0048 0
	O7 .5167 .75 .1782 .0060 .0114 .0072 0 .0006 0
	O8 .5122 .25 .2976 .0098 .0133 .0139 0 .0084 0
	O9 .6384 .25 .1033 .0236 .0209 .0080 0 .0104 0
	O10 .0770 .25 .4246 .0078 .0064 .0054 0 .0038 0
	H .053 .25 .351 .050
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	Clinozoisite
	Comodi P, Zanazzi P F
	American Mineralogist 82 (1997) 61-68
	The pressure behavior of clinozoisite and zoisite: An X-ray
	diffraction study
	Sample: P = 0.5 kbar
	_database_code_amcsd 0001856
	8.874 5.593 10.139 90 115.4 90 P2_1/m
	atom x y z occ Uiso
	Ca1 .7604 .75 .1542 .0098
	Ca2 .6072 .75 .4236 .0136
	Si1 .3388 .75 .0481 .0057
	Si2 .6788 .25 .2753 .0058
	Si3 .1814 .75 .3155 .0055
	Al1 0 0 0 .0057
	Al2 0 0 .5 .0055
	Al3 .2891 .25 .2227 .79 .0074
	Fe3 .2891 .25 .2227 .21 .0074
	O1 .233 .9953 .042 .008
	O2 .304 .9840 .355 .008
	O3 .790 .0128 .346 .010
	O4 .052 .25 .130 .007
	O5 .037 .75 .140 .009
	O6 .062 .75 .403 .005
	O7 .519 .75 .181 .012
	O8 .513 .25 .299 .010
	O9 .640 .25 .106 .019
	O10 .079 .25 .426 .008
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	Clinozoisite
	Comodi P, Zanazzi P F
	American Mineralogist 82 (1997) 61-68
	The pressure behavior of clinozoisite and zoisite: An X-ray
	diffraction study
	Sample: P = 19.4 kbar
	_database_code_amcsd 0001857
	8.840 5.566 10.070 90 115.5 90 P2_1/m
	atom x y z occ Uiso
	Ca1 .7611 .75 .1554 .0081
	Ca2 .6069 .75 .4255 .0110
	Si1 .3398 .75 .0482 .0048
	Si2 .6797 .25 .2755 .0065
	Si3 .1821 .75 .3164 .0042
	Al1 0 0 0 .0060
	Al2 0 0 .5 .0058
	Al3 .2904 .25 .2243 .79 .0062
	Fe3 .2904 .25 .2243 .21 .0062
	O1 .2353 .9977 .045 .006
	O2 .304 .9863 .355 .008
	O3 .790 .0128 .347 .009
	O4 .052 .25 .130 .006
	O5 .039 .75 .142 .005
	O6 .063 .75 .404 .008
	O7 .519 .75 .181 .009
	O8 .513 .25 .300 .007
	O9 .634 .25 .100 .018
	O10 .078 .25 .425 .004
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	Clinozoisite
	Comodi P, Zanazzi P F
	American Mineralogist 82 (1997) 61-68
	The pressure behavior of clinozoisite and zoisite: An X-ray
	diffraction study
	Sample: P = 42 kbar
	_database_code_amcsd 0001858
	8.793 5.526 9.996 90 115.3 90 P2_1/m
	atom x y z occ Uiso
	Ca1 .7592 .75 .1529 .0101
	Ca2 .6048 .75 .4276 .0097
	Si1 .3410 .75 .0508 .0049
	Si2 .6800 .25 .2751 .0071
	Si3 .1837 .75 .3170 .0048
	Al1 0 0 0 .006
	Al2 0 0 .5 .005
	Al3 .2913 .25 .2237 .79 .0019
	Fe3 .2913 .25 .2237 .21 .0019
	O1 .2354 .998 .0455 .007
	O2 .3037 .985 .3532 .004
	O3 .7911 .014 .3439 .014
	O4 .053 .25 .135 .006
	O5 .039 .75 .142 .003
	O6 .063 .75 .404 .007
	O7 .516 .75 .182 .007
	O8 .516 .25 .306 .013
	O9 .631 .25 .100 .015
	O10 .078 .25 .422 .012
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	Zoisite
	Comodi P, Zanazzi P F
	American Mineralogist 82 (1997) 61-68
	The pressure behavior of clinozoisite and zoisite: An X-ray
	diffraction study
	Sample: P = .001 kbar, room conditions
	_database_code_amcsd 0001859
	16.212 5.555 10.034 90 90 90 Pnma
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ca1 .3668 .25 .4373 .0074 .0098 .0069 0 .0009 0
	Ca2 .4518 .25 .1150 .0125 .0110 .0077 0 -.0001 0
	Si1 .0813 .25 .1055 .0039 .0043 .0053 0 -.0006 0
	Si2 .4105 .75 .2824 .0044 .0049 .0051 0 -.0003 0
	Si3 .1600 .25 .4357 .0049 .0043 .0047 0 .0005 0
	Al1 .2497 .9970 .1897 .0047 .0040 .0060 -.0001 .0002 -.0003
	Al2 .1055 .75 .3004 .88 .0035 .0061 .0074 0 -.0005 0
	Fe2 .1055 .75 .3004 .12 .0035 .0061 .0074 0 -.0005 0
	O1 .1307 -.0006 .1453 .0059 .0055 .0107 .0003 -.0019 -.0003
	O2 .1011 .0137 .4309 .0073 .0078 .0083 -.0019 .0016 -.0006
	O3 .3587 .9897 .2450 .0067 .0042 .0118 -.0004 -.0017 .0001
	O4 .2193 .75 .3004 .0076 .0034 .0082 0 -.0009 0
	O5 .2275 .25 .3119 .0062 .0047 .0050 0 .0010 0
	O6 .2718 .75 .0600 .0045 .0073 .0050 0 -.0009 0
	O7 .9916 .25 .1639 .006 .0100 .0128 0 .0011 0
	O8 .9960 .75 .2952 .008 .0126 .0141 0 -.0026 0
	O9 .4211 .75 .4431 .019 .023 .0073 0 -.0002 0
	O10 .2682 .25 .0754 .013 .0058 .0063 0 .0014 0
	H .263 .25 .976 .050
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	Kyanite
	Comodi P, Zanazzi P F, Poli S, Schmidt M W
	American Mineralogist 82 (1997) 452-459
	High-pressure behavior of kyanite: Compressibility and structural deformation
	Sample: P = 0.001 kbar, in air
	_database_code_amcsd 0001887
	7.124 7.856 5.577 89.99 101.15 105.95 P-1
	atom x y z Uiso
	Si1 .2963 .0649 .7067 .0040
	Si2 .2910 .3318 .1892 .0038
	Al1 .3254 .7042 .4582 .0047
	Al2 .2974 .6988 .9505 .0046
	Al3 .0997 .3861 .6405 .0045
	Al4 .1120 .9174 .1648 .0047
	O1 .1094 .1469 .1288 .0054
	O2 .1231 .6855 .1815 .0049
	O3 .2750 .4546 .9546 .0058
	O4 .2832 .9356 .9357 .0056
	O5 .1083 .1521 .6666 .0052
	O6 .1221 .6306 .6390 .0051
	O7 .2823 .4452 .4288 .0058
	O8 .2914 .9469 .4659 .0058
	O9 .5007 .2751 .2447 .0055
	O10 .5012 .2310 .7561 .0053
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	Kyanite
	Comodi P, Zanazzi P F, Poli S, Schmidt M W
	American Mineralogist 82 (1997) 452-459
	High-pressure behavior of kyanite: Compressibility and structural deformation
	Sample: P = 0.1 kbar
	_database_code_amcsd 0001888
	7.117 7.860 5.575 90.02 101.02 106.06 P-1
	atom x y z Uiso
	Si1 .297 .0651 .7070 .0052
	Si2 .292 .3321 .1893 .0053
	Al1 .323 .7038 .4582 .006
	Al2 .298 .6991 .9501 .0061
	Al3 .101 .3856 .6409 .0052
	Al4 .111 .9170 .1648 .0053
	O1 .104 .146 .128 .01
	O2 .130 .686 .184 .003
	O3 .272 .454 .954 .004
	O4 .282 .935 .934 .006
	O5 .106 .150 .664 .004
	O6 .119 .629 .637 .005
	O7 .284 .445 .429 .009
	O8 .292 .948 .463 .005
	O9 .499 .277 .245 .008
	O10 .494 .231 .753 .005
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	Kyanite
	Comodi P, Zanazzi P F, Poli S, Schmidt M W
	American Mineralogist 82 (1997) 452-459
	High-pressure behavior of kyanite: Compressibility and structural deformation
	Sample: P = 25.4 kbar
	_database_code_amcsd 0001889
	7.079 7.824 5.547 90.13 101.00 105.98 P-1
	atom x y z Uiso
	Si1 .298 .0660 .7073 .0025
	Si2 .292 .3316 .1895 .0031
	Al1 .326 .7043 .4592 .0037
	Al2 .299 .6992 .9506 .0045
	Al3 .103 .3866 .6403 .0036
	Al4 .112 .9181 .1652 .0037
	O1 .108 .148 .132 .006
	O2 .129 .687 .184 .003
	O3 .272 .455 .956 .004
	O4 .283 .936 .936 .004
	O5 .110 .151 .665 .008
	O6 .118 .631 .638 .004
	O7 .285 .446 .429 .004
	O8 .292 .947 .465 .006
	O9 .499 .275 .245 .004
	O10 .498 .232 .754 .004
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	Kyanite
	Comodi P, Zanazzi P F, Poli S, Schmidt M W
	American Mineralogist 82 (1997) 452-459
	High-pressure behavior of kyanite: Compressibility and structural deformation
	Sample: P = 37 kbar
	_database_code_amcsd 0001890
	7.065 7.805 5.537 90.12 101.08 105.86 P-1
	atom x y z Uiso
	Si1 .299 .0660 .7080 .0034
	Si2 .293 .3319 .1892 .0026
	Al1 .328 .7051 .4600 .0055
	Al2 .297 .6989 .9495 .0040
	Al3 .102 .3867 .6409 .0041
	Al4 .113 .9184 .1653 .0053
	O1 .109 .148 .130 .011
	O2 .128 .685 .181 .003
	O3 .276 .454 .951 .005
	O4 .283 .933 .935 .008
	O5 .113 .152 .666 .002
	O6 .115 .629 .638 .012
	O7 .284 .444 .429 .012
	O8 .292 .946 .465 .004
	O9 .504 .275 .245 .010
	O10 .499 .232 .753 .001
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	Kyanite
	Comodi P, Zanazzi P F, Poli S, Schmidt M W
	American Mineralogist 82 (1997) 452-459
	High-pressure behavior of kyanite: Compressibility and structural deformation
	Sample: P = 47 kbar
	_database_code_amcsd 0001891
	7.063 7.784 5.524 90.13 101.16 105.85 P-1
	atom x y z Uiso
	Si1 .298 .0655 .7069 .003
	Si2 .294 .3325 .1897 .003
	Al1 .326 .705 .458 .006
	Al2 .295 .6989 .950 .006
	Al3 .102 .3879 .641 .000
	Al4 .110 .9144 .163 .001
	O1 .119 .150 .134 .002
	O2 .116 .680 .181 .001
	O3 .280 .455 .953 .002
	O4 .278 .934 .937 .000
	O5 .119 .155 .667 .002
	O6 .121 .633 .640 .001
	O7 .287 .447 .429 .000
	O8 .291 .946 .462 .003
	O9 .511 .273 .247 .005
	O10 .511 .237 .758 .005
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	Tetra-ferri-annite
	Comodi P, Zanazzi P F, Weiss Z, Rieder M, Drabek M
	American Mineralogist 84 (1999) 325-332
	"Cs-tetra-ferri-annite:" High-pressure and high-temperature behavior of a
	potential nuclear waste disposal phase
	T = 23 deg C, P = .001 kbar, crystal 1
	_database_code_amcsd 0002202
	5.486 9.506 10.818 90 99.67 90 C2/m
	atom x y z occ Uiso
	Cs 0 .5 0 .89 .0221
	Fe1 0 0 .5 .0110
	Fe2 0 .3323 .5 .0099
	Si .0797 .1666 .2384 .76 .0111
	Fe .0797 .1666 .2384 .23 .0111
	Al .0797 .1666 .2384 .01 .0111
	O1 .0588 0 .1836 .029
	O2 .3117 .2496 .1824 .029
	O3 .1325 .1664 .3958 .0123
	O4 .1322 .5 .4018 .012
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	Tetra-ferri-annite
	Comodi P, Zanazzi P F, Weiss Z, Rieder M, Drabek M
	American Mineralogist 84 (1999) 325-332
	"Cs-tetra-ferri-annite:" High-pressure and high-temperature behavior of a
	potential nuclear waste disposal phase
	T = 23 deg C, P = 39.4 kbar, crystal 1
	_database_code_amcsd 0002203
	5.444 9.439 10.185 90 100.2 90 C2/m
	atom x y z occ Uiso
	Cs 0 .5 0 .89 .0165
	Fe1 0 0 .5 .010
	Fe2 0 .3327 .5 .0099
	Si .0753 .1666 .2252 .76 .0121
	Fe .0753 .1666 .2252 .23 .0121
	Al .0753 .1666 .2252 .01 .0121
	O1 .061 0 .173 .034
	O2 .306 .249 .169 .030
	O3 .131 .167 .394 .015
	O4 .131 .5 .392 .010
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	Tetra-ferri-annite
	Comodi P, Zanazzi P F, Weiss Z, Rieder M, Drabek M
	American Mineralogist 84 (1999) 325-332
	"Cs-tetra-ferri-annite:" High-pressure and high-temperature behavior of a
	potential nuclear waste disposal phase
	T = 23 deg C, crystal 2
	_database_code_amcsd 0002204
	5.480 9.498 10.820 90 99.76 90 C2/m
	atom x y z occ Uiso
	Cs 0 .5 0 .89 .0209
	Fe1 0 0 .5 .0088
	Fe2 0 .33192 .5 .0090
	Si .0796 .16662 .23820 .76 .0099
	Fe .0796 .16662 .23820 .23 .0099
	Al .0796 .16662 .23820 .01 .0099
	O1 .0610 0 .1838 .0272
	O2 .3119 .2501 .1844 .0287
	O3 .1326 .1662 .3962 .0118
	O4 .1325 .5 .4015 .0115
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	Tetra-ferri-annite
	Comodi P, Zanazzi P F, Weiss Z, Rieder M, Drabek M
	American Mineralogist 84 (1999) 325-332
	"Cs-tetra-ferri-annite:" High-pressure and high-temperature behavior of a
	potential nuclear waste disposal phase
	T = 296 deg C, crystal 2
	_database_code_amcsd 0002205
	5.480 9.500 10.907 90 99.60 90 C2/m
	atom x y z occ Uiso
	Cs 0 .5 0 .89 .0410
	Fe1 0 0 .5 .0195
	Fe2 0 .3319 .5 .0202
	Si .0793 .1662 .2393 .76 .0184
	Fe .0793 .1662 .2393 .23 .0184
	Al .0793 .1662 .2393 .01 .0184
	O1 .0615 0 .1849 .042
	O2 .3146 .2503 .1864 .041
	O3 .1325 .1667 .3965 .021
	O4 .1325 .5 .4008 .025
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	Tetra-ferri-annite
	Comodi P, Zanazzi P F, Weiss Z, Rieder M, Drabek M
	American Mineralogist 84 (1999) 325-332
	"Cs-tetra-ferri-annite:" High-pressure and high-temperature behavior of a
	potential nuclear waste disposal phase
	T = 435 deg C, crystal 2
	_database_code_amcsd 0002206
	5.476 9.502 10.954 90 99.54 90 C2/m
	atom x y z occ Uiso
	Cs 0 .5 0 .89 .0495
	Fe1 0 0 .5 .0251
	Fe2 0 .3326 .5 .0249
	Si .0793 .1667 .2398 .76 .0229
	Fe .0793 .1667 .2398 .23 .0229
	Al .0793 .1667 .2398 .01 .0229
	O1 .0633 0 .1870 .052
	O2 .3128 .2512 .1865 .047
	O3 .1303 .1672 .3961 .024
	O4 .1348 .5 .4016 .030
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	Tetra-ferri-annite
	Comodi P, Zanazzi P F, Weiss Z, Rieder M, Drabek M
	American Mineralogist 84 (1999) 325-332
	"Cs-tetra-ferri-annite:" High-pressure and high-temperature behavior of a
	potential nuclear waste disposal phase
	T = 23 deg C after heating, crystal 2
	_database_code_amcsd 0002207
	5.452 9.448 10.786 90 99.77 90 C2/m
	atom x y z occ Uiso
	Cs 0 .5 0 .89 .0243
	Fe1 0 0 .5 .0148
	Fe2 0 .3393 .5 .0151
	Si .0797 .1677 .2367 .76 .0142
	Fe .0797 .1677 .2367 .23 .0142
	Al .0797 .1677 .2367 .01 .0142
	O1 .0588 0 .1843 .032
	O2 .3130 .2483 .1812 .0324
	O3 .1337 .1719 .3961 .0161
	O4 .1373 .5 .4059 .0166
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	Tetraferriannite
	Comodi P, Zanazzi P F, Weiss Z, Rieder M, Drabek M
	American Mineralogist 84 (1999) 325-332
	"Cs-tetra-ferri-annite:" High-pressure and high-temperature behavior of a
	potential nuclear waste disposal phase
	T = 23 deg C, P = .001 kbar, crystal 1
	_database_code_amcsd 0002208
	5.486 9.506 10.818 90 99.67 90 C2/m
	atom x y z occ Uiso
	Cs 0 .5 0 .89 .0221
	Fe1 0 0 .5 .0110
	Fe2 0 .3323 .5 .0099
	Si .0797 .1666 .2384 .76 .0111
	Fe .0797 .1666 .2384 .23 .0111
	Al .0797 .1666 .2384 .01 .0111
	O1 .0588 0 .1836 .029
	O2 .3117 .2496 .1824 .029
	O3 .1325 .1664 .3958 .0123
	O4 .1322 .5 .4018 .012
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	Tetraferriannite
	Comodi P, Zanazzi P F, Weiss Z, Rieder M, Drabek M
	American Mineralogist 84 (1999) 325-332
	"Cs-tetra-ferri-annite:" High-pressure and high-temperature behavior of a
	potential nuclear waste disposal phase
	T = 23 deg C, P = 39.4 kbar, crystal 1
	_database_code_amcsd 0002209
	5.444 9.439 10.185 90 100.2 90 C2/m
	atom x y z occ Uiso
	Cs 0 .5 0 .89 .0165
	Fe1 0 0 .5 .010
	Fe2 0 .3327 .5 .0099
	Si .0753 .1666 .2252 .76 .0121
	Fe .0753 .1666 .2252 .23 .0121
	Al .0753 .1666 .2252 .01 .0121
	O1 .061 0 .173 .034
	O2 .306 .249 .169 .030
	O3 .131 .167 .394 .015
	O4 .131 .5 .392 .010
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	Tetraferriannite
	Comodi P, Zanazzi P F, Weiss Z, Rieder M, Drabek M
	American Mineralogist 84 (1999) 325-332
	"Cs-tetra-ferri-annite:" High-pressure and high-temperature behavior of a
	potential nuclear waste disposal phase
	T = 23 deg C, crystal 2
	_database_code_amcsd 0002210
	5.480 9.498 10.820 90 99.76 90 C2/m
	atom x y z occ Uiso
	Cs 0 .5 0 .89 .0209
	Fe1 0 0 .5 .0088
	Fe2 0 .33192 .5 .0090
	Si .0796 .16662 .23820 .76 .0099
	Fe .0796 .16662 .23820 .23 .0099
	Al .0796 .16662 .23820 .01 .0099
	O1 .0610 0 .1838 .0272
	O2 .3119 .2501 .1844 .0287
	O3 .1326 .1662 .3962 .0118
	O4 .1325 .5 .4015 .0115
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	Tetraferriannite
	Comodi P, Zanazzi P F, Weiss Z, Rieder M, Drabek M
	American Mineralogist 84 (1999) 325-332
	"Cs-tetra-ferri-annite:" High-pressure and high-temperature behavior of a
	potential nuclear waste disposal phase
	T = 296 deg C, crystal 2
	_database_code_amcsd 0002211
	5.480 9.500 10.907 90 99.60 90 C2/m
	atom x y z occ Uiso
	Cs 0 .5 0 .89 .0410
	Fe1 0 0 .5 .0195
	Fe2 0 .3319 .5 .0202
	Si .0793 .1662 .2393 .76 .0184
	Fe .0793 .1662 .2393 .23 .0184
	Al .0793 .1662 .2393 .01 .0184
	O1 .0615 0 .1849 .042
	O2 .3146 .2503 .1864 .041
	O3 .1325 .1667 .3965 .021
	O4 .1325 .5 .4008 .025
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	Tetraferriannite
	Comodi P, Zanazzi P F, Weiss Z, Rieder M, Drabek M
	American Mineralogist 84 (1999) 325-332
	"Cs-tetra-ferri-annite:" High-pressure and high-temperature behavior of a
	potential nuclear waste disposal phase
	T = 435 deg C, crystal 2
	_database_code_amcsd 0002212
	5.476 9.502 10.954 90 99.54 90 C2/m
	atom x y z occ Uiso
	Cs 0 .5 0 .89 .0495
	Fe1 0 0 .5 .0251
	Fe2 0 .3326 .5 .0249
	Si .0793 .1667 .2398 .76 .0229
	Fe .0793 .1667 .2398 .23 .0229
	Al .0793 .1667 .2398 .01 .0229
	O1 .0633 0 .1870 .052
	O2 .3128 .2512 .1865 .047
	O3 .1303 .1672 .3961 .024
	O4 .1348 .5 .4016 .030
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	Tetraferriannite
	Comodi P, Zanazzi P F, Weiss Z, Rieder M, Drabek M
	American Mineralogist 84 (1999) 325-332
	"Cs-tetra-ferri-annite:" High-pressure and high-temperature behavior of a
	potential nuclear waste disposal phase
	T = 23 deg C after heating, crystal 2
	_database_code_amcsd 0002213
	5.452 9.448 10.786 90 99.77 90 C2/m
	atom x y z occ Uiso
	Cs 0 .5 0 .89 .0243
	Fe1 0 0 .5 .0148
	Fe2 0 .3393 .5 .0151
	Si .0797 .1677 .2367 .76 .0142
	Fe .0797 .1677 .2367 .23 .0142
	Al .0797 .1677 .2367 .01 .0142
	O1 .0588 0 .1843 .032
	O2 .3130 .2483 .1812 .0324
	O3 .1337 .1719 .3961 .0161
	O4 .1373 .5 .4059 .0166
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	Staurolite
	Comodi P, Montagnoli M, Zanazzi P F, Ballaran T B
	American Mineralogist 87 (2002) 1164-1171
	Isothermal compression of staurolite: A single-crystal study
	Sample: room pressure
	_database_code_amcsd 0002884
	7.886 16.659 5.671 90 90 90 Ccmm
	atom x y z occ Uiso
	SiT1 .13406 .1660 .25 .94 .0072
	AlT1 .13406 .1660 .25 .06 .0072
	FeT2 .3925 0 .25 .84 .0173
	LiT2 .3925 0 .25 .03 .0173
	ZnT2 .3925 0 .25 .01 .0173
	MnT2 .3925 0 .25 .01 .0173
	AlM1 .5 .1752 0 .97 .0077
	FeM1 .5 .1752 0 .01 .0077
	MgM1 .5 .1752 0 .02 .0077
	AlM2 .2633 .4105 .25 .97 .0086
	FeM2 .2633 .4105 .25 .01 .0086
	MgM2 .2633 .4105 .25 .02 .0086
	AlM3 0 0 0 .87 .008
	MgM3 0 0 0 .13 .008
	FeM4 .5 0 0 .84 .02
	ZnM4 .5 0 0 .01 .02
	LiM4 .5 0 0 .03 .02
	MnM4 .5 0 0 .01 .02
	O1 .2349 0 .9658 .0105
	O2 .2550 .1613 .0153 .0084
	O3 .0016 .0891 .25 .0107
	O4 .0213 .2492 .25 .0086
	O5 .5268 .1001 .25 .0083
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	Staurolite
	Comodi P, Montagnoli M, Zanazzi P F, Ballaran T B
	American Mineralogist 87 (2002) 1164-1171
	Isothermal compression of staurolite: A single-crystal study
	Sample: P = 2.48 GPa
	_database_code_amcsd 0002885
	7.848 16.580 5.641 90 90 90 Ccmm
	atom x y z occ Uiso
	SiT1 .1333 .1665 .25 .94 .0061
	AlT1 .1333 .1665 .25 .06 .0061
	FeT2 .3927 0 .25 .84 .021
	LiT2 .3927 0 .25 .03 .021
	ZnT2 .3927 0 .25 .01 .021
	MnT2 .3927 0 .25 .01 .021
	AlM1 .5 .1755 0 .97 .0047
	FeM1 .5 .1755 0 .01 .0047
	MgM1 .5 .1755 0 .02 .0047
	AlM2 .2636 .4099 .25 .97 .007
	FeM2 .2636 .4099 .25 .01 .007
	MgM2 .2636 .4099 .25 .02 .007
	AlM3 0 0 0 .87 .008
	MgM3 0 0 0 .13 .008
	FeM4 .5 0 0 .84 .001
	ZnM4 .5 0 0 .01 .001
	LiM4 .5 0 0 .03 .001
	MnM4 .5 0 0 .01 .001
	O1 .2342 0 .966 .009
	O2 .2544 .1623 .015 .005
	O3 .0021 .0892 .25 .005
	O4 .0219 .2489 .25 .004
	O5 .5263 .1010 .25 .006
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	Staurolite
	Comodi P, Montagnoli M, Zanazzi P F, Ballaran T B
	American Mineralogist 87 (2002) 1164-1171
	Isothermal compression of staurolite: A single-crystal study
	Sample: P = 4.15 GPa
	_database_code_amcsd 0002886
	7.820 16.510 5.626 90 90 90 Ccmm
	atom x y z occ Uiso
	SiT1 .1339 .1661 .25 .94 .0071
	AlT1 .1339 .1661 .25 .06 .0071
	FeT2 .3925 0 .25 .84 .021
	LiT2 .3925 0 .25 .03 .021
	ZnT2 .3925 0 .25 .01 .021
	MnT2 .3925 0 .25 .01 .021
	AlM1 .5 .1757 0 .97 .006
	FeM1 .5 .1757 0 .01 .006
	MgM1 .5 .1757 0 .02 .006
	AlM2 .2636 .4100 .25 .97 .010
	FeM2 .2636 .4100 .25 .01 .010
	MgM2 .2636 .4100 .25 .02 .010
	AlM3 0 0 0 .87 .005
	MgM3 0 0 0 .13 .005
	FeM4 .5 0 0 .84 .005
	ZnM4 .5 0 0 .01 .005
	LiM4 .5 0 0 .03 .005
	MnM4 .5 0 0 .01 .005
	O1 .235 0 .968 .012
	O2 .2540 .1603 .0147 .010
	O3 .002 .0889 .25 .009
	O4 .022 .2493 .25 .009
	O5 .5276 .1006 .25 .008
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	Staurolite
	Comodi P, Montagnoli M, Zanazzi P F, Ballaran T B
	American Mineralogist 87 (2002) 1164-1171
	Isothermal compression of staurolite: A single-crystal study
	Sample: P = 5.43 GPa
	_database_code_amcsd 0002887
	7.814 16.480 5.617 90 90 90 Ccmm
	atom x y z occ Uiso
	SiT1 .1342 .1667 .25 .94 .006
	AlT1 .1342 .1667 .25 .06 .006
	FeT2 .3926 0 .25 .84 .016
	LiT2 .3926 0 .25 .03 .016
	ZnT2 .3926 0 .25 .01 .016
	MnT2 .3926 0 .25 .01 .016
	AlM1 .5 .1757 0 .97 .008
	FeM1 .5 .1757 0 .01 .008
	MgM1 .5 .1757 0 .02 .008
	AlM2 .2631 .4103 .25 .97 .009
	FeM2 .2631 .4103 .25 .01 .009
	MgM2 .2631 .4103 .25 .02 .009
	AlM3 0 0 0 .87 .009
	MgM3 0 0 0 .13 .009
	FeM4 .5 0 0 .84 .06
	ZnM4 .5 0 0 .01 .06
	LiM4 .5 0 0 .03 .06
	MnM4 .5 0 0 .01 .06
	O1 .235 0 .968 .009
	O2 .2558 .1630 .014 .003
	O3 .001 .087 .25 .003
	O4 .018 .247 .25 .007
	O5 .527 .100 .25 .006
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	Staurolite
	Comodi P, Montagnoli M, Zanazzi P F, Ballaran T B
	American Mineralogist 87 (2002) 1164-1171
	Isothermal compression of staurolite: A single-crystal study
	Sample: P = 6.84 GPa
	_database_code_amcsd 0002888
	7.792 16.465 5.599 90 90 90 Ccmm
	atom x y z occ Uiso
	SiT1 .1335 .1668 .25 .94 .0046
	AlT1 .1335 .1668 .25 .06 .0046
	FeT2 .3935 0 .25 .84 .016
	LiT2 .3935 0 .25 .03 .016
	ZnT2 .3935 0 .25 .01 .016
	MnT2 .3935 0 .25 .01 .016
	AlM1 .5 .1760 0 .97 .008
	FeM1 .5 .1760 0 .01 .008
	MgM1 .5 .1760 0 .02 .008
	AlM2 .2638 .4105 .25 .97 .009
	FeM2 .2638 .4105 .25 .01 .009
	MgM2 .2638 .4105 .25 .02 .009
	AlM3 0 0 0 .87 .009
	MgM3 0 0 0 .13 .009
	FeM4 .5 0 0 .84 .04
	ZnM4 .5 0 0 .01 .04
	LiM4 .5 0 0 .03 .04
	MnM4 .5 0 0 .01 .04
	O1 .236 0 .969 .011
	O2 .2552 .1629 .014 .003
	O3 .0018 .087 .25 .003
	O4 .016 .246 .25 .005
	O5 .526 .099 .25 .004
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	Staurolite
	Comodi P, Montagnoli M, Zanazzi P F, Ballaran T B
	American Mineralogist 87 (2002) 1164-1171
	Isothermal compression of staurolite: A single-crystal study
	Sample: P = 8.74 GPa
	_database_code_amcsd 0002889
	7.779 16.416 5.586 90 90 90 Ccmm
	atom x y z occ Uiso
	SiT1 .1336 .1665 .25 .94 .0069
	AlT1 .1336 .1665 .25 .06 .0069
	FeT2 .3935 0 .25 .84 .018
	LiT2 .3935 0 .25 .03 .018
	ZnT2 .3935 0 .25 .01 .018
	MnT2 .3935 0 .25 .01 .018
	AlM1 .5 .1752 0 .97 .009
	FeM1 .5 .1752 0 .01 .009
	MgM1 .5 .1752 0 .02 .009
	AlM2 .2637 .4098 .25 .97 .0089
	FeM2 .2637 .4098 .25 .01 .0089
	MgM2 .2637 .4098 .25 .02 .0089
	AlM3 0 0 0 .87 .006
	MgM3 0 0 0 .13 .006
	FeM4 .5 0 0 .84 .001
	ZnM4 .5 0 0 .01 .001
	LiM4 .5 0 0 .03 .001
	MnM4 .5 0 0 .01 .001
	O1 .238 0 .970 .009
	O2 .2546 .1614 .0137 .007
	O3 .0019 .0870 .25 .003
	O4 .017 .2472 .25 .009
	O5 .5237 .098 .25 .007
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	Edingtonite
	Gatta G D, Ballaran T B, Comodi P, Zanazzi P F
	American Mineralogist 89 (2004) 633-639
	Isothermal equation of state and compressional behavior of tetragonal edingtonite
	Sample at P = 0.0001 GPa in air
	_database_code_amcsd 0003529
	9.5909 9.5909 6.5339 90 90 90 P-42_1m
	atom x y z occ Uiso
	Ba1 .5 .0 .64292 .79 .01583
	Ba2 .5 .0 .5938 .15 .0138
	SiT1 .0 .0 .0 .60 .00933
	AlT1 .0 .0 .0 .40 .00933
	SiT2 -.17347 .09318 .38107 .61 .00934
	AlT2 -.17347 .09318 .38107 .39 .00934
	O1 .17297 .32703 .62436 .01337
	O23 -.04481 .19643 .46501 .01664
	O45 -.13667 .03769 .14424 .01659
	Wat1 .17659 .32341 .1461 .79 .0310
	Wat2 .37786 .12214 -.0251 .98 .0581
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	Edingtonite
	Gatta G D, Ballaran T B, Comodi P, Zanazzi P F
	American Mineralogist 89 (2004) 633-639
	Isothermal equation of state and compressional behavior of tetragonal edingtonite
	Sample at P = 0.0001 GPa in diamond cell
	_database_code_amcsd 0003530
	9.5909 9.5909 6.5339 90 90 90 P-42_1m
	atom x y z occ Uiso
	Ba1 .5 .0 .6448 .76 .0193
	Ba2 .5 .0 .5938 .15 .0269
	SiT1 .0 .0 .0 .60 .0148
	AlT1 .0 .0 .0 .40 .0148
	SiT2 -.17337 .09321 .38132 .61 .01698
	AlT2 -.17337 .09321 .38132 .39 .01698
	O1 .17285 .32715 .6195 .0209
	O23 -.04456 .1945 .4665 .0227
	O45 -.1364 .03823 .1456 .0219
	Wat1 .1786 .3213 .1405 .74 .0376
	Wat2 .3740 .1259 -.0192 .92 .066
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	Edingtonite
	Gatta G D, Ballaran T B, Comodi P, Zanazzi P F
	American Mineralogist 89 (2004) 633-639
	Isothermal equation of state and compressional behavior of tetragonal edingtonite
	Sample at P = 2.285 GPa
	_database_code_amcsd 0003531
	9.4669 9.4669 6.4765 90 90 90 P-42_1m
	atom x y z occ Uiso
	Ba1 .5 .0 .64407 .84 .0156
	Ba2 .5 .0 .599 .04 .035
	SiT1 .0 .0 .0 .60 .0185
	AlT1 .0 .0 .0 .40 .0185
	SiT2 -.17650 .08882 .38125 .61 .01860
	AlT2 -.17650 .08882 .38125 .39 .01860
	O1 .16745 .33255 .6277 .0179
	O23 -.05014 .19435 .4589 .0229
	O45 -.14302 .03088 .1435 .0242
	Wat1 .1793 .3206 .1552 .74 .0160
	Wat2 .3774 .1225 -.0136 .92 .0499
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	Edingtonite
	Gatta G D, Ballaran T B, Comodi P, Zanazzi P F
	American Mineralogist 89 (2004) 633-639
	Isothermal equation of state and compressional behavior of tetragonal edingtonite
	Sample at P = 4.611 GPa
	_database_code_amcsd 0003532
	9.3466 9.3466 6.42705 90 90 90 P-42_1m
	atom x y z occ Uiso
	Ba1 .5 .0 .64515 .89 .01287
	SiT1 .0 .0 .0 .60 .0170
	AlT1 .0 .0 .0 .40 .0170
	SiT2 -.17921 .08614 .38026 .61 .0139
	AlT2 -.17921 .08614 .38026 .39 .0139
	O1 .1588 .3411 .6303 .0153
	O23 -.0508 .1909 .4544 .0236
	O45 -.1480 .0230 .1438 .0203
	Wat1 .1851 .3148 .1613 .74 .0106
	Wat2 .3757 .1243 -.0170 .92 .0446
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	Phlogopite
	Comodi P, Fumagalli P, Montagnoli M, Zanazzi P F
	American Mineralogist 89 (2004) 647-653
	A single-crystal study on the pressure behavior of phlogopite
	and petrological implications
	P = 0.0001 GPa
	_database_code_amcsd 0003534
	5.337 9.240 10.237 90 100.02 90 C2/m
	atom x y z occ Uiso
	K 0 0 0 .91 .030
	Ba 0 0 0 .03 .030
	Na 0 0 0 .02 .030
	SiT .5743 .1671 .225 .68 .0068
	AlT .5743 .1671 .225 .32 .0068
	MgM1 0 1/2 1/2 .72 .0068
	FeM1 0 1/2 1/2 .28 .0068
	MgM2 0 .8352 1/2 .73 .0045
	FeM2 0 .8352 1/2 .27 .0045
	O1 .831 .2264 .169 .021
	O2 .507 0 .167 .023
	O3 .631 .1674 .393 .004
	O4 .129 0 .389 .05 .009
	F4 .129 0 .389 .09 .009
	OH4 .129 0 .389 .86 .009
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	Phlogopite
	Comodi P, Fumagalli P, Montagnoli M, Zanazzi P F
	American Mineralogist 89 (2004) 647-653
	A single-crystal study on the pressure behavior of phlogopite
	and petrological implications
	P = 1.2 GPa
	_database_code_amcsd 0003535
	5.318 9.210 10.10 90 100.12 90 C2/m
	atom x y z occ Uiso
	K 0 0 0 .91 .024
	Ba 0 0 0 .03 .024
	Na 0 0 0 .02 .024
	SiT .5747 .1668 .223 .68 .0130
	AlT .5747 .1668 .223 .32 .0130
	MgM1 0 1/2 1/2 .72 .0122
	FeM1 0 1/2 1/2 .28 .0122
	MgM2 0 .8361 1/2 .73 .0126
	FeM2 0 .8361 1/2 .27 .0126
	O1 .834 .2232 .169 .024
	O2 .502 0 .167 .025
	O3 .630 .1663 .391 .020
	O4 .128 0 .391 .05 .021
	F4 .128 0 .391 .09 .021
	OH4 .128 0 .391 .86 .021
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	Phlogopite
	Comodi P, Fumagalli P, Montagnoli M, Zanazzi P F
	American Mineralogist 89 (2004) 647-653
	A single-crystal study on the pressure behavior of phlogopite
	and petrological implications
	P = 3.2 GPa
	_database_code_amcsd 0003536
	5.291 9.160 9.90 90 100.3 90 C2/m
	atom x y z occ Uiso
	K 0 0 0 .91 .017
	Ba 0 0 0 .03 .017
	Na 0 0 0 .02 .017
	SiT .5725 .1672 .2177 .68 .0071
	AlT .5725 .1672 .2177 .32 .0071
	MgM1 0 1/2 1/2 .72 .0062
	FeM1 0 1/2 1/2 .28 .0062
	MgM2 0 .8365 1/2 .73 .0066
	FeM2 0 .8365 1/2 .27 .0066
	O1 .834 .2208 .160 .017
	O2 .494 0 .158 .016
	O3 .630 .1670 .391 .008
	O4 .126 0 .383 .05 .016
	F4 .126 0 .383 .09 .016
	OH4 .126 0 .383 .86 .016
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	Phlogopite
	Comodi P, Fumagalli P, Montagnoli M, Zanazzi P F
	American Mineralogist 89 (2004) 647-653
	A single-crystal study on the pressure behavior of phlogopite
	and petrological implications
	P = 5.0 GPa
	_database_code_amcsd 0003537
	5.271 9.130 9.78 90 100.3 90 C2/m
	atom x y z occ Uiso
	K 0 0 0 .91 .0179
	Ba 0 0 0 .03 .0179
	Na 0 0 0 .02 .0179
	SiT .5715 .1673 .2151 .68 .0108
	AlT .5715 .1673 .2151 .32 .0108
	MgM1 0 1/2 1/2 .72 .0085
	FeM1 0 1/2 1/2 .28 .0085
	MgM2 0 .8366 1/2 .73 .0100
	FeM2 0 .8366 1/2 .27 .0100
	O1 .834 .2134 .158 .021
	O2 .490 0 .156 .022
	O3 .629 .1675 .388 .013
	O4 .128 0 .387 .05 .014
	F4 .128 0 .387 .09 .014
	OH4 .128 0 .387 .86 .014
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	Phlogopite
	Comodi P, Fumagalli P, Montagnoli M, Zanazzi P F
	American Mineralogist 89 (2004) 647-653
	A single-crystal study on the pressure behavior of phlogopite
	and petrological implications
	P = 6.0 GPa
	_database_code_amcsd 0003538
	5.256 9.105 9.71 90 100.4 90 C2/m
	atom x y z occ Uiso
	K 0 0 0 .91 .0141
	Ba 0 0 0 .03 .0141
	Na 0 0 0 .02 .0141
	SiT .5720 .1668 .2160 .68 .0079
	AlT .5720 .1668 .2160 .32 .0079
	MgM1 0 1/2 1/2 .72 .0072
	FeM1 0 1/2 1/2 .28 .0072
	MgM2 0 .8369 1/2 .73 .0074
	FeM2 0 .8369 1/2 .27 .0074
	O1 .834 .2196 .154 .019
	O2 .488 0 .152 .019
	O3 .6317 .1674 .393 .011
	O4 .128 0 .387 .05 .010
	F4 .128 0 .387 .09 .010
	OH4 .128 0 .387 .86 .010
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	Levyne-Ca
	Gatta G D, Comodi P, Zanazzi P F, Ballaran T B
	American Mineralogist 90 (2005) 645-652
	Anomalous elastic behavior and high-pressure structural evolution of zeolite levyne
	Locality: Beech Creek, Grant County, Oregon
	P = .0001 GPa uncompressed
	_database_code_amcsd 0003750
	13.335 13.335 22.823 90 90 120 R-3m
	atom x y z occ Uiso
	Ca1 0 0 .1403 .77 .023
	Ca2 0 0 .2844 .23 .059
	K4 0 0 .431 .24 .14
	Na5 0 0 .5 .3 .005
	Si1 .0002 .2323 .07008 .637 .0149
	Al1 .0002 .2323 .07008 .363 .0149
	Si2 .2391 0 .5 .797 .0134
	Al2 .2391 0 .5 .203 .0134
	O1 .0349 .3500 .1081 .0323
	O2 .0915 -.0915 .0835 .028
	O3 .1288 -.1288 -.0919 .030
	O4 .2630 0 0 .033
	O5 .2225 -.2225 .1796 .031
	Wat1 .1533 .0766 .2107 .059
	Wat2 .1218 .243 .2854 .159
	Wat3 .158 .079 .3496 .173
	Wat4 .210 .421 .287 .13 .04
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	Levyne-Ca
	Gatta G D, Comodi P, Zanazzi P F, Ballaran T B
	American Mineralogist 90 (2005) 645-652
	Anomalous elastic behavior and high-pressure structural evolution of zeolite levyne
	Locality: Beech Creek, Grant County, Oregon
	P = .79 GPa
	_database_code_amcsd 0003751
	13.196 13.196 22.895 90 90 120 R-3m
	atom x y z occ Uiso
	Ca1 0 0 .136 .65 .026
	Ca2 0 0 .280 .49 .04
	K4 0 0 .437 .28 .01
	Na5 0 0 .5 .4 .08
	Si1 .0004 .2347 .0678 .637 .012
	Al1 .0004 .2347 .0678 .363 .012
	Si2 .2422 0 .5 .797 .006
	Al2 .2422 0 .5 .203 .006
	O1 .028 .348 .1085 .043
	O2 .0976 -.0975 .078 .041
	O3 .1281 -.1281 -.086 .033
	O4 .273 0 0 .029
	O5 .2196 -.2196 .1743 .014
	Wat1 .152 .076 .201 .042
	Wat2 .119 .239 .285 .08
	Wat3 .156 .078 .354 .07
	Wat4 .219 .438 .286 .13 .01
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	Levyne-Ca
	Gatta G D, Comodi P, Zanazzi P F, Ballaran T B
	American Mineralogist 90 (2005) 645-652
	Anomalous elastic behavior and high-pressure structural evolution of zeolite levyne
	Locality: Beech Creek, Grant County, Oregon
	P = 3.0 GPa
	_database_code_amcsd 0003752
	13.000 13.000 22.676 90 90 120 R-3m
	atom x y z occ Uiso
	Ca1 0 0 .134 .64 .027
	Ca2 0 0 .276 .64 .033
	K4 0 0 .422 .28 .01
	Na5 0 0 .5 .5 .04
	Si1 .0005 .2365 .0668 .637 .013
	Al1 .0005 .2365 .0668 .363 .013
	Si2 .2438 0 .5 .797 .008
	Al2 .2438 0 .5 .203 .008
	O1 .024 .346 .1092 .079
	O2 .1004 -.1004 .077 .053
	O3 .1269 -.1269 -.083 .039
	O4 .274 0 0 .038
	O5 .2182 -.2182 .1719 .017
	Wat1 .153 .0763 .202 .021
	Wat2 .118 .237 .291 .048
	Wat3 .158 .079 .355 .07
	Wat4 .228 .456 .267 .12 .02
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	Levyne-Ca
	Gatta G D, Comodi P, Zanazzi P F, Ballaran T B
	American Mineralogist 90 (2005) 645-652
	Anomalous elastic behavior and high-pressure structural evolution of zeolite levyne
	Locality: Beech Creek, Grant County, Oregon
	P = .0001 GPa decompressed
	_database_code_amcsd 0003753
	13.327 13.327 22.861 90 90 120 R-3m
	atom x y z occ Uiso
	Ca1 0 0 .1364 .77 .031
	Ca2 0 0 .2815 .31 .056
	K4 0 0 .444 .25 .066
	Na5 0 0 .5 .1 .01
	Si1 -.0003 .2335 .06896 .637 .0160
	Al1 -.0003 .2335 .06896 .363 .0160
	Si2 .2399 0 .5 .797 .0145
	Al2 .2399 0 .5 .203 .0145
	O1 .0334 .3500 .1080 .035
	O2 .0925 -.0925 .0816 .032
	O3 .1285 -.1285 -.0899 .035
	O4 .2687 0 0 .034
	O5 .2219 -.2219 .1783 .034
	Wat1 .1528 .0764 .2093 .060
	Wat2 .1207 .241 .2866 .133
	Wat3 .156 .078 .3523 .142
	Wat4 .210 .420 .2871 .24 .028
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	Mg3Si4O10(OH)2*H2O
	Comodi P, Fumagalli P, Nazzareni S, Zanazzi P F
	American Mineralogist 90 (2005) 1012-1016
	The 10 A phase: Crystal structure from single-crystal X-ray data
	_database_code_amcsd 0003790
	5.323 9.203 10.216 90 99.98 90 C2/m
	atom x y z Uiso
	Mg1 0 .5 .5 .018
	Mg2 0 .8335 .5 .020
	Si .5768 .1666 .2305 .018
	O1 .8089 .2487 .1751 .022
	O2 .5571 0 .1755 .021
	O3 .6291 .1674 .3901 .015
	OH4 .1325 0 .3947 .016
	Wat5 0 0 0 .099
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	Clinochlore
	Zanazzi P F, Montagnoli M, Nazzareni S, Comodi P
	American Mineralogist 91 (2006) 1871-1878
	Structural effects of pressure on chlorite: A single-crystal study
	Locality: Alpe Reguzzolo, Val Malenco, Italy
	Sample: P = .0001 GPa
	_database_code_amcsd 0004250
	5.327 9.233 14.381 90.2 97.2 89.97 C-1
	atom x y z occ Uiso
	MgM1 0 0 0 .9 .0069
	FeM1 0 0 0 .1 .0069
	MgM2 .0009 .33362 0 .9 .0070
	FeM2 .0009 .33362 0 .1 .0070
	MgM3 -.0002 .16677 .5 .9 .0073
	FeM3 -.0002 .16677 .5 .1 .0073
	AlM4 0 .5 .5 .0067
	Si1 .23108 .16723 .19144 .79 .0069
	Al1 .23108 .16723 .19144 .21 .0069
	Si2 .73088 .00056 .19143 .79 .0068
	Al2 .73088 .00056 .19143 .21 .0068
	O1 .1925 .1669 .07681 .0081
	O2 .6923 .0003 .07686 .0084
	O3 .2141 .3339 .23258 .0157
	O4 .5102 .0994 .23276 .0156
	O5 .0103 .0686 .23257 .0157
	Oh1 .6913 .3335 .07334 .0098
	Oh2 .1465 -.0003 .43043 .0155
	Oh3 .1418 .3345 .43035 .0157
	Oh4 .6419 .1651 .43078 .0144
	H1 .703 .337 .132 .054
	H2 .122 .001 .374 .054
	H3 .121 .334 .375 .054
	H4 .607 .156 .377 .054
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	Clinochlore
	Zanazzi P F, Montagnoli M, Nazzareni S, Comodi P
	American Mineralogist 91 (2006) 1871-1878
	Structural effects of pressure on chlorite: A single-crystal study
	Locality: Alpe Reguzzolo, Val Malenco, Italy
	Sample: P = 1.83 GPa
	_database_code_amcsd 0004251
	5.298 9.183 14.23 90.22 97.21 89.95 C-1
	atom x y z occ Uiso
	MgM1 0 0 0 .9 .0045
	FeM1 0 0 0 .1 .0045
	MgM2 .0010 .3335 -.0010 .9 .0044
	FeM2 .0010 .3335 -.0010 .1 .0044
	MgM3 -.0006 .1667 1/2 .9 .0037
	FeM3 -.0006 .1667 1/2 .1 .0037
	AlM4 0 .5 .5 .0031
	Si1 .2310 .1670 .1915 .79 .0053
	Al1 .2310 .1670 .1915 .21 .0053
	Si2 .7311 .0005 .1931 .79 .0060
	Al2 .7311 .0005 .1931 .21 .0060
	O1 .1905 .1667 .077 .003
	O2 .6935 .0005 .076 .006
	O3 .2084 .3336 .233 .014
	O4 .5137 .1028 .234 .016
	O5 .0131 .0656 .232 .016
	OH1 .6905 .3331 .077 .006
	OH2 .1450 -.0001 .427 .015
	OH3 .141 .3344 .428 .016
	OH4 .6409 .1649 .428 .012
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	Clinochlore
	Zanazzi P F, Montagnoli M, Nazzareni S, Comodi P
	American Mineralogist 91 (2006) 1871-1878
	Structural effects of pressure on chlorite: A single-crystal study
	Locality: Alpe Reguzzolo, Val Malenco, Italy
	Sample: P = 3.14 GPa
	_database_code_amcsd 0004252
	5.280 9.147 14.15 90.20 97.20 89.92 C-1
	atom x y z occ Uiso
	MgM1 0 0 0 .9 .0033
	FeM1 0 0 0 .1 .0033
	MgM2 0 .3336 -.0003 .9 .0033
	FeM2 0 .3336 -.0003 .1 .0033
	MgM3 -.0003 .1665 1/2 .9 .0031
	FeM3 -.0003 .1665 1/2 .1 .0031
	AlM4 0 .5 .5 .0024
	Si1 .2313 .1673 .1922 .79 .0045
	Al1 .2313 .1673 .1922 .21 .0045
	Si2 .7321 .0008 .1927 .79 .0044
	Al2 .7321 .0008 .1927 .21 .0044
	O1 .1908 .1667 .078 .004
	O2 .6921 .0009 .078 .003
	O3 .206 .3344 .235 .014
	O4 .5148 .1042 .234 .014
	O5 .0132 .0638 .236 .014
	OH1 .6921 .3331 .078 .005
	OH2 .1475 -.0007 .426 .012
	OH3 .140 .3349 .425 .014
	OH4 .6408 .1649 .426 .010
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	Clinochlore
	Zanazzi P F, Montagnoli M, Nazzareni S, Comodi P
	American Mineralogist 91 (2006) 1871-1878
	Structural effects of pressure on chlorite: A single-crystal study
	Locality: Alpe Reguzzolo, Val Malenco, Italy
	Sample: P = 4.25 GPa
	_database_code_amcsd 0004253
	5.2618 9.114 14.106 90.12 97.20 89.97 C-1
	atom x y z occ Uiso
	MgM1 0 0 0 .9 .005
	FeM1 0 0 0 .1 .005
	MgM2 0 .3329 -.0005 .9 .0062
	FeM2 0 .3329 -.0005 .1 .0062
	MgM3 -.0015 .1671 .4994 .9 .006
	FeM3 -.0015 .1671 .4994 .1 .006
	AlM4 0 .5 .5 .006
	Si1 .2300 .1673 .191 .79 .006
	Al1 .2300 .1673 .191 .21 .006
	Si2 .7304 .0005 .191 .79 .007
	Al2 .7304 .0005 .191 .21 .007
	O1 .192 .1661 .079 .012
	O2 .694 .0012 .080 .012
	O3 .200 .3339 .238 .015
	O4 .521 .1066 .238 .018
	O5 .019 .0620 .238 .016
	OH1 .697 .3323 .082 .006
	OH2 .143 -.0014 .424 .012
	OH3 .137 .3346 .422 .012
	OH4 .641 .1654 .422 .009
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	Clinochlore
	Zanazzi P F, Montagnoli M, Nazzareni S, Comodi P
	American Mineralogist 91 (2006) 1871-1878
	Structural effects of pressure on chlorite: A single-crystal study
	Locality: Alpe Reguzzolo, Val Malenco, Italy
	Sample: P = 4.85 GPa
	_database_code_amcsd 0004254
	5.252 9.106 14.11 90.1 97.3 89.93 C-1
	atom x y z occ Uiso
	MgM1 0 0 0 .9 .005
	FeM1 0 0 0 .1 .005
	MgM2 0 .3331 -.0003 .9 .0069
	FeM2 0 .3331 -.0003 .1 .0069
	MgM3 -.0005 .1671 .4995 .9 .0048
	FeM3 -.0005 .1671 .4995 .1 .0048
	AlM4 0 .5 .5 .004
	Si1 .2312 .1677 .191 .006
	Al1 .2312 .1677 .191 .006
	Si2 .7312 .0007 .191 .009
	Al2 .7312 .0007 .191 .009
	O1 .189 .1665 .077 .020
	O2 .695 .0002 .082 .015
	O3 .200 .3339 .235 .020
	O4 .522 .1071 .239 .018
	O5 .021 .0620 .240 .017
	OH1 .700 .3327 .087 .006
	OH2 .142 -.0005 .418 .015
	OH3 .139 .3338 .420 .016
	OH4 .641 .1661 .421 .010
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	Chlorite
	Zanazzi P F, Montagnoli M, Nazzareni S, Comodi P
	American Mineralogist 92 (2007) 655-661
	Structural effects of pressure on monoclinic chlorite: a single-crystal study
	Locality: Alpe Raguzzolo, Val Malenco, Italy
	Sample: P = 0.0001 GPa
	_database_code_amcsd 0004284
	5.3363 9.240 14.37 90 96.93 90 C2/m
	atom x y z occ Uiso
	MgM1 0 0 0 .764 .0073
	FeM1 0 0 0 .085 .0073
	AlM1 0 0 0 .151 .0073
	MgM2 0 .33269 0 .764 .0074
	FeM2 0 .33269 0 .085 .0074
	AlM2 0 .33269 0 .151 .0074
	MgM3 0 .16654 .5 .764 .0076
	FeM3 0 .16654 .5 .085 .0076
	AlM3 0 .16654 .5 .151 .0076
	MgM4 0 .5 .5 .764 .0064
	FeM4 0 .5 .5 .085 .0064
	AlM4 0 .5 .5 .151 .0064
	SiT .22844 .16673 .19152 .794 .0074
	AlT .22844 .16673 .19152 .206 .0074
	O1 .1914 .1666 .07678 .0087
	O2 .2100 0 .2328 .0163
	O3 .5070 .2344 .2327 .0161
	OH1 .1901 .5 .0734 .0099
	OH2 .1517 0 .4307 .0151
	OH3 .1407 .3368 .4304 .0160
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	Chlorite
	Zanazzi P F, Montagnoli M, Nazzareni S, Comodi P
	American Mineralogist 92 (2007) 655-661
	Structural effects of pressure on monoclinic chlorite: a single-crystal study
	Locality: Alpe Raguzzolo, Val Malenco, Italy
	Sample: P = 0.77 GPa
	_database_code_amcsd 0004285
	5.327 9.227 14.23 90 96.9 90 C2/m
	atom x y z occ Uiso
	MgM1 0 0 0 .764 .006
	FeM1 0 0 0 .085 .006
	AlM1 0 0 0 .151 .006
	MgM2 0 .3326 0 .764 .007
	FeM2 0 .3326 0 .085 .007
	AlM2 0 .3326 0 .151 .007
	MgM3 0 .1674 .5 .764 .006
	FeM3 0 .1674 .5 .085 .006
	AlM3 0 .1674 .5 .151 .006
	MgM4 0 .5 .5 .764 .006
	FeM4 0 .5 .5 .085 .006
	AlM4 0 .5 .5 .151 .006
	SiT .2297 .1667 .1933 .794 .010
	AlT .2297 .1667 .1933 .206 .010
	O1 .192 .1668 .078 .006
	O2 .209 0 .233 .014
	O3 .5077 .2339 .234 .015
	OH1 .192 .5 .072 .011
	OH2 .152 0 .425 .013
	OH3 .141 .3368 .427 .015
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	Chlorite
	Zanazzi P F, Montagnoli M, Nazzareni S, Comodi P
	American Mineralogist 92 (2007) 655-661
	Structural effects of pressure on monoclinic chlorite: a single-crystal study
	Locality: Alpe Raguzzolo, Val Malenco, Italy
	Sample: P = 1.52 GPa
	_database_code_amcsd 0004286
	5.304 9.190 14.20 90 96.9 90 C2/m
	atom x y z occ Uiso
	MgM1 0 0 0 .764 .008
	FeM1 0 0 0 .085 .008
	AlM1 0 0 0 .151 .008
	MgM2 0 .3328 0 .764 .007
	FeM2 0 .3328 0 .085 .007
	AlM2 0 .3328 0 .151 .007
	MgM3 0 .1677 .5 .764 .004
	FeM3 0 .1677 .5 .085 .004
	AlM3 0 .1677 .5 .151 .004
	MgM4 0 .5 .5 .764 .005
	FeM4 0 .5 .5 .085 .005
	AlM4 0 .5 .5 .151 .005
	SiT .2286 .1664 .1909 .794 .005
	AlT .2286 .1664 .1909 .206 .005
	O1 .190 .1671 .072 .011
	O2 .207 0 .234 .020
	O3 .509 .2327 .233 .017
	OH1 .189 .5 .072 .008
	OH2 .151 0 .425 .012
	OH3 .141 .3364 .425 .013
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	Chlorite
	Zanazzi P F, Montagnoli M, Nazzareni S, Comodi P
	American Mineralogist 92 (2007) 655-661
	Structural effects of pressure on monoclinic chlorite: a single-crystal study
	Locality: Alpe Raguzzolo, Val Malenco, Italy
	Sample: P = 2.28 GPa
	_database_code_amcsd 0004287
	5.293 9.168 14.19 90 96.79 90 C2/m
	atom x y z occ Uiso
	MgM1 0 0 0 .764 .006
	FeM1 0 0 0 .085 .006
	AlM1 0 0 0 .151 .006
	MgM2 0 .3333 0 .764 .005
	FeM2 0 .3333 0 .085 .005
	AlM2 0 .3333 0 .151 .005
	MgM3 0 .1669 .5 .764 .005
	FeM3 0 .1669 .5 .085 .005
	AlM3 0 .1669 .5 .151 .005
	MgM4 0 .5 .5 .764 .005
	FeM4 0 .5 .5 .085 .005
	AlM4 0 .5 .5 .151 .005
	SiT .2284 .1665 .1907 .794 .007
	AlT .2284 .1665 .1907 .206 .007
	O1 .191 .1671 .075 .009
	O2 .204 0 .233 .014
	O3 .511 .2321 .235 .015
	OH1 .188 .5 .073 .009
	OH2 .150 0 .425 .013
	OH3 .142 .3358 .426 .014
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	Chlorite
	Zanazzi P F, Montagnoli M, Nazzareni S, Comodi P
	American Mineralogist 92 (2007) 655-661
	Structural effects of pressure on monoclinic chlorite: a single-crystal study
	Locality: Alpe Raguzzolo, Val Malenco, Italy
	Sample: P = 3.66 GPa
	_database_code_amcsd 0004288
	5.270 9.132 14.11 90 96.77 90 C2/m
	atom x y z occ Uiso
	MgM1 0 0 0 .764 .005
	FeM1 0 0 0 .085 .005
	AlM1 0 0 0 .151 .005
	MgM2 0 .3335 0 .764 .006
	FeM2 0 .3335 0 .085 .006
	AlM2 0 .3335 0 .151 .006
	MgM3 0 .1667 .5 .764 .005
	FeM3 0 .1667 .5 .085 .005
	AlM3 0 .1667 .5 .151 .005
	MgM4 0 .5 .5 .764 .005
	FeM4 0 .5 .5 .085 .005
	AlM4 0 .5 .5 .151 .005
	SiT .2285 .1663 .1921 .794 .007
	AlT .2285 .1663 .1921 .206 .007
	O1 .192 .1672 .076 .008
	O2 .199 0 .233 .011
	O3 .514 .2290 .237 .019
	OH1 .190 .5 .075 .008
	OH2 .150 0 .425 .010
	OH3 .142 .3364 .425 .013
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	Chlorite
	Zanazzi P F, Montagnoli M, Nazzareni S, Comodi P
	American Mineralogist 92 (2007) 655-661
	Structural effects of pressure on monoclinic chlorite: a single-crystal study
	Locality: Alpe Raguzzolo, Val Malenco, Italy
	Sample: P = 4.52 GPa
	_database_code_amcsd 0004289
	5.252 9.103 14.08 90 96.71 90 C2/m
	atom x y z occ Uiso
	MgM1 0 0 0 .764 .006
	FeM1 0 0 0 .085 .006
	AlM1 0 0 0 .151 .006
	MgM2 0 .3334 0 .764 .006
	FeM2 0 .3334 0 .085 .006
	AlM2 0 .3334 0 .151 .006
	MgM3 0 .1672 .5 .764 .005
	FeM3 0 .1672 .5 .085 .005
	AlM3 0 .1672 .5 .151 .005
	MgM4 0 .5 .5 .764 .005
	FeM4 0 .5 .5 .085 .005
	AlM4 0 .5 .5 .151 .005
	SiT .2278 .1666 .1913 .794 .007
	AlT .2278 .1666 .1913 .206 .007
	O1 .192 .1675 .074 .008
	O2 .196 0 .231 .014
	O3 .514 .2283 .236 .018
	OH1 .189 .5 .075 .010
	OH2 .149 0 .423 .013
	OH3 .142 .3361 .426 .012
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	Chlorite
	Zanazzi P F, Montagnoli M, Nazzareni S, Comodi P
	American Mineralogist 92 (2007) 655-661
	Structural effects of pressure on monoclinic chlorite: a single-crystal study
	Locality: Alpe Raguzzolo, Val Malenco, Italy
	Sample: P = 5.47 GPa
	_database_code_amcsd 0004290
	5.237 9.078 14.00 90 96.64 90 C2/m
	atom x y z occ Uiso
	MgM1 0 0 0 .764 .008
	FeM1 0 0 0 .085 .008
	AlM1 0 0 0 .151 .008
	MgM2 0 .3336 0 .764 .008
	FeM2 0 .3336 0 .085 .008
	AlM2 0 .3336 0 .151 .008
	MgM3 0 .1659 .5 .764 .004
	FeM3 0 .1659 .5 .085 .004
	AlM3 0 .1659 .5 .151 .004
	MgM4 0 .5 .5 .764 .007
	FeM4 0 .5 .5 .085 .007
	AlM4 0 .5 .5 .151 .007
	SiT .229 .1670 .190 .794 .004
	AlT .229 .1670 .190 .206 .004
	O1 .186 .167 .071 .007
	O2 .198 0 .237 .014
	O3 .514 .225 .235 .020
	OH1 .192 .5 .077 .008
	OH2 .150 0 .423 .022
	OH3 .140 .338 .421 .014
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	Phlogopite
	Nazzareni S, Comodi P, Bindi L, Safonov O G, Litvin Y A, Perchuk L L
	American Mineralogist 93 (2008) 1429-1436
	Synthetic hypersilicic Cl-bearing mica in the phlogopite-celadonite join:
	a mulitmethodical characterization of the missing link between di- and tri-
	octahedral micas at high pressures
	Locality: synthetic
	_database_code_amcsd 0004636
	5.299 9.167 10.226 90 100.06 90 C2/m
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	K 0 0 0 .0404 .0370 .0363 .0484 0 .0087 0
	Si .5762 .1670 .2287 .875 .0103 .0102 .0069 .0138 -.0001 .0018 -.0007
	Al .5762 .1670 .2287 .125 .0103 .0102 .0069 .0138 -.0001 .0018 -.0007
	MgM1 0 .5 .5 .852 .0080 .008 .0055 .0103 0 .0019 0
	MgM2 0 .8320 .5 .935 .0145 .0164 .0102 .0175 0 .0048 0
	O1 .8119 .2435 .1678 .0188
	O2 .5428 0 .1685 .0166
	O3 .6301 .1674 .3893 .0105
	O4 .1328 0 .4002 .804 .0137
	Cl .118 0 .3496 .196 .048
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	Gypsum
	Comodi P, Nazzareni S, Zanazzi P F, Speziale S
	American Mineralogist 93 (2008) 1530-1537
	High-pressure behavior of gypsum: A single-crystal X-ray study
	Locality: Valle di Caramanico, Abruzzo, Italy
	Note: P = 0.0001 GPa
	_database_code_amcsd 0004651
	6.277 15.181 5.672 90 114.11 90 C2/c
	atom x y z Uiso
	Ca 0 .17050 .25 .0117
	S 0 .32727 .75 .0099
	O1 .08319 .27218 .59103 .0169
	O2 .19997 .38195 .91298 .0169
	OW -.20823 .06826 -.07831 .0241
	H1 -.258 .087 -.234 .033
	H2 -.244 .020 -.077 .044
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	Gypsum
	Comodi P, Nazzareni S, Zanazzi P F, Speziale S
	American Mineralogist 93 (2008) 1530-1537
	High-pressure behavior of gypsum: A single-crystal X-ray study
	Locality: Valle di Caramanico, Abruzzo, Italy
	Note: P = 0.25 GPa
	_database_code_amcsd 0004652
	6.282 15.175 5.673 90 114.13 90 C2/c
	atom x y z Uiso
	Ca 0 .1697 .25 .009
	S 0 .3285 .75 .007
	O1 .084 .272 .592 .012
	O2 .200 .383 .914 .013
	WatOW -.211 .066 -.081 .020
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	Gypsum
	Comodi P, Nazzareni S, Zanazzi P F, Speziale S
	American Mineralogist 93 (2008) 1530-1537
	High-pressure behavior of gypsum: A single-crystal X-ray study
	Locality: Valle di Caramanico, Abruzzo, Italy
	Note: P = 0.33 GPa
	_database_code_amcsd 0004653
	6.269 15.140 5.665 90 114.10 90 C2/c
	atom x y z Uiso
	Ca 0 .1709 .25 .011
	S 0 .3267 .75 .008
	O1 .085 .273 .591 .010
	O2 .200 .383 .916 .011
	WatOW -.209 .066 -.082 .026
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	Gypsum
	Comodi P, Nazzareni S, Zanazzi P F, Speziale S
	American Mineralogist 93 (2008) 1530-1537
	High-pressure behavior of gypsum: A single-crystal X-ray study
	Locality: Valle di Caramanico, Abruzzo, Italy
	Note: P = 0.56 GPa
	_database_code_amcsd 0004654
	6.263 15.163 5.662 90 114.24 90 C2/c
	atom x y z Uiso
	Ca 0 .1711 .25 .009
	S 0 .3288 .75 .006
	O1 .082 .276 .591 .010
	O2 .203 .387 .917 .012
	WatOW -.213 .069 -.082 .023
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	Gypsum
	Comodi P, Nazzareni S, Zanazzi P F, Speziale S
	American Mineralogist 93 (2008) 1530-1537
	High-pressure behavior of gypsum: A single-crystal X-ray study
	Locality: Valle di Caramanico, Abruzzo, Italy
	Note: P = 1.01 GPa
	_database_code_amcsd 0004655
	6.241 15.130 5.645 90 114.42 90 C2/c
	atom x y z Uiso
	Ca 0 .1696 .25 .010
	S 0 .3268 .75 .008
	O1 .084 .272 .590 .009
	O2 .200 .382 .915 .012
	WatOW -.213 .063 -.080 .020
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	Gypsum
	Comodi P, Nazzareni S, Zanazzi P F, Speziale S
	American Mineralogist 93 (2008) 1530-1537
	High-pressure behavior of gypsum: A single-crystal X-ray study
	Locality: Valle di Caramanico, Abruzzo, Italy
	Note: P = 2.03 GPa
	_database_code_amcsd 0004656
	6.200 15.010 5.610 90 114.86 90 C2/c
	atom x y z Uiso
	Ca 0 .1690 .25 .010
	S 0 .3270 .75 .008
	O1 .082 .271 .591 .014
	O2 .201 .384 .918 .012
	WatOW -.217 .064 -.079 .013
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	Gypsum
	Comodi P, Nazzareni S, Zanazzi P F, Speziale S
	American Mineralogist 93 (2008) 1530-1537
	High-pressure behavior of gypsum: A single-crystal X-ray study
	Locality: Valle di Caramanico, Abruzzo, Italy
	Note: P = 3.15 GPa
	_database_code_amcsd 0004657
	6.162 14.965 5.580 90 115.38 90 C2/c
	atom x y z Uiso
	Ca 0 .1679 .25 .010
	S 0 .3266 .75 .008
	O1 .088 .270 .590 .012
	O2 .205 .386 .920 .010
	WatOW -.222 .062 -.078 .018
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	Gypsum
	Comodi P, Nazzareni S, Zanazzi P F, Speziale S
	American Mineralogist 93 (2008) 1530-1537
	High-pressure behavior of gypsum: A single-crystal X-ray study
	Locality: Valle di Caramanico, Abruzzo, Italy
	Note: P = 3.94 GPa
	_database_code_amcsd 0004658
	6.136 14.912 5.556 90 115.73 90 C2/c
	atom x y z Uiso
	Ca 0 .1672 .25 .009
	S 0 .3255 .75 .005
	O1 .084 .272 .589 .011
	O2 .208 .384 .925 .013
	WatOW -.226 .063 -.078 .015
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	Pyroxmangite
	Zanazzi P F, Nestola F, Nazzareni S, Comodi P
	American Mineralogist 93 (2008) 1921-1928
	Pyroxmangite: A high pressure single-crystal study
	Locality: Yokone-Yama, Awano Town, Tochigi Prefecture, Japan
	Note: Pressure = 0.0001 GPa
	_database_code_amcsd 0004770
	9.663 10.457 17.360 112.28 103.13 82.88 C-1
	atom x y z occ Uiso
	MnM1 -.00048 .04202 .10506 .985 .0081
	FeM1 -.00048 .04202 .10506 .015 .0081
	MnM2 -.00031 .166454 .31180 .899 .0084
	MgM2 -.00031 .166454 .31180 .101 .0084
	MnM3 .00061 .06715 .60493 .917 .0078
	MgM3 .00061 .06715 .60493 .083 .0078
	MnM4 .01422 .17658 .80618 .932 .0082
	MgM4 .01422 .17658 .80618 .068 .0082
	MnM5 .00392 .27124 .51005 .942 .0112
	MgM5 .00392 .27124 .51005 .058 .0112
	MnM6 .06199 .26317 .01728 .807 .0133
	MgM6 .06199 .26317 .01728 .193 .0133
	MnM7 -.00696 .37071 .21006 .923 .0115
	MgM7 -.00696 .37071 .21006 .077 .0115
	Si1 .20201 .44251 .93515 .0071
	Si2 .20987 .33236 .75112 .0063
	Si3 .21097 .53298 .66185 .0066
	Si4 .20778 .42495 .46847 .0066
	Si5 .21065 .63179 .38004 .0064
	Si6 .20935 .52897 .18891 .0067
	Si7 .20369 .71058 .08906 .0068
	O1 .1283 .0728 .0287 .0096
	O2 .1187 .1861 .2267 .0090
	O3 .1179 .9633 .3112 .0091
	O4 .1214 .0896 .5196 .0092
	O5 .1184 .8721 .6057 .0090
	O6 .1209 .9872 .8062 .0091
	O7 .1289 .7800 .8977 .0096
	O8 .0986 .8443 .0938 .0099
	O9 .1284 .3106 .9294 .0125
	O10 .1247 .1962 .7227 .0096
	O11 .1220 .6651 .7117 .0153
	O12 .1228 .2856 .4254 .0136
	O13 .1301 .7758 .4216 .0126
	O14 .1217 .3948 .1318 .0119
	O15 .1654 .4502 .8390 .0097
	O16 .1589 .4032 .6793 .0134
	O17 .1585 .4978 .5604 .0139
	O18 .1499 .5308 .4172 .0128
	O19 .1533 .5672 .2775 .0116
	O20 .1562 .6614 .1592 .0097
	O21 .1429 .5912 .9966 .0101
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	Pyroxmangite
	Zanazzi P F, Nestola F, Nazzareni S, Comodi P
	American Mineralogist 93 (2008) 1921-1928
	Pyroxmangite: A high pressure single-crystal study
	Locality: Yokone-Yama, Awano Town, Tochigi Prefecture, Japan
	Pressure = 1.24 GPa
	_database_code_amcsd 0004771
	9.62 10.41 17.29 112.0 103.4 83.0 C-1
	atom x y z occ Uiso
	MnM1 -.0006 .0425 .1053 .985 .0097
	FeM1 -.0006 .0425 .1053 .015 .0097
	MnM2 -.0003 .1667 .3118 .899 .0106
	MgM2 -.0003 .1667 .3118 .101 .0106
	MnM3 -.0011 .0664 .6048 .917 .0115
	MgM3 -.0011 .0664 .6048 .083 .0115
	MnM4 .0129 .1771 .8062 .932 .0122
	MgM4 .0129 .1771 .8062 .068 .0122
	MnM5 .0045 .2726 .5113 .942 .0169
	MgM5 .0045 .2726 .5113 .058 .0169
	MnM6 .0624 .2613 .0161 .807 .0112
	MgM6 .0624 .2613 .0161 .193 .0112
	MnM7 -.0060 .3733 .2110 .923 .0155
	MgM7 -.0060 .3733 .2110 .077 .0155
	Si1 .1996 .4431 .9357 .011
	Si2 .2078 .3331 .7515 .010
	Si3 .2118 .5315 .6613 .009
	Si4 .2072 .4256 .4693 .012
	Si5 .2110 .6321 .3800 .008
	Si6 .2097 .5293 .1892 .013
	Si7 .2043 .7119 .0891 .009
	O1 .132 .070 .027 .012
	O2 .118 .188 .227 .014
	O3 .121 .964 .311 .003
	O4 .123 .088 .519 .012
	O5 .121 .872 .607 .018
	O6 .121 .987 .806 .010
	O7 .132 .778 .899 .014
	O8 .098 .847 .094 .014
	O9 .131 .309 .927 .015
	O10 .122 .194 .724 .014
	O11 .119 .665 .713 .022
	O12 .121 .286 .427 .019
	O13 .135 .775 .421 .013
	O14 .120 .392 .133 .013
	O15 .162 .451 .838 .012
	O16 .156 .401 .679 .010
	O17 .157 .500 .562 .019
	O18 .148 .529 .416 .011
	O19 .152 .569 .275 .011
	O20 .159 .662 .158 .016
	O21 .140 .592 .996 .006
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	Pyroxmangite
	Zanazzi P F, Nestola F, Nazzareni S, Comodi P
	American Mineralogist 93 (2008) 1921-1928
	Pyroxmangite: A high pressure single-crystal study
	Locality: Yokone-Yama, Awano Town, Tochigi Prefecture, Japan
	Pressure = 3.57 GPa
	_database_code_amcsd 0004772
	9.57 10.32 17.16 112.1 103.2 82.9 C-1
	atom x y z occ Uiso
	MnM1 .0010 .0447 .1060 .985 .0080
	FeM1 .0010 .0447 .1060 .015 .0080
	MnM2 .0020 .1664 .3117 .899 .0089
	MgM2 .0020 .1664 .3117 .101 .0089
	MnM3 -.0016 .0643 .6040 .917 .0088
	MgM3 -.0016 .0643 .6040 .083 .0088
	MnM4 .0104 .1766 .8057 .932 .0103
	MgM4 .0104 .1766 .8057 .068 .0103
	MnM5 .0056 .2741 .5122 .942 .0134
	MgM5 .0056 .2741 .5122 .058 .0134
	MnM6 .0647 .2612 .0159 .807 .0131
	MgM6 .0647 .2612 .0159 .193 .0131
	MnM7 -.0047 .3747 .2109 .923 .0134
	MgM7 -.0047 .3747 .2109 .077 .0134
	Si1 .1981 .4430 .9341 .009
	Si2 .2078 .3295 .7494 .007
	Si3 .2077 .5332 .6613 .007
	Si4 .2063 .4246 .4677 .009
	Si5 .2102 .6355 .3806 .007
	Si6 .2119 .5301 .1893 .011
	Si7 .2058 .7132 .0884 .009
	O1 .129 .071 .0275 .005
	O2 .122 .187 .2264 .010
	O3 .122 .963 .3107 .010
	O4 .117 .088 .5173 .015
	O5 .118 .873 .6051 .015
	O6 .118 .988 .8066 .013
	O7 .124 .777 .9003 .012
	O8 .103 .850 .0934 .009
	O9 .126 .309 .9279 .020
	O10 .123 .192 .7215 .013
	O11 .114 .666 .7130 .014
	O12 .124 .285 .4273 .011
	O13 .133 .779 .4221 .015
	O14 .126 .393 .1313 .010
	O15 .162 .451 .8370 .012
	O16 .153 .400 .6750 .014
	O17 .152 .503 .5604 .012
	O18 .144 .526 .4121 .014
	O19 .151 .572 .2761 .009
	O20 .161 .665 .1598 .015
	O21 .141 .596 .9966 .010
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	Tremolite
	Comodi P, Mellini M, Ungaretti L, Zanazzi P F
	European Journal of Mineralogy 3 (1991) 485-499
	Compressibility and high pressure structure refinement
	of tremolite, pargasite and glaucophane
	Sample: pressure at ambient conditions (.001 kbar)
	_database_code_amcsd 0006413
	9.840 18.042 5.276 90 104.76 90 C2/m
	atom x y z occ Uiso
	MgM1 0 .0877 1/2 .99 .0059
	FeM1 0 .0877 1/2 .01 .0059
	MgM2 0 .1764 0 .99 .0082
	FeM2 0 .1764 0 .01 .0082
	MgM3 0 0 0 .99 .0055
	FeM3 0 0 0 .01 .0055
	CaM4 0 .2779 1/2 .5 .0079
	CaM42 .0409 .2778 .5648 .25 .0100
	SiT1 .2802 .0840 .2968 .0041
	SiT2 .2883 .1712 .8049 .0043
	O1 .1118 .0860 .2180 .0058
	O2 .1189 .1711 .7249 .0059
	O3 .1086 0 .7161 .0077
	O4 .3651 .2480 .7919 .0077
	O5 .3463 .1347 .1005 .0077
	O6 .3439 .1185 .5894 .0071
	O7 .3372 0 .2918 .0082
	H .181 0 .740 .022
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	Tremolite
	Comodi P, Mellini M, Ungaretti L, Zanazzi P F
	European Journal of Mineralogy 3 (1991) 485-499
	Compressibility and high pressure structure refinement
	of tremolite, pargasite and glaucophane
	Sample: pressure at 35 kbar
	_database_code_amcsd 0006414
	9.640 17.890 5.228 90 105.1 90 C2/m
	atom x y z occ Uiso
	MgM1 0 .0870 1/2 .99 .0059
	FeM1 0 .0870 1/2 .01 .0059
	MgM2 0 .1747 0 .99 .0100
	FeM2 0 .1747 0 .01 .0100
	MgM3 0 0 0 .99 .0064
	FeM3 0 0 0 .01 .0064
	CaM4 0 .2768 1/2 .0044
	SiT1 .2858 .0840 .3005 .0033
	SiT2 .2890 .1716 .8065 .0054
	O1 .1145 .0851 .2170 .0036
	O2 .1163 .1700 .7269 .0042
	OH3 .1110 0 .7152 .0047
	O4 .3643 .2503 .7897 .0054
	O5 .3506 .1367 .1058 .0062
	O6 .3472 .1172 .5947 .0050
	O7 .3460 0 .2909 .0059
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	Glaucophane
	Comodi P, Mellini M, Ungaretti L, Zanazzi P F
	European Journal of Mineralogy 3 (1991) 485-499
	Compressibility and high pressure structure refinement
	of tremolite, pargasite and glaucophane
	Sample: pressure at ambient conditions (.001 kbar)
	_database_code_amcsd 0006415
	9.531 17.759 5.303 90 103.59 90 C2/m
	atom x y z occ Uiso
	MgM1 0 .0910 1/2 .72 .0084
	FeM1 0 .0910 1/2 .28 .0084
	AlM2 0 .1809 0 .80 .0069
	FeM2 0 .1809 0 .20 .0069
	MgM3 0 0 0 .54 .0075
	FeM3 0 0 0 .46 .0075
	NaM4 0 .2768 1/2 .99 .0160
	LiM4 0 .2768 1/2 .01 .0160
	SiT1 .2835 .0873 .2922 .0057
	SiT2 .2927 .1730 .8073 .0059
	O1 .1088 .0933 .2035 .0086
	O2 .1176 .1723 .7466 .0081
	O3 .1121 0 .7067 .0098
	O4 .3692 .2527 .8042 .0098
	O5 .3552 .1319 .0879 .0102
	O6 .3408 .1226 .5799 .0101
	O7 .3321 0 .2993 .0107
	H .220 0 .769 .0001
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	Glaucophane
	Comodi P, Mellini M, Ungaretti L, Zanazzi P F
	European Journal of Mineralogy 3 (1991) 485-499
	Compressibility and high pressure structure refinement
	of tremolite, pargasite and glaucophane
	Sample: pressure at 20 kbar
	_database_code_amcsd 0006416
	9.422 17.662 5.274 90 103.9 90 C2/m
	atom x y z occ Uiso
	MgM1 0 .0911 1/2 .72 .0222
	FeM1 0 .0911 1/2 .28 .0222
	AlM2 0 .1801 0 .80 .0002
	FeM2 0 .1801 0 .20 .0002
	MgM3 0 0 0 .54 .0002
	FeM3 0 0 0 .46 .0002
	NaM4 0 .2775 1/2 .99 .0180
	LiM4 0 .2775 1/2 .01 .0180
	SiT1 .2850 .0861 .2935 .0040
	SiT2 .2944 .1730 .8076 .0011
	O1 .1105 .0932 .2006 .0023
	O2 .1167 .1724 .7475 .0001
	OH3 .1092 0 .7035 .0057
	O4 .3673 .2543 .7982 .0041
	O5 .3601 .1324 .0959 .0008
	O6 .3464 .1226 .5851 .0064
	O7 .3382 0 .2947 .0087
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	Glaucophane
	Comodi P, Mellini M, Ungaretti L, Zanazzi P F
	European Journal of Mineralogy 3 (1991) 485-499
	Compressibility and high pressure structure refinement
	of tremolite, pargasite and glaucophane
	Sample: pressure at 37 kbar
	_database_code_amcsd 0006417
	9.349 17.610 5.257 90 103.9 90 C2/m
	atom x y z occ Uiso
	MgM1 0 .0917 1/2 .72 .0242
	FeM1 0 .0917 1/2 .28 .0242
	AlM2 0 .1791 0 .80 -.0038
	FeM2 0 .1791 0 .20 -.0038
	MgM3 0 0 0 .54 -.0025
	FeM3 0 0 0 .46 -.0025
	NaM4 0 .2779 1/2 .99 .0226
	LiM4 0 .2779 1/2 .01 .0226
	SiT1 .2874 .0867 .2933 .0065
	SiT2 .2959 .1725 .8085 .0003
	O1 .1102 .0918 .2015 .0055
	O2 .1176 .1713 .7476 .0125
	OH3 .1111 0 .7008 .0109
	O4 .3689 .2537 .7914 .0039
	O5 .3656 .1335 .0926 .0143
	O6 .3518 .1212 .5874 .0004
	O7 .3457 0 .3036 .0067
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	Pargasite
	Comodi P, Mellini M, Ungaretti L, Zanazzi P F
	European Journal of Mineralogy 3 (1991) 485-499
	Compressibility and high pressure structure refinement
	of tremolite, pargasite and glaucophane
	Sample: pressure at ambient conditions (.001 kbar)
	_database_code_amcsd 0006418
	9.881 17.998 5.284 90 105.25 90 C2/m
	atom x y z occ Uiso
	NaA 0 1/2 0 .26 .040
	NaAM .0460 1/2 .1297 .12 .043
	NaA2 0 .4666 0 .12 .025
	KA2 0 .4666 0 .01 .025
	MgM1 0 .0888 1/2 .945 .0058
	FeM1 0 .0888 1/2 .055 .0058
	MgM2 0 .1761 0 .725 .0045
	AlM2 0 .1761 0 .15 .0045
	CrM2 0 .1761 0 .09 .0045
	TiM2 0 .1761 0 .035 .0045
	MgM3 0 0 0 .92 .0046
	FeM3 0 0 0 .08 .0046
	CaM4 0 .2791 1/2 .49 .0096
	FeM4 0 .2791 1/2 .01 .0096
	CaM42 .4653 .2198 .6168 .25 .045
	SiT1 .2797 .0850 .3022 .655 .0052
	AlT1 .2797 .0850 .3022 .345 .0052
	SiT2 .2899 .1726 .8112 .0056
	O1 .1077 .0873 .2185 .0088
	O2 .1193 .1729 .7306 .0089
	O3 .1077 0 .7152 .0103
	O4 .3664 .2494 .7887 .0102
	O5 .3484 .1390 .1096 .0112
	O6 .3436 .1164 .6064 .0125
	O7 .3382 0 .2795 .0132
	H .175 0 .748 .012
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	Pargasite
	Comodi P, Mellini M, Ungaretti L, Zanazzi P F
	European Journal of Mineralogy 3 (1991) 485-499
	Compressibility and high pressure structure refinement
	of tremolite, pargasite and glaucophane
	Sample: pressure at 35 kbar
	_database_code_amcsd 0006419
	9.733 17.828 5.240 90 105.6 90 C2/m
	atom x y z occ Uiso
	NaA 0 1/2 0 .74 .076
	KA 0 1/2 0 .02 .076
	MgM1 0 .0884 1/2 .945 .0076
	FeM1 0 .0884 1/2 .055 .0076
	MgM2 0 .1749 0 .725 .0081
	AlM2 0 .1749 0 .15 .0081
	CrM2 0 .1749 0 .09 .0081
	TiM2 0 .1749 0 .035 .0081
	MgM3 0 0 0 .92 .0072
	FeM3 0 0 0 .08 .0072
	CaM4 0 .2786 1/2 .099 .0075
	FeM4 0 .2786 1/2 .01 .0075
	SiT1 .2813 .0847 .3058 .655 .0054
	AlT1 .2813 .0847 .3058 .345 .0054
	SiT2 .2859 .1728 .8113 .0049
	O1 .1068 .0869 .2170 .0081
	O2 .1125 .1716 .7314 .0139
	OH3 .1124 0 .7163 .0120
	O4 .3689 .2508 .7860 .0104
	O5 .3544 .1413 .1204 .0129
	O6 .3461 .1151 .6160 .0137
	O7 .3487 0 .2796 .0122
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	Ellenbergerite
	Comodi P, Zanazzi P F
	European Journal of Mineralogy 5 (1993) 819-829
	Structural study of ellenbergerite. Part 1: Effects of high temperature
	Sample: I, T = 20 deg C
	_database_code_amcsd 0006484
	12.2471 12.2471 4.9287 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)
	MgM11 .4273 .3385 0 .0064 .0084 .0076 .0038 -.0002 -.0006
	AlM12 .3503 .4209 .4957 .0085 .0057 .0072 .0041 -.0003 .0009
	MgM2 0 0 .2044 .7 .0068 .0068 .0362 .0034 0 0
	TiM2 0 0 .2044 .3 .0068 .0068 .0362 .0034 0 0
	SiT1 2/3 1/3 .7834 .0049 .0049 .0078 .0024 0 0
	SiT2 .3071 .1484 .4789 .0114 .0065 .0063 .0053 -.0005 -.0002
	O1 .2797 .3433 .1714 .0067 .0111 .0070 .0042 -.0017 -.0012
	O2 .3854 .1771 .1911 .0128 .0103 .0073 .0068 .0027 .0010
	O3 .3558 .2834 .6314 .0115 .0070 .0079 .0051 -.0026 -.0010
	O4 .1531 .0724 .4337 2/3 .0115 .0145 .0155 .0068 -.0043 -.0030
	OH4 .1531 .0724 .4337 1/3 .0115 .0145 .0155 .0068 -.0043 -.0030
	O5 .4742 .5219 .8110 .0087 .0093 .0104 .0049 .0035 -.0001
	O6 .3892 .5807 .3858 .0081 .0093 .0188 .0061 -.0020 .0020
	O7 1/3 2/3 .9512 .0374 .0374 .0060 .0187 0 0
	H1 .449 .554 .930 .0400
	H2 1/3 2/3 .779 .0050
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	Ellenbergerite
	Comodi P, Zanazzi P F
	European Journal of Mineralogy 5 (1993) 819-829
	Structural study of ellenbergerite. Part 1: Effects of high temperature
	Sample: II, T = 20 deg C
	_database_code_amcsd 0006485
	12.2573 12.2573 4.9316 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)
	MgM11 .4274 .3387 0 .0055 .0067 .0078 .0026 .0012 -.0004
	AlM12 .3502 .4207 .4956 .0070 .0046 .0056 .0032 .0011 .0005
	MgM2 0 0 .1994 .7 .0171
	TiM2 0 0 .1994 .3 .0171
	SiT1 2/3 1/3 .7812 .0051 .0051 .0092 .0025 0 0
	SiT2 .3067 .1482 .4793 .0097 .0046 .0066 .0043 -.0012 -.0012
	O1 .2798 .3431 .1713 .0061
	O2 .3851 .1767 .1940 .0077
	O3 .3548 .2826 .6313 .0065
	O4 .1538 .0734 .4330 2/3 .0109
	OH4 .1538 .0734 .4330 1/3 .0109
	OH5 .4738 .5226 .8163 .0064
	O6 .3900 .5814 .3878 .0099
	OH7 1/3 2/3 .9465 .0215
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	Ellenbergerite
	Comodi P, Zanazzi P F
	European Journal of Mineralogy 5 (1993) 819-829
	Structural study of ellenbergerite. Part 1: Effects of high temperature
	Sample: III, T = 410 deg C
	_database_code_amcsd 0006486
	12.2851 12.2851 4.9505 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)
	MgM11 .4271 .3392 0 .0127 .0166 .0099 .0072 .0012 .0004
	AlM12 .3484 .4201 .4954 .0157 .0107 .0086 .0080 .0008 .0011
	MgM2 0 0 .2034 .7 .0178
	TiM2 0 0 .2034 .3 .0178
	SiT1 2/3 1/3 .7847 .0104 .0104 .0128 .0052 0 0
	SiT2 .3068 .1489 .4794 .0160 .0102 .0079 .0077 -.0013 -.0008
	O1 .2794 .3436 .1712 .0128
	O2 .3836 .1767 .1941 .0143
	O3 .3543 .2827 .6295 .0128
	O4 .1539 .0736 .4349 2/3 .0196
	OH4 .1539 .0736 .4349 1/3 .0196
	OH5 .4737 .5218 .8153 .0130
	O6 .3891 .5806 .3895 .0164
	OH7 1/3 2/3 .9507 .0377
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	Ellenbergerite
	Comodi P, Zanazzi P F
	European Journal of Mineralogy 5 (1993) 819-829
	Structural study of ellenbergerite. Part 1: Effects of high temperature
	Sample: II, T = 668 deg C
	_database_code_amcsd 0006487
	12.3184 12.3184 4.9674 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)
	MgM11 .4270 .3394 0 .0149 .0190 .0184 .0080 .0009 -.0010
	AlM12 .3474 .4198 .4971 .0193 .0133 .0148 .0095 .0026 .0033
	MgM2 0 0 .2044 .7 .0265
	TiM2 0 0 .2044 .3 .0265
	SiT1 2/3 1/3 .7867 .0133 .0133 .0187 .0066 0 0
	SiT2 .3065 .1491 .4810 .0178 .0110 .0142 .0083 -.0019 -.0016
	O1 .2787 .3439 .1726 .0174
	O2 .3829 .1775 .1963 .0185
	O3 .3535 .2827 .6332 .0172
	O4 .1540 .0744 .4361 2/3 .0253
	OH4 .1540 .0744 .4361 1/3 .0253
	OH5 .4736 .5223 .8186 .0187
	O6 .3887 .5811 .3926 .0201
	OH7 1/3 2/3 .9541 .0465
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	Ellenbergerite
	Comodi P, Zanazzi P F
	European Journal of Mineralogy 5 (1993) 831-838
	Structural study of ellenbergerite. Part II: Effects of high pressure
	Sample: I, P = 4 kbar
	_database_code_amcsd 0006488
	12.24 12.24 4.925 90 90 120 P6_3
	atom x y z occ Uiso
	MgM11 .4276 .3387 0 .0064
	AlM12 .3506 .4208 .4946 .0054
	MgM2 0 0 .1991 .49 .0141
	FeM2 0 0 .1991 .03 .0141
	TiM2 0 0 .1991 .60 .0141
	ZrM2 0 0 .1991 .02 .0141
	SiT1 2/3 1/3 .7794 .98 .0039
	PT1 2/3 1/3 .7794 .02 .0039
	SiT2 .3069 .1481 .4771 .0062
	O1 .2801 .3432 .1698 .0058
	O2 .3860 .1773 .1913 .0087
	O3 .3559 .2837 .6285 .0067
	O4 .1531 .0724 .4303 2/3 .0093
	OH4 .1531 .0724 .4303 1/3 .0093
	OH5 .4733 .5228 .8138 .0033
	O6 .3886 .5806 .3861 .0083
	OH7 1/3 2/3 .9463 .0270
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	Ellenbergerite
	Comodi P, Zanazzi P F
	European Journal of Mineralogy 5 (1993) 831-838
	Structural study of ellenbergerite. Part II: Effects of high pressure
	Sample: I, P = 32 kbar
	_database_code_amcsd 0006489
	12.16 12.16 4.882 90 90 120 P6_3
	atom x y z occ Uiso
	MgM11 .4285 .3379 0 .0055
	AlM12 .3514 .4208 .4957 .96 .0045
	MgM12 .3514 .4208 .4957 .04 .0045
	MgM2 0 0 .1971 .77 .0132
	FeM2 0 0 .1971 .08 .0132
	TiM2 0 0 .1971 .20 .0132
	ZrM2 0 0 .1971 .28 .0132
	SiT1 2/3 1/3 .7701 .67 .0026
	PT1 2/3 1/3 .7701 .33 .0026
	SiT2 .3065 .1476 .4771 .0049
	O1 .2805 .3410 .1714 .0071
	O2 .3869 .1769 .1922 .0062
	O3 .3552 .2827 .6329 .0048
	O4 .1536 .0727 .4238 2/3 .0104
	OH4 .1536 .0727 .4238 1/3 .0104
	OH5 .4728 .5220 .8143 .0059
	O6 .3900 .5807 .3762 .0065
	OH7 1/3 2/3 .9314 .0220
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	Diopside
	Comodi P, Princivalle F, Tirone M, Zanazzi P F
	European Journal of Mineralogy 7 (1995) 141-149
	Comparative compressibility of clinopyroxenes from mantle nodules
	Sample: PC135 at room conditions
	_database_code_amcsd 0006580
	9.678 8.836 5.257 90 106.9 90 C2/c
	atom x y z occ
	MgM1 0 .9065 .25 .765
	AlM1 0 .9065 .25 .138
	FeM1 0 .9065 .25 .045
	TiM1 0 .9065 .25 .008
	CrM1 0 .9065 .25 .044
	CaM2 0 .2957 .25 .645
	NaM2 0 .2957 .25 .094
	MgM2 0 .2957 .25 .192
	FeM2 0 .2957 .25 .067
	MnM2 0 .2957 .25 .002
	SiT .2896 .0926 .2353 .944
	AlT .2896 .0926 .2353 .056
	O1 .1151 .0865 .1403
	O2 .3647 .2522 .3263
	O3 .3521 .0185 .0010
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	Diopside
	Comodi P, Princivalle F, Tirone M, Zanazzi P F
	European Journal of Mineralogy 7 (1995) 141-149
	Comparative compressibility of clinopyroxenes from mantle nodules
	Sample: 3211 at room conditions
	_database_code_amcsd 0006581
	9.702 8.878 5.252 90 106.2 90 C2/c
	atom x y z occ
	MgM1 0 .9081 .25 .845
	FeM1 0 .9081 .25 .048
	AlM1 0 .9081 .25 .083
	TiM1 0 .9081 .25 .002
	CrM1 0 .9081 .25 .023
	CaM2 0 .3002 .25 .828
	NaM2 0 .3002 .25 .102
	MgM2 0 .3002 .25 .045
	FeM2 0 .3002 .25 .024
	MnM2 0 .3002 .25 .001
	SiT .2874 .0930 .2307 .981
	AlT .2874 .0930 .2307 .019
	O1 .1151 .0861 .1405
	O2 .3618 .2511 .3193
	O3 .3511 .0175 -.0031
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	Heulandite-Ca
	Comodi P, Gatta G D, Zanazzi P F
	European Journal of Mineralogy 13 (2001) 497-505
	High-pressure structural behaviour of heulandite
	Sample: P = .0001 GPa
	_database_code_amcsd 0006866
	17.729 17.909 7.433 90 116.52 90 C2/m
	atom x y z occ Uiso
	NaCS1 .1523 0 .6735 .43 .045
	KCS1 .1523 0 .6735 .10 .045
	CaCS1 .1523 0 .6735 .1625 .045
	BaCS1 .1523 0 .6735 .0075 .045
	SrCS1 .1523 0 .6735 .2175 .045
	CaCS2 .0398 .5 .2024 .5 .033
	AlT1 .1795 .1698 .0966 .192 .0144
	SiT1 .1795 .1698 .0966 .808 .0144
	SiT2 .2109 .4098 .4988 .637 .0150
	AlT2 .2109 .4098 .4988 .363 .0150
	SiT3 .2084 .1903 .7174 .801 .0145
	AlT3 .2084 .1903 .7174 .199 .0145
	SiT4 .0645 .2978 .4100 .806 .0146
	AlT4 .0645 .2978 .4100 .194 .0146
	SiT5 0 .2126 0 .666 .0154
	AlT5 0 .2126 0 .334 .0154
	O1 .1940 .5 .455 .029
	O2 .2317 .1190 .6143 .031
	O3 .1829 .1533 .8849 .028
	O4 .2388 .1068 .2567 .027
	O5 0 .3252 .5 .032
	O6 .0821 .1579 .0642 .023
	O7 .1272 .2349 .5483 .037
	O8 .0084 .2659 .1841 .030
	O9 .2105 .2540 .1750 .029
	O10 .1148 .3724 .3962 .026
	Wat1 .2242 .5 -.009 .052
	Wat2 .080 0 .880 .106
	Wat3 .0773 .4173 .970 .065
	Wat4 0 .5 .5 .077
	Wat5 0 .091 .5 .19
	Wat6 .095 0 .288 .121
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	Heulandite-Ca
	Comodi P, Gatta G D, Zanazzi P F
	European Journal of Mineralogy 13 (2001) 497-505
	High-pressure structural behaviour of heulandite
	Sample: P = 1.45 GPa
	_database_code_amcsd 0006867
	17.481 17.625 7.345 90 116.73 90 C2/m
	atom x y z occ Uiso
	NaCS1 .1503 0 .675 .43 .043
	KCS1 .1503 0 .675 .10 .043
	CaCS1 .1503 0 .675 .1625 .043
	BaCS1 .1503 0 .675 .0075 .043
	SrCS1 .1503 0 .675 .2175 .043
	CaCS2 .033 .5 .185 .5 .028
	AlT1 .1818 .164 .101 .192 .014
	SiT1 .1818 .164 .101 .808 .014
	SiT2 .2071 .409 .490 .637 .019
	AlT2 .2071 .409 .490 .363 .019
	SiT3 .2072 .189 .716 .801 .012
	AlT3 .2072 .189 .716 .199 .012
	SiT4 .0606 .295 .403 .806 .018
	AlT4 .0606 .295 .403 .194 .018
	SiT5 0 .205 0 .666 .018
	AlT5 0 .205 0 .334 .018
	O1 .191 .5 .451 .04
	O2 .229 .120 .607 .020
	O3 .182 .144 .884 .031
	O4 .248 .105 .264 .020
	O5 0 .329 .5 .029
	O6 .087 .146 .085 .027
	O7 .127 .240 .550 .045
	O8 .003 .261 .185 .029
	O9 .207 .257 .170 .033
	O10 .112 .367 .376 .036
	Wat1 .223 .5 -.003 .04
	Wat2 .079 0 .875 .08
	Wat3 .078 .408 .948 .06
	Wat4 0 .5 .5 .07
	Wat5 0 .084 .5 .21
	Wat6 .101 0 .321 .07
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	Heulandite-Ca
	Comodi P, Gatta G D, Zanazzi P F
	European Journal of Mineralogy 13 (2001) 497-505
	High-pressure structural behaviour of heulandite
	Sample: P = 3.4 GPa
	_database_code_amcsd 0006868
	17.124 17.376 7.237 90 116.93 90 C2/m
	atom x y z occ Uiso
	NaCS1 .1431 0 .673 .43 .038
	KCS1 .1431 0 .673 .10 .038
	CaCS1 .1431 0 .673 .1625 .038
	BaCS1 .1431 0 .673 .0075 .038
	SrCS1 .1431 0 .673 .2175 .038
	CaCS2 .027 .5 .158 .5 .09
	AlT1 .183 .166 .103 .192 .013
	SiT1 .183 .166 .103 .808 .013
	SiT2 .2014 .415 .479 .637 .014
	AlT2 .2014 .415 .479 .363 .014
	SiT3 .2075 .189 .719 .801 .017
	AlT3 .2075 .189 .719 .199 .017
	SiT4 .0563 .293 .393 .806 .017
	AlT4 .0563 .293 .393 .194 .017
	SiT5 0 .199 0 .666 .019
	AlT5 0 .199 0 .334 .019
	O1 .168 .5 .407 .06
	O2 .227 .117 .612 .041
	O3 .179 .148 .887 .027
	O4 .256 .101 .264 .027
	O5 0 .338 .5 .05
	O6 .088 .144 .096 .019
	O7 .120 .239 .548 .048
	O8 -.007 .248 .177 .031
	O9 .209 .252 .175 .016
	O10 .106 .359 .350 .033
	Wat1 .229 .5 .005 .03
	Wat2 .079 0 .884 .09
	Wat3 .088 .407 .942 .09
	Wat4 0 .5 .5 .09
	Wat5 0 .093 .5 .08
	Wat6 .104 0 .319 .05
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	Heulandite-Ca
	Comodi P, Gatta G D, Zanazzi P F
	European Journal of Mineralogy 13 (2001) 497-505
	High-pressure structural behaviour of heulandite
	Sample: P = .0001 GPa (after compression)
	_database_code_amcsd 0006869
	17.774 17.824 7.438 90 116.38 90 C2/m
	atom x y z occ Uiso
	NaCS1 .1543 0 .6757 .43 .044
	KCS1 .1543 0 .6757 .10 .044
	CaCS1 .1543 0 .6757 .1625 .044
	BaCS1 .1543 0 .6757 .0075 .044
	SrCS1 .1543 0 .6757 .2175 .044
	CaCS2 .0408 .5 .2003 .5 .028
	AlT1 .1796 .1682 .0957 .192 .0142
	SiT1 .1796 .1682 .0957 .808 .0142
	SiT2 .2109 .4098 .4985 .637 .0143
	AlT2 .2109 .4098 .4985 .363 .0143
	SiT3 .2088 .1910 .7183 .801 .0138
	AlT3 .2088 .1910 .7183 .199 .0138
	SiT4 .0643 .2984 .4111 .806 .0145
	AlT4 .0643 .2984 .4111 .194 .0145
	SiT5 0 .2115 0 .666 .0165
	AlT5 0 .2115 0 .334 .0165
	O1 .1953 .5 .450 .028
	O2 .2316 .1206 .6116 .029
	O3 .1854 .1524 .8855 .029
	O4 .2403 .1059 .2566 .027
	O5 0 .3266 .5 .034
	O6 .0833 .1558 .0626 .025
	O7 .1271 .2348 .5542 .038
	O8 .0094 .2658 .1863 .035
	O9 .2099 .2532 .1756 .027
	O10 .1151 .3726 .3975 .028
	Wat1 .2223 .5 -.009 .048
	Wat2 .0795 0 .875 .111
	Wat3 .0769 .4172 .969 .062
	Wat4 0 .5 .5 .074
	Wat5 0 .0909 .5 .21
	Wat6 .097 0 .291 .13
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	Scolecite
	Comodi P, Gatta G D, Zanazzi P F
	European Journal of Mineralogy 14 (2002) 567-574
	High-pressure structural behaviour of scolecite
	Sample: P = .0001 GPa
	_database_code_amcsd 0006933
	6.533 19.030 9.830 90 109.95 90 Cc
	atom x y z Uiso
	Ca .1613 .14323 .0521 .0132
	Si1 .5 .37057 0 .0081
	Si2 .2298 .33184 .2001 .0077
	Si3 .5400 .08257 .3312 .0075
	Al1 .9344 .46209 .0998 .0081
	Al2 .3555 .21662 .4338 .0077
	O1 .5420 .0315 .4608 .0136
	O2 .4472 .0460 .1744 .0110
	O3 .3836 .1513 .3156 .0124
	O4 .1154 .1998 .4681 .0130
	O5 .3535 .2994 .3582 .0105
	O6 .0868 .2712 .0905 .0126
	O7 .4143 .3587 .1345 .0139
	O8 .0767 .3956 .2148 .0135
	O9 .7894 .1101 .3565 .0128
	O10 .6602 .4369 .0342 .0141
	Wat1 .8908 .0803 .1083 .0316
	Wat2 .9085 .3260 .4404 .0357
	Wat3 .5782 .4454 .3742 .0259
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	Scolecite
	Comodi P, Gatta G D, Zanazzi P F
	European Journal of Mineralogy 14 (2002) 567-574
	High-pressure structural behaviour of scolecite
	Sample: P = 1.77 GPa
	_database_code_amcsd 0006934
	6.471 18.804 9.723 90 109.79 90 Cc
	atom x y z Uiso
	Ca .163 .1423 .054 .012
	Si1 .5 .3701 0 .004
	Si2 .231 .3333 .207 .013
	Si3 .541 .0835 .332 .004
	Al1 .935 .4628 .101 .003
	Al2 .361 .2185 .439 .013
	O1 .548 .030 .459 .018
	O2 .445 .046 .169 .020
	O3 .387 .154 .318 .007
	O4 .118 .201 .478 .009
	O5 .363 .303 .365 .014
	O6 .090 .271 .095 .013
	O7 .414 .360 .136 .009
	O8 .075 .397 .218 .009
	O9 .793 .113 .352 .007
	O10 .661 .437 .034 .009
	Wat1 .899 .077 .112 .033
	Wat2 .912 .325 .438 .034
	Wat3 .587 .447 .371 .032
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	Scolecite
	Comodi P, Gatta G D, Zanazzi P F
	European Journal of Mineralogy 14 (2002) 567-574
	High-pressure structural behaviour of scolecite
	Sample: P = 3.38 GPa
	_database_code_amcsd 0006935
	6.430 18.631 9.363 90 109.60 90 Cc
	atom x y z Uiso
	Ca .163 .1414 .053 .010
	Si1 .5 .3705 0 .006
	Si2 .230 .3342 .208 .009
	Si3 .544 .0839 .331 .004
	Al1 .935 .4628 .101 .006
	Al2 .360 .2189 .443 .009
	O1 .561 .031 .467 .011
	O2 .446 .048 .175 .018
	O3 .386 .153 .319 .009
	O4 .113 .201 .473 .009
	O5 .369 .302 .371 .016
	O6 .086 .273 .098 .007
	O7 .413 .362 .137 .015
	O8 .066 .398 .222 .006
	O9 .793 .113 .352 .005
	O10 .657 .434 .033 .005
	Wat1 .899 .073 .109 .027
	Wat2 .910 .323 .441 .030
	Wat3 .594 .447 .370 .025
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	Scolecite
	Comodi P, Gatta G D, Zanazzi P F
	European Journal of Mineralogy 14 (2002) 567-574
	High-pressure structural behaviour of scolecite
	Sample: P = .0001 GPa (after compression)
	Note: y-coordinate of O5 altered to match bond lengths
	_database_code_amcsd 0006936
	6.542 18.842 9.863 90 109.89 90 Cc
	atom x y z Uiso
	Ca .1610 .14330 .0512 .0122
	Si1 .5 .37076 0 .0072
	Si2 .2292 .33187 .1996 .0070
	Si3 .5395 .08247 .3307 .0066
	Al1 .9339 .46211 .0991 .0075
	Al2 .3549 .21648 .4334 .0067
	O1 .5412 .0316 .4607 .0133
	O2 .4477 .0455 .1738 .0109
	O3 .383 .1516 .3154 .0117
	O4 .1153 .1995 .4679 .0128
	O5 .3529 .2993 .3579 .0091
	O6 .0858 .2713 .0902 .0111
	O7 .4147 .3586 .1350 .0135
	O8 .0759 .3957 .2139 .0126
	O9 .7900 .1095 .3570 .0118
	O10 .6602 .4369 .0342 .0126
	Wat1 .8906 .0807 .1075 .031
	Wat2 .9077 .3259 .4393 .035
	Wat3 .5785 .4449 .3743 .027
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	Bikitaite
	Comodi P, Gatta G D, Zanazzi P F
	European Journal of Mineralogy 15 (2003) 247-255
	Effects of pressure on the structure of bikitaite
	P = 0.0001 GPa
	_database_code_amcsd 0006964
	8.607 4.956 7.601 89.98 114.38 89.98 P1
	atom x y z Uiso
	Li1 .314 .366 .153 .016
	Li2 .703 .868 .880 .019
	Si1 .1070 .8641 .0995 .0079
	Si2 .1038 .8006 .5049 .0089
	Si22 .8924 .2995 .4881 .0094
	Si23 .6196 .3747 .0650 .0079
	Al13 .3805 .8743 .9393 .0086
	Al21 .9004 .3643 .9089 .0091
	O11 .2644 .7400 .0614 .0121
	O12 .0863 .1822 .0454 .0128
	O13 .1580 .8280 .3279 .0184
	O14 .0542 .4865 .5145 .0196
	O15 .2606 .8916 .6949 .0182
	O16 .4523 .1969 .0305 .0120
	O17 .4100 .325 .4377 .0290
	O21 .7311 .2426 .9592 .0117
	O22 .9315 .7054 .9751 .0132
	O23 .8408 .3284 .6648 .0214
	O24 .9368 .9863 .4637 .0188
	O25 .7321 .3933 .2968 .0176
	O26 .5621 .6772 .9838 .0121
	O27 .6008 .822 .5924 .031
	H11 .352 .30 .48 .01
	H12 .46 .19 .46 .04
	H21 .69 .85 .53 .14
	H22 .54 .72 .56 .04
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	Bikitaite
	Comodi P, Gatta G D, Zanazzi P F
	European Journal of Mineralogy 15 (2003) 247-255
	Effects of pressure on the structure of bikitaite
	P = 3.2 GPa
	_database_code_amcsd 0006965
	8.543 4.852 7.377 89.65 114.74 90.34 P1
	atom x y z Uiso
	Li1 .297 .341 .167 .011
	Li2 .677 .843 .833 .010
	Si1 .104 .834 .105 .008
	Si2 .1038 .8006 .5049 .012
	Si22 .892 .296 .496 .011
	Si23 .616 .368 .073 .009
	Al13 .377 .867 .942 .010
	Al21 .898 .334 .934 .009
	O11 .259 .713 .056 .014
	O12 .089 .165 .074 .013
	O13 .157 .746 .327 .017
	O14 .056 .514 .581 .011
	O15 .263 .947 .703 .013
	O16 .460 .178 .074 .011
	Wat17 .414 .286 .473 .022
	O21 .720 .217 .966 .015
	O22 .923 .680 .967 .009
	O23 .831 .249 .670 .009
	O24 .935 .011 .420 .023
	O25 .739 .433 .306 .012
	O26 .543 .654 .952 .009
	Wat27 .585 .779 .551 .031
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	Bikitaite
	Comodi P, Gatta G D, Zanazzi P F
	European Journal of Mineralogy 15 (2003) 247-255
	Effects of pressure on the structure of bikitaite
	P = 0.0001 GPa after decompression
	_database_code_amcsd 0006966
	8.605 4.957 7.606 89.93 114.40 89.85 P1
	atom x y z Uiso
	Li1 .312 .363 .151 .022
	Li2 .702 .866 .878 .022
	Si1 .1072 .8644 .0990 .0093
	Si2 .1038 .8006 .5049 .0099
	Si22 .8925 .2991 .4880 .0101
	Si23 .6197 .3747 .0648 .0084
	Al13 .3808 .8745 .9391 .0084
	Al21 .9003 .3647 .9086 .0095
	O11 .2643 .7405 .0616 .0133
	O12 .0864 .1824 .0456 .0132
	O13 .1599 .8286 .3287 .0196
	O14 .0553 .4858 .5144 .0212
	O15 .2612 .8924 .6956 .0196
	O16 .4524 .1965 .0311 .0127
	O17 .4089 .325 .4391 .031
	O21 .7316 .2447 .9588 .0122
	O22 .9313 .7050 .9758 .0144
	O23 .8422 .3278 .6656 .0208
	O24 .9370 .9879 .4644 .0202
	O25 .7317 .3925 .2968 .0187
	O26 .5617 .6785 .9847 .0129
	O27 .6010 .822 .5921 .032
	H11 .33 .34 .48 .04
	H12 .45 .23 .45 .01
	H21 .68 .80 .56 .13
	H22 .56 .65 .74 .08
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	Clinochlore
	Zanazzi P F, Comodi P, Nazzareni S, Andreozzi G B
	European Journal of Mineralogy 21 (2009) 581-589
	Thermal behaviour of chlorite: an in situ single-crystal
	and powder diffraction study
	Locality: Val Malenco, Italy
	Note: T = 25 C
	_database_code_amcsd 0007298
	5.327 9.233 14.381 90.2 97.2 89.97 C-1
	atom x y z occ Uiso
	MgM1 0 0 0 .913 .0079
	FeM1 0 0 0 .087 .0079
	MgM2 .00106 .33371 -.00003 .912 .0089
	FeM2 .00106 .33371 -.00003 .088 .0089
	MgM3 -.00033 .16679 .49998 .940 .0085
	FeM3 -.00033 .16679 .49998 .060 .0085
	MgM4 0 .5 .5 .946 .0066
	FeM4 0 .5 .5 .054 .0066
	SiT1 .23159 .16805 .19168 .640 .0076
	AlT1 .23159 .16805 .19168 .360 .0076
	SiT2 .73199 .00125 .19169 .639 .0077
	AlT2 .73199 .00125 .19169 .361 .0077
	O1 .1928 .1675 .0768 .0099
	O2 .6930 .0005 .0769 .0102
	O3 .2133 .3350 .2329 .0163
	O4 .5121 .1008 .2330 .0168
	O5 .0121 .0687 .2330 .0166
	O1 .6922 .3336 .0734 .0109
	O2 .1521 -.0006 .4304 .0152
	O3 .1382 .3374 .4303 .0158
	O4 .6386 .1615 .4309 .0147
	H1 .709 .335 .134 .037
	H2 .132 .005 .375 .037
	H3 .131 .338 .377 .037
	H4 .620 .161 .375 .037
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	Clinochlore
	Zanazzi P F, Comodi P, Nazzareni S, Andreozzi G B
	European Journal of Mineralogy 21 (2009) 581-589
	Thermal behaviour of chlorite: an in situ single-crystal
	and powder diffraction study
	Locality: Val Malenco, Italy
	Note: T = 301 C
	_database_code_amcsd 0007299
	5.3454 9.2584 14.435 90.29 97.28 90.00 C-1
	atom x y z occ Uiso
	MgM1 0 0 0 .913 .015
	FeM1 0 0 0 .087 .015
	MgM2 .0011 .3337 .0000 .912 .016
	FeM2 .0011 .3337 .0000 .088 .016
	MgM3 -.0002 .1671 .5001 .940 .023
	FeM3 -.0002 .1671 .5001 .060 .023
	MgM4 0 .5 .5 .946 .020
	FeM4 0 .5 .5 .054 .020
	SiT1 .2322 .1681 .1920 .640 .019
	AlT1 .2322 .1681 .1920 .360 .019
	SiT2 .7322 .0020 .1918 .639 .018
	AlT2 .7322 .0020 .1918 .361 .018
	O1 .1928 .1666 .0767 .016
	O2 .6925 .0013 .0769 .015
	O3 .2248 .3356 .2329 .028
	O4 .5078 .0960 .2328 .023
	O5 .0078 .0740 .2326 .026
	OH1 .6916 .3340 .0741 .017
	OH2 .1512 -.0008 .4300 .026
	OH3 .1370 .3370 .4297 .027
	OH4 .6361 .1615 .4301 .024
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	Clinochlore
	Zanazzi P F, Comodi P, Nazzareni S, Andreozzi G B
	European Journal of Mineralogy 21 (2009) 581-589
	Thermal behaviour of chlorite: an in situ single-crystal
	and powder diffraction study
	Locality: Val Malenco, Italy
	Note: T = 399 C
	_database_code_amcsd 0007300
	5.3504 9.2661 14.447 90.31 97.29 90.00 C-1
	atom x y z occ Uiso
	MgM1 0 0 0 .913 .018
	FeM1 0 0 0 .087 .018
	MgM2 .0013 .3337 .0000 .912 .019
	FeM2 .0013 .3337 .0000 .088 .019
	MgM3 -.0003 .1670 .5000 .940 .026
	FeM3 -.0003 .1670 .5000 .060 .026
	MgM4 0 .5 .5 .946 .023
	FeM4 0 .5 .5 .054 .023
	SiT1 .2322 .1678 .1918 .640 .021
	AlT1 .2322 .1678 .1918 .360 .021
	SiT2 .7324 .0019 .1917 .639 .021
	AlT2 .7324 .0019 .1917 .361 .021
	O1 .1929 .1666 .0769 .020
	O2 .6926 .0008 .0770 .019
	O3 .2276 .3354 .2326 .032
	O4 .5062 .0949 .2326 .027
	O5 .0062 .0761 .2325 .028
	OH1 .6915 .3334 .0744 .021
	OH2 .1510 -.0014 .4297 .027
	OH3 .1374 .3364 .4297 .029
	OH4 .6365 .1619 .4301 .026
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