Aragonite
	Dal Negro A, Ungaretti L
	American Mineralogist 56 (1971) 768-772
	Refinement of the crystal structure of aragonite
	_database_code_amcsd 0000236
	4.9616 7.9705 5.7394 90 90 90 Pmcn
	atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Ca .25 .4151 .2403 .006640 .002837 .004770 0 0 -.000153
	C .25 .7627 .0850 .008507 .003545 .005068 0 0 .000594
	O1 .25 .9231 .0952 .014831 .003861 .009870 0 0 .001077
	O2 .4729 .6801 .0870 .008513 .005523 .010188 .001234 .000688 -.000260
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	Aksaite
	Dal Negro A, Ungaretti L, Sabelli C
	American Mineralogist 56 (1971) 1553-1566
	The crystal structure of aksaite
	_database_code_amcsd 0000260
	12.540 24.327 7.480 90 90 90 Pbca
	atom x y z Biso
	Mg .4316 .1279 .0542 .67
	B1 .6592 .3673 .3902 .82
	B2 .5015 .3358 .1876 .86
	B3 .5303 .4387 .2506 .79
	B4 .6577 .2761 .2450 .85
	B5 .4553 .4053 -.0318 .83
	B6 .7130 .4635 .3434 .82
	O1 .7141 .3181 .3330 .93
	OH2 .5967 .3586 .5529 1.08
	O3 .5767 .3814 .2491 .64
	O4 .7338 .4125 .4020 .95
	O5 .5593 .2842 .1821 .95
	OH6 .4143 .3331 .3133 1.00
	O7 .4669 .3509 .0081 1.04
	O8 .4743 .4465 .0835 .92
	OH9 .4606 .4438 .4074 1.07
	O10 .6178 .4777 .2659 1.07
	OH11 .6977 .2244 .2442 1.78
	OH12 .4273 .4178 -.2081 1.02
	OH13 .7878 .5048 .3526 1.66
	OH14 .2659 .1127 .0541 1.92
	Wat15 .4140 .1996 .2065 .96
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	Elpidite
	Cannillo E, Rossi G, Ungaretti L
	American Mineralogist 58 (1973) 106-109
	The crystal structure of elpidite
	_database_code_amcsd 0000303
	7.14 14.68 14.65 90 90 90 Pbcm
	atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Zr .4950 .25 .5 .0029 .0002 .0005 0 0 -.0001
	Si1 .7720 .3854 .6462 .40
	Si2 .5086 .0476 .6413 .51
	Si3 .2170 .3928 .6435 .49
	Na1 .4362 .2299 .75 2.07
	Na2 -.0027 .25 .5 2.02
	O1 .9966 .4047 .6392 1.46
	O2 .7156 .3538 .75 1.33
	O3 .7077 .3099 .5772 1.38
	O4 .6781 .4825 .6277 1.53
	O5 .5285 .0713 .75 .93
	O6 .4904 .1405 .5886 1.20
	O7 .3029 .4888 .6119 .51
	O8 .2881 .3770 .75 .79
	O9 .2928 .3097 .5823 .80
	Wat1 .0104 .1130 .5810 2.61
	Wat2 .1233 .1895 .75 3.04
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	Ezcurrite
	Cannillo E, Dal Negro A, Ungaretti L
	American Mineralogist 58 (1973) 110-115
	The crystal structure of ezcurrite
	_database_code_amcsd 0000304
	8.598 9.570 6.576 102.75 107.50 71.52 P-1
	atom x y z Biso
	Na1 .8988 .3700 .0373 1.81
	Na2 .5860 .1519 .5616 2.88
	B1 .3333 .1608 .1463 1.05
	B2 .2566 .2850 -.1777 1.12
	B3 .4580 .3607 .1560 1.28
	B4 -.0485 .3710 -.3761 1.14
	B5 .1590 .2623 -.5812 .95
	H1 .518 -.045 .167 3.00
	H2 .593 .507 .186 3.00
	H3 -.292 .428 -.481 3.00
	H4 .781 -.021 .288 5.00
	H5 .749 .087 .919 5.00
	O1 .1756 .2244 .2169 1.17
	O2 .4110 .0118 .2130 1.35
	O3 .2982 .1510 -.0867 1.02
	O4 .4508 .2564 .2527 1.34
	O5 .5666 .4476 .2676 1.94
	O6 .3627 .3865 -.0474 1.34
	O7 .0778 .3727 -.1868 1.21
	O8 .2846 .2489 -.3991 1.18
	O9 -.2072 .4156 -.3508 2.00
	O10 -.0113 .3259 -.5695 1.47
	O11 .8265 .0547 .4041 4.07
	O12 .8261 .1440 .9732 7.28
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	Teruggite
	Dal Negro A, Kumbasar I, Ungaretti L
	American Mineralogist 58 (1973) 1034-1043
	The crystal structure of teruggite
	_database_code_amcsd 0000390
	15.675 19.920 6.255 90 99.33 90 P2_1/a
	atom x y z Biso
	Mg 0 0 0 1.56
	As .74892 .04890 .49105 .90
	Ca1 .73006 .21207 .21647 1.14
	Ca2 .94886 .45050 .71508 .86
	B1 .2956 .1161 .0164 1.06
	B2 .4502 .2778 .4384 1.16
	B3 .4442 .0798 .1757 .86
	B4 .3641 .1729 .3541 .79
	B5 .5342 .1722 .4224 .77
	B6 .6067 .0981 .1774 .93
	O1 .2938 .1631 .1742 1.30
	O2 .3699 .0810 -.0014 .91
	O3 .3720 .2458 .3859 1.28
	O4 .4475 .1474 .2905 .80
	O5 .5220 .0697 .0849 .95
	O6 .5258 .2450 .4525 1.06
	O7 .6007 .1590 .3014 1.08
	O8 .6497 .0412 .3239 1.19
	O9 .7296 .0296 .7376 1.40
	O10 .8160 -.0062 .4011 1.64
	O11 .7862 .1276 .4755 1.75
	OH12 .2217 .1068 -.1286 1.67
	OH13 .3508 .1371 .5472 1.33
	OH14 .4323 .0254 .3271 .99
	OH15 .4507 .3463 .4772 1.69
	OH16 .5396 .1365 .6299 1.34
	OH17 .6599 .1164 .0177 1.16
	Wat18 .8020 .1999 -.0982 3.32
	Wat19 .6995 .2776 .5224 3.33
	Wat20 .6295 .2756 -.0216 3.84
	Wat21 .5477 .4551 .2934 2.82
	Wat22 .5307 .4116 -.1506 3.35
	Wat23 .3790 .4653 .0328 2.18
	Wat24 .4573 .2332 -.0926 2.33
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	Ussingite
	Rossi G, Tazzoli V, Ungaretti L
	American Mineralogist 59 (1974) 335-340
	The crystal structure of ussingite
	_database_code_amcsd 0000399
	7.256 7.686 8.683 90.75 99.75 122.48 P-1
	atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Al .2422 .0457 .8551 .003788 .004469 .002458 .002209 .000854 .000758
	Si1 .2463 .1935 .3626 .003623 .003823 .002521 .001822 .000658 .000437
	Si2 .3203 .4147 .6924 .004717 .004041 .002127 .001943 .000971 .000672
	Si3 .7014 .1041 .8129 .003229 .005076 .002433 .002751 .001687 .001026
	Na1 .1759 .3924 .0555 .014721 .011833 .005361 .008533 .001534 .000218
	Na2 .8214 .2342 .4421 .015378 .010061 .004644 .007916 .002133 .001652
	H .979 .405 .765
	O1 .0021 .1358 .2792 .006931 .007376 .006091 .003748 .001057 -.000105
	O2 .1419 .4749 .6515 .008921 .010164 .006054 .006000 .002304 .002923
	O3 .2767 -.0021 .3473 .009870 .007111 .003092 .005536 .001337 .000749
	O4 .3010 .2970 .8489 .008492 .006090 .003114 .003636 .001210 .000598
	O5 .4442 .0224 .7955 .007278 .009345 .005575 .004941 .001388 .000767
	O6 .4231 .3818 .2768 .007218 .007946 .004085 .002534 .001959 .001688
	O7 .7980 .0344 .9625 .013162 .014394 .003821 .009997 .002274 .002850
	O8 .8580 .3557 .8210 .008932 .006853 .006657 .002768 .003279 .000000
	O9 .2973 .2604 .5485 .015887 .009418 .002871 .007275 .001241 .000647
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	Ameghinite
	Dal Negro A, Pozas J M M, Ungaretti L
	American Mineralogist 60 (1975) 879-883
	The crystal structure of ameghinite
	_database_code_amcsd 0000470
	18.428 9.882 6.326 90 104.4 90 C2/c
	atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Na .1730 .2380 .1032 1.64 .001116 .004941 .012686 .000552 .001618 .000376
	B1 .3412 .1716 .4414 1.07 .000536 .001950 .010988 -.000005 .000404 .000198
	B2 .4028 .3987 .4959 1.14 .000951 .002962 .007124 .000103 .000711 .000736
	B3 .4778 .1994 .4828 1.12 .000787 .003442 .008111 -.000288 .001092 -.000706
	Oh1 .5494 .1575 .4964 1.62 .000743 .002784 .019029 .000227 .001168 .001012
	Oh2 .3011 .1606 .2150 1.29 .000868 .003478 .008704 -.000177 .000537 .000544
	Oh3 .3058 .1016 .5929 1.35 .000900 .003118 .010390 -.000377 .000438 .000255
	Oh4 .3986 .5352 .5164 1.61 .000938 .002670 .019167 .000386 .001814 .003202
	O5 .4701 .3401 .4812 1.48 .000684 .002293 .016263 .000074 .000460 .001292
	O6 .3437 .3196 .4990 1.50 .000715 .002336 .016074 .000090 .000348 -.000606
	O7 .4194 .1177 .4800 1.26 .000728 .002385 .013890 .000212 .001224 .001776
	H1 .561 .059 .505 3.0
	H2 .303 .065 .171 3.0
	H3 .252 .130 .560 3.0
	H4 .447 .581 .517 3.0
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	Semenovite-(Ce)
	Mazzi F, Ungaretti L, Dal Negro A, Petersen O V, Ronsbo J G
	American Mineralogist 64 (1979) 202-210
	The crystal structure of semenovite
	_database_code_amcsd 0000705
	13.879 13.835 9.942 90 90 90 Pmnn
	atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Ce1 .1390 0 0 .80 .0012 .0015 .0028 0 0 -.0003
	Na1 .1390 0 0 .14 .0012 .0015 .0028 0 0 -.0003
	Na2 .1349 0 .5 .56 .0053 .0067 .0087 0 0 .0013
	Ce2 .1349 0 .5 .20 .0053 .0067 .0087 0 0 .0013
	Fe3 .5 0 .5 .40 .0024 .0018 .0038 0 0 .0001
	Mn3 .5 0 .5 .40 .0024 .0018 .0038 0 0 .0001
	Fe4 .5 0 0 .10 .0039 .0013 .0026 0 0 .0012
	Mn4 .5 0 0 .10 .0039 .0013 .0026 0 0 .0012
	Ca5 .1385 .2097 .0128 .52 .0015 .0022 .0023 .0008 .0002 .0001
	Na5 .1385 .2097 .0128 .48 .0015 .0022 .0023 .0008 .0002 .0001
	Na6 .1431 .3060 .5053 .87 .0017 .0038 .0040 .0010 .0004 -.0013
	Ca6 .1431 .3060 .5053 .13 .0017 .0038 .0040 .0010 .0004 -.0013
	Si1 .3373 -.0044 .2532 .0013 .0018 .0040 .0004 -.0003 .0000
	Si2 .2045 .1509 .2789 .80 .0007 .0011 .0021 .0000 -.0002 -.0001
	Be2 .2045 .1509 .2789 .20 .0007 .0011 .0021 .0000 -.0002 -.0001
	Be3 .2043 .1547 .7769 .80 .0015 .0033 .0044 .0001 .0006 .0006
	Si3 .2043 .1547 .7769 .20 .0015 .0033 .0044 .0001 .0006 .0006
	Si4 .5 .1297 .2364 .80 .0014 .0010 .0020 0 0 -.0009
	Be4 .5 .1297 .2364 .20 .0014 .0010 .0020 0 0 -.0009
	Be5 .5 .1388 .7289 .80 .0015 .0030 .0064 0 0 .0041
	Si5 .5 .1388 .7289 .20 .0015 .0030 .0064 0 0 .0041
	Si6 0 .1493 .2350 .0010 .0020 .0042 0 0 .0004
	Si7 0 .1513 .7466 .0020 .0024 .0048 0 0 .0004
	O1 .2490 .2473 .3393 .0027 .0016 .0030 -.0003 -.0009 -.0008
	O2 .2668 .0627 .3473 .0019 .0021 .0043 .0007 .0000 -.0002
	O3 .2703 .0649 .8477 .0017 .0012 .0046 .0006 .0003 .0001
	O4 .4061 .0737 .1713 .0014 .0023 .0040 -.0001 -.0005 .0003
	O5 .4065 .0742 .6567 .0014 .0016 .0051 -.0001 .0004 .0003
	O6 .0940 .1379 .3375 .0009 .0040 .0030 .0001 -.0005 .0001
	O7 .0963 .1395 .8393 .0009 .0038 .0048 .0003 -.0002 .0015
	O8 .2023 .1449 .1172 .0019 .0019 .0021 -.0001 .0002 .0002
	F9 .2066 .1547 .6208 .0020 .0021 .0028 -.0002 .0000 -.0001
	O10 .5 .2397 .1699 .0017 .0018 .0047 0 0 -.0011
	O11 .5 .2450 .6648 .0027 .0020 .0034 0 0 -.0001
	O12 .5 .1328 .3934 .0024 .0031 .0018 0 0 .0003
	OH13 .5 .1361 .8857 .0025 .0030 .0039 0 0 -.0003
	O14 0 .0619 .1234 .0014 .0024 .0044 0 0 -.0009
	OH15 0 .0756 .6209 .0026 .0021 .0085 0 0 -.0018
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	Leakeite
	Hawthorne F C, Oberti R, Ungaretti L, Grice J D
	American Mineralogist 77 (1992) 1112-1115
	Leakeite, NaNa2(Mg2Fe2Li)Si8O22(OH)2, a new alkali amphibole from the
	Kajlidongri manganese mine, Jhabua district, Madhya Pradesh, India
	_database_code_amcsd 0001541
	9.822 17.836 5.286 90 104.37 90 C2/m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	O1 .1100 .0905 .2154 0.0013 0.0006 0.0081 -.0001 0.0005 -.0001
	O2 .1184 .1685 .7284 0.0016 0.0006 0.0083 .0001 0.0006 0.0004
	O3 .1110 0 .6985 0.0023 0.0005 0.0111 -.0004 0.0005 -.0001
	O4 .3623 .2504 .8027 0.0033 0.0004 0.0096 -.0003 0.0017 0
	O5 .3486 .1281 .0850 0.0014 0.0008 0.0068 .0001 0.0006 0.0007
	O6 .3436 .1193 .5854 0.0016 0.0008 0.0059 0 0.0005 -.0006
	O7 .3338 0 .2983 0.0021 0.0003 0.0149 0 0.0007 0
	Si1 .2780 .0862 .2944 0.0013 0.0003 0.0048 0 0.0004 -.0001
	Si2 .2883 .1712 .8018 0.0011 0.0003 0.0050 -.0001 0.0005 0
	Mg1 0 .0848 .5 .72 0.0017 0.0007 0.0061 0 0.0012 0
	Fe1 0 .0848 .5 .28 0.0017 0.0007 0.0061 0 0.0012 0
	Mg2 0 .1796 0 .28 0.0013 0.0003 0.0056 0 0.0006 0
	Fe2 0 .1796 0 .72 0.0013 0.0003 0.0056 0 0.0006 0
	Li3 0 0 0 .83 0.0023 0.0003 0.0065 0 -.0002 0
	Mg3 0 0 0 .17 0.0023 0.0003 0.0065 0 -.0002 0
	Na4 0 .2763 .5 .98 0.0037 0.0007 0.0160 0 0.0045 0
	Ca4 0 .2763 .5 .02 0.0037 0.0007 0.0160 0 0.0045 0
	NaA 0 .5 0 .85 0.0201 0.0009 0.0771 0 0.0384 0
	Nam .0399 .5 .0930 .038 0.0108 0.0016 0.0337 0 0.0149 0
	Na2 0 .4766 0 .038 4.14
	H .1845 0 .7705
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	Fluoro-oxy-ferri-magnesiokatophorite
	Hawthorne F C, Ungaretti L, Oberti R, Bottazzi P, Czamanske G K
	American Mineralogist 78 (1993) 733-745
	Li: an important component in igneous alkali amphiboles
	Locality: Questa caldera, New Mexico
	Sample: A(1), magnesio-ferri-fluor-oxy-katophorite
	_database_code_amcsd 0001586
	9.795 17.993 5.280 90 104.53 90 C2/m
	atom x y z occ Biso
	O1 .1125 .0860 .2185 .58
	O2 .1183 .1684 .7257 .70
	O3 .1028 0 .7121 .30 .89
	F .1028 0 .7121 .70 .89
	O4 .3625 .2494 .7950 .93
	O5 .3492 .1334 .0947 .93
	O6 .3460 .1198 .5886 .81
	O7 .3414 0 .2956 .97
	SiT1 .2834 .0845 .2973 .948 .47
	AlT1 .2834 .0845 .2973 .052 .47
	SiT2 .2896 .1708 .8041 .948 .46
	AlT2 .2896 .1708 .8041 .052 .46
	MgM1 0 .0839 .5 .640 .82
	Fe3+M1 0 .0839 .5 .265 .82
	TiM1 0 .0839 .5 .025 .82
	MnM1 0 .0839 .5 .070 .82
	MgM2 0 .1792 0 .595 .61
	Fe3+M2 0 .1792 0 .275 .61
	MnM2 0 .1792 0 .130 .61
	LiM3 0 0 0 .060 .50
	MgM3 0 0 0 .770 .50
	Fe3+M3 0 0 0 .140 .50
	MnM3 0 0 0 .030 .50
	NaM4 0 .2767 .5 .875 1.03
	CaM4 0 .2767 .5 .125 1.03
	KA 0 .5 0 .068 6.98
	NaA 0 .5 0 .164 6.98
	KAm .0469 .5 .1117 .029 3.60
	NaAm .0469 .5 .1117 .069 3.60
	KA2 0 .4833 0 .011 3.96
	NaA2 0 .4833 0 .026 3.96
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	Fluoro-ferri-magnesiokatophorite
	Hawthorne F C, Ungaretti L, Oberti R, Bottazzi P, Czamanske G K
	American Mineralogist 78 (1993) 733-745
	Li: an important component in igneous alkali amphiboles
	Locality: Questa caldera, New Mexico
	Sample: A(2), magnesio-ferri-fluor-katophorite
	_database_code_amcsd 0001587
	9.808 17.993 5.284 90 104.54 90 C2/m
	atom x y z occ Biso
	O1 .1123 .0866 .2183 .72
	O2 .1186 .1686 .7272 .68
	O3 .1034 0 .7103 .23 .89
	OH3 .1034 0 .7103 .09 .89
	F .1034 0 .7103 .68 .89
	O4 .3623 .2494 .7961 .86
	O5 .3490 .1327 .0945 .97
	O6 .3455 .1194 .5897 .80
	O7 .3404 0 .2962 1.05
	SiT1 .2826 .0846 .2976 .95 .48
	AlT1 .2826 .0846 .2976 .05 .48
	SiT2 .2895 .1706 .8045 .95 .48
	AlT2 .2895 .1706 .8045 .05 .48
	MgM1 0 .0846 .5 .730 .72
	Fe3+M1 0 .0846 .5 .200 .72
	TiM1 0 .0846 .5 .025 .72
	MnM1 0 .0846 .5 .045 .72
	MgM2 0 .1795 0 .435 .61
	Fe3+M2 0 .1795 0 .400 .61
	ZnM2 0 .1795 0 .165 .61
	LiM3 0 0 0 .060 .58
	MgM3 0 0 0 .830 .58
	Fe3+M3 0 0 0 .040 .58
	MnM3 0 0 0 .070 .58
	NaM4 0 .2774 .5 .525 .87
	CaM4 0 .2774 .5 .475 .87
	KA 0 .5 0 .069 5.90
	NaA 0 .5 0 .171 5.90
	KAm .0451 .5 .1077 .039 3.84
	NaAm .0451 .5 .1077 .097 3.84
	KA2 0 .4795 0 .011 3.07
	NaA2 0 .4795 0 .027 3.07
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	Fluoro-ferroleakeite
	Hawthorne F C, Ungaretti L, Oberti R, Bottazzi P, Czamanske G K
	American Mineralogist 78 (1993) 733-745
	Li: an important component in igneous alkali amphiboles
	Locality: Questa caldera, New Mexico
	Sample: A(3), ferro-fluor-leakeite
	_database_code_amcsd 0001588
	9.792 17.934 5.313 90 103.87 90 C2/m
	atom x y z occ Biso
	O1 .1107 .0906 .2088 .65
	O2 .1198 .1715 .7368 .64
	OH3 .1130 0 .7071 .15 1.12
	F .1130 0 .7071 .85 1.12
	O4 .3652 .2497 .8013 .81
	O5 .3507 .1284 .0836 .82
	O6 .3417 .1201 .5805 .81
	O7 .3356 0 .2992 .87
	SiT1 .2797 .0858 .2918 .959 .46
	AlT1 .2797 .0858 .2918 .041 .46
	SiT2 .2903 .1707 .8024 .959 .45
	AlT2 .2903 .1707 .8024 .041 .45
	MgM1 0 .0888 .5 .250 .63
	Fe2+M1 0 .0888 .5 .560 .63
	MnM1 0 .0888 .5 .190 .63
	Fe2+M2 0 .1811 0 .020 .53
	Fe3+M2 0 .1811 0 .910 .53
	TiM2 0 .1811 0 .040 .53
	ZnM2 0 .1811 0 .030 .53
	LiM3 0 0 0 .640 .67
	MgM3 0 0 0 .040 .67
	MnM3 0 0 0 .320 .67
	NaM4 0 .2776 .5 1.11
	KA 0 .5 0 .064 4.86
	NaA 0 .5 0 .180 4.86
	KAm .0456 .5 .0973 .083 3.52
	NaAm .0456 .5 .0973 .230 3.52
	KA2 0 .4693 0 .004 3.69
	NaA2 0 .4693 0 .011 3.69
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	Fluoro-ferroleakeite
	Hawthorne F C, Ungaretti L, Oberti R, Bottazzi P, Czamanske G K
	American Mineralogist 78 (1993) 733-745
	Li: an important component in igneous alkali amphiboles
	Locality: Questa caldera, New Mexico
	Sample: A(4), ferro-fluor-leakeite
	_database_code_amcsd 0001589
	9.796 17.934 5.312 90 103.89 90 C2/m
	atom x y z occ Biso
	O1 .1107 .0904 .2093 .61
	O2 .1197 .1714 .7363 .61
	OH3 .1123 0 .7067 .20 1.03
	F .1123 0 .7067 .80 1.03
	O4 .3651 .2498 .8012 .78
	O5 .3505 .1284 .0834 .77
	O6 .3420 .1202 .5806 .75
	O7 .3358 0 .2987 .84
	SiT1 .2797 .0858 .2920 .975 .42
	AlT1 .2797 .0858 .2920 .025 .42
	SiT2 .2902 .1707 .8025 .975 .41
	AlT2 .2902 .1707 .8025 .025 .41
	MgM1 0 .0888 .5 .300 .59
	Fe2+M1 0 .0888 .5 .530 .59
	MnM1 0 .0888 .5 .170 .59
	Fe2+M2 0 .1810 0 .030 .48
	Fe3+M2 0 .1810 0 .900 .48
	TiM2 0 .1810 0 .035 .48
	ZnM2 0 .1810 0 .035 .48
	LiM3 0 0 0 .640 .66
	MgM3 0 0 0 .040 .66
	MnM3 0 0 0 .320 .66
	NaM4 0 .2775 .5 1.17
	KA 0 .5 0 .065 4.69
	NaA 0 .5 0 .178 4.69
	KAm .0447 .5 .0963 .082 3.25
	NaAm .0447 .5 .0963 .224 3.25
	KA2 0 .4661 0 .005 2.06
	NaA2 0 .4661 0 .013 2.06
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	Fluoro-ferroleakeite
	Hawthorne F C, Ungaretti L, Oberti R, Bottazzi P, Czamanske G K
	American Mineralogist 78 (1993) 733-745
	Li: an important component in igneous alkali amphiboles
	Locality: Questa caldera, New Mexico
	Sample: A(5), ferro-fluor-leakeite
	_database_code_amcsd 0001590
	9.792 17.935 5.314 90 103.85 90 C2/m
	atom x y z occ Biso
	O1 .1108 .0907 .2088 .59
	O2 .1200 .1718 .7373 .62
	OH3 .1130 0 .7075 .20 1.08
	F .1130 0 .7075 .80 1.08
	O4 .3654 .2496 .8011 .78
	O5 .3506 .1284 .0831 .79
	O6 .3416 .1202 .5804 .74
	O7 .3352 0 .2987 .85
	SiT1 .2796 .0859 .2916 .966 .44
	AlT1 .2796 .0859 .2916 .034 .44
	SiT2 .2904 .1708 .8026 .966 .42
	AlT2 .2904 .1708 .8026 .034 .42
	MgM1 0 .0889 .5 .210 .61
	Fe2+M1 0 .0889 .5 .590 .61
	MnM1 0 .0889 .5 .200 .61
	Fe3+M2 0 .1811 0 .930 .50
	TiM2 0 .1811 0 .035 .50
	ZnM2 0 .1811 0 .035 .50
	LiM3 0 0 0 .630 .64
	MgM3 0 0 0 .040 .64
	MnM3 0 0 0 .330 .64
	NaM4 0 .2776 .5 1.13
	KA 0 .5 0 .060 5.58
	NaA 0 .5 0 .165 5.58
	KAm .0449 .5 .0989 .082 3.54
	NaAm .0449 .5 .0989 .224 3.54
	KA2 0 .4734 0 .006 2.17
	NaA2 0 .4734 0 .017 2.17
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	Fluoro-ferri-magnesiokatophorite
	Hawthorne F C, Ungaretti L, Oberti R, Bottazzi P, Czamanske G K
	American Mineralogist 78 (1993) 733-745
	Li: an important component in igneous alkali amphiboles
	Locality: Questa caldera, New Mexico
	Sample: A(6), magnesio-ferri-fluor-katophorite
	_database_code_amcsd 0001591
	9.835 17.944 5.297 90 103.97 90 C2/m
	atom x y z occ Biso
	O1 .1119 .0871 .2147 .71
	O2 .1199 .1699 .7291 .82
	O3 .1072 0 .7098 .20 .92
	OH3 .1072 0 .7098 .11 .92
	F .1072 0 .7098 .69 .92
	O4 .3634 .2485 .7952 1.02
	O5 .3482 .1302 .0874 .95
	O6 .3430 .1186 .5852 .92
	O7 .3385 0 .2936 1.03
	SiT1 .2805 .0849 .2937 .974 .49
	AlT1 .2805 .0849 .2937 .026 .49
	SiT2 .2891 .1704 .8013 .974 .51
	AlT2 .2891 .1704 .8013 .026 .51
	MgM1 0 .0892 .5 .635 .64
	Fe3+M1 0 .0892 .5 .110 .64
	TiM1 0 .0892 .5 .020 .64
	MnM1 0 .0892 .5 .235 .64
	MgM2 0 .1808 0 .140 .59
	Fe2+M2 0 .1808 0 .425 .59
	Fe3+M2 0 .1808 0 .425 .59
	ZnM2 0 .1808 0 .010 .59
	LiM3 0 0 0 .160 .76
	MgM3 0 0 0 .550 .76
	Fe2+M3 0 0 0 .160 .76
	Fe3+M3 0 0 0 .060 .76
	MnM3 0 0 0 .070 .76
	NaM4 0 .2761 .5 .64 1.33
	CaM4 0 .2761 .5 .36 1.33
	KA 0 .5 0 .067 7.67
	NaA 0 .5 0 .202 7.67
	KAm .0429 .5 .0958 .055 3.41
	NaAm .0429 .5 .0958 .164 3.41
	KA2 0 .4794 0 .017 4.73
	NaA2 0 .4794 0 .050 4.73
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	Fluoro-ferri-magnesiokatophorite
	Hawthorne F C, Ungaretti L, Oberti R, Bottazzi P, Czamanske G K
	American Mineralogist 78 (1993) 733-745
	Li: an important component in igneous alkali amphiboles
	Locality: Questa caldera, New Mexico
	Sample: A(7), magnesio-ferri-fluor-katophorite
	_database_code_amcsd 0001592
	9.861 18.050 5.288 90 104.22 90 C2/m
	atom x y z occ Biso
	O1 .1120 .0863 .2155 .72
	O2 .1198 .1697 .7277 .76
	OH3 .1061 0 .7112 .20 .92
	F .1061 0 .7112 .80 .92
	O4 .3629 .2485 .7936 1.01
	O5 .3480 .1308 .0887 .98
	O6 .3435 .1181 .5864 .92
	O7 .3397 0 .2922 .96
	SiT1 .2809 .0847 .2945 .963 .47
	AlT1 .2809 .0847 .2945 .037 .47
	SiT2 .2890 .1705 .8014 .963 .49
	AlT2 .2890 .1705 .8014 .037 .49
	MgM1 0 .0892 .5 .715 .59
	Fe3+M1 0 .0892 .5 .035 .59
	TiM1 0 .0892 .5 .020 .59
	MnM1 0 .0892 .5 .230 .59
	MgM2 0 .1804 0 .210 .59
	Fe2+M2 0 .1804 0 .440 .59
	Fe3+M2 0 .1804 0 .290 .59
	MnM2 0 .1804 0 .040 .59
	ZnM2 0 .1804 0 .020 .59
	LiM3 0 0 0 .080 .56
	MgM3 0 0 0 .720 .56
	Fe2+M3 0 0 0 .190 .56
	MnM3 0 0 0 .010 .56
	NaM4 0 .2762 .5 .60 1.20
	CaM4 0 .2762 .5 .36 1.20
	MnM4 0 .2762 .5 .04 1.20
	KA 0 .5 0 .056 7.84
	NaA 0 .5 0 .222 7.84
	KAm .0396 .5 .0948 .044 3.63
	NaAm .0396 .5 .0948 .177 3.63
	KA2 0 .4802 0 .011 3.97
	NaA2 0 .4802 0 .044 3.97
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	Fluor-arfvedsonite
	Hawthorne F C, Ungaretti L, Oberti R, Bottazzi P, Czamanske G K
	American Mineralogist 78 (1993) 733-745
	Li: an important component in igneous alkali amphiboles
	Locality: Questa caldera, New Mexico
	Sample: A(8)
	_database_code_amcsd 0001593
	9.816 18.004 5.325 90 103.72 90 C2/m
	atom x y z occ Biso
	O1 .1113 .0905 .2073 .67
	O2 .1201 .1720 .7365 .70
	O3 .1116 0 .7081 .40 1.00
	F .1116 0 .7081 .60 1.00
	O4 .3653 .2490 .8000 .91
	O5 .3498 .1282 .0811 .89
	O6 .3407 .1203 .5783 .88
	O7 .3340 0 .2979 .94
	SiT1 .2801 .0857 .2906 .985 .48
	AlT1 .2801 .0857 .2906 .015 .48
	SiT2 .2903 .1704 .8012 .985 .47
	AlT2 .2903 .1704 .8012 .015 .47
	MgM1 0 .0906 .5 .100 .61
	Fe2+M1 0 .0906 .5 .680 .61
	MnM1 0 .0906 .5 .220 .61
	Fe2+M2 0 .1826 0 .130 .55
	Fe3+M2 0 .1826 0 .770 .55
	TiM2 0 .1826 0 .050 .55
	ZnM2 0 .1826 0 .050 .55
	LiM3 0 0 0 .360 .62
	Fe2+M3 0 0 0 .410 .62
	MnM3 0 0 0 .230 .62
	NaM4 0 .2776 .5 1.24
	KA 0 .5 0 .095 6.30
	NaA 0 .5 0 .182 6.30
	KAm .0480 .5 .1055 .075 2.96
	NaAm .0480 .5 .1055 .144 2.96
	H .1965 0 .7329 .40 4.79
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	Fluor-arfvedsonite
	Hawthorne F C, Ungaretti L, Oberti R, Bottazzi P, Czamanske G K
	American Mineralogist 78 (1993) 733-745
	Li: an important component in igneous alkali amphiboles
	Locality: Questa caldera, New Mexico
	Sample: A(9)
	_database_code_amcsd 0001594
	9.815 18.016 5.329 90 103.71 90 C2/m
	atom x y z occ Biso
	O1 .1111 .0909 .2071 .67
	O2 .1202 .1721 .7376 .70
	O3 .1119 0 .7082 .30 1.12
	F .1119 0 .7082 .70 1.12
	O4 .3656 .2490 .8001 .86
	O5 .3496 .1283 .0814 .85
	O6 .3404 .1203 .5781 .86
	O7 .3332 0 .2985 .94
	SiT1 .2801 .0858 .2908 .985 .47
	AlT1 .2801 .0858 .2908 .015 .47
	SiT2 .2903 .1704 .8018 .985 .46
	AlT2 .2903 .1704 .8018 .015 .46
	MgM1 0 .0906 .5 .090 .63
	Fe2+M1 0 .0906 .5 .640 .63
	MnM1 0 .0906 .5 .270 .63
	Fe2+M2 0 .1827 0 .100 .56
	Fe3+M2 0 .1827 0 .810 .56
	TiM2 0 .1827 0 .040 .56
	ZnM2 0 .1827 0 .050 .56
	LiM3 0 0 0 .330 .63
	Fe2+M3 0 0 0 .420 .63
	MnM3 0 0 0 .250 .63
	NaM4 0 .2780 .5 1.20
	KA 0 .5 0 .113 8.03
	NaA 0 .5 0 .178 8.03
	KAm .0443 .5 .1041 .072 3.22
	NaAm .0443 .5 .1041 .113 3.22
	H .2020 0 .7780 .30 1.33
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	Fluor-arfvedsonite
	Hawthorne F C, Ungaretti L, Oberti R, Bottazzi P, Czamanske G K
	American Mineralogist 78 (1993) 733-745
	Li: an important component in igneous alkali amphiboles
	Locality: Questa caldera, New Mexico
	Sample: A(10)
	_database_code_amcsd 0001595
	9.858 18.046 5.316 90 103.69 90 C2/m
	atom x y z occ Biso
	O1 .1127 .0881 .2102 .75
	O2 .1206 .1707 .7320 .81
	OH3 .1097 0 .7088 .15 1.11
	F .1097 0 .7088 .85 1.11
	O4 .3640 .2484 .7965 1.11
	O5 .3491 .1278 .0798 .94
	O6 .3421 .1188 .5782 .96
	O7 .3376 0 .2937 .98
	SiT1 .2806 .0851 .2902 .49
	SiT2 .2898 .1700 .7988 .48
	MgM1 0 .0906 .5 .260 .59
	Fe2+M1 0 .0906 .5 .450 .59
	MnM1 0 .0906 .5 .290 .59
	Fe2+M2 0 .1823 0 .470 .57
	Fe3+M2 0 .1823 0 .470 .57
	TiM2 0 .1823 0 .060 .57
	LiM3 0 0 0 .250 .62
	MgM3 0 0 0 .250 .62
	Fe2+M3 0 0 0 .280 .62
	MnM3 0 0 0 .220 .62
	NaM4 0 .2761 .5 .991 1.29
	CaM4 0 .2761 .5 .004 1.29
	MnM4 0 .2761 .5 .005 1.29
	KA 0 .5 0 .043 4.44
	NaA 0 .5 0 .197 4.44
	KAm .0445 .5 .0965 .064 3.53
	NaAm .0445 .5 .0965 .290 3.53
	KA2 0 .4675 0 .004 4.78
	NaA2 0 .4675 0 .020 4.78
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	Fluor-arfvedsonite
	Hawthorne F C, Ungaretti L, Oberti R, Bottazzi P, Czamanske G K
	American Mineralogist 78 (1993) 733-745
	Li: an important component in igneous alkali amphiboles
	Locality: Questa caldera, New Mexico
	Sample: A(11)
	_database_code_amcsd 0001596
	9.859 18.049 5.316 90 103.69 90 C2/m
	atom x y z occ Biso
	O1 .1126 .0884 .2097 .71
	O2 .1207 .1709 .7324 .76
	OH3 .1099 0 .7083 .15 1.07
	F .1099 0 .7083 .85 1.07
	O4 .3643 .2484 .7970 1.05
	O5 .3491 .1278 .0795 .88
	O6 .3419 .1189 .5780 .90
	O7 .3375 0 .2940 1.00
	SiT1 .2805 .0851 .2901 .995 .46
	AlT1 .2805 .0851 .2901 .005 .46
	SiT2 .2898 .1700 .7989 .995 .46
	AlT2 .2898 .1700 .7989 .005 .46
	MgM1 0 .0908 .5 .210 .58
	Fe2+M1 0 .0908 .5 .500 .58
	MnM1 0 .0908 .5 .290 .58
	Fe2+M2 0 .1824 0 .500 .55
	Fe3+M2 0 .1824 0 .440 .55
	TiM2 0 .1824 0 .060 .55
	LiM3 0 0 0 .250 .63
	MgM3 0 0 0 .200 .63
	Fe2+M3 0 0 0 .330 .63
	MnM3 0 0 0 .220 .63
	NaM4 0 .2761 .5 .915 1.35
	CaM4 0 .2761 .5 .03 1.35
	MnM4 0 .2761 .5 .055 1.35
	KA 0 .5 0 .039 4.39
	NaA 0 .5 0 .205 4.39
	KAm .0440 .5 .0981 .056 3.34
	NaAm .0440 .5 .0981 .294 3.34
	KA2 0 .4694 0 .004 2.49
	NaA2 0 .4694 0 .020 2.49
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	Arfvedsonite
	Hawthorne F C, Ungaretti L, Oberti R, Bottazzi P, Czamanske G K
	American Mineralogist 78 (1993) 733-745
	Li: an important component in igneous alkali amphiboles
	Locality: Questa caldera, New Mexico
	Sample: A(12)
	_database_code_amcsd 0001597
	9.840 18.036 5.365 90 104.05 90 C2/m
	atom x y z occ Biso
	O1 .1111 .0903 .2079 .72
	O2 .1202 .1720 .7349 .71
	O3 .1112 0 .7076 .60 1.00
	F .1112 0 .7076 .40 1.00
	O4 .3649 .2488 .7986 .94
	O5 .3488 .1283 .0798 .93
	O6 .3405 .1200 .5781 .91
	O7 .3341 0 .2970 1.00
	SiT1 .2801 .0857 .2902 .978 .46
	AlT1 .2801 .0857 .2902 .022 .46
	SiT2 .2899 .1705 .8002 .978 .49
	AlT2 .2899 .1705 .8002 .022 .49
	MgM1 0 .0908 .5 .110 .60
	Fe2+M1 0 .0908 .5 .720 .60
	MnM1 0 .0908 .5 .170 .60
	Fe2+M2 0 .1829 0 .290 .57
	Fe3+M2 0 .1829 0 .650 .57
	TiM2 0 .1829 0 .040 .57
	ZnM2 0 .1829 0 .020 .57
	LiM3 0 0 0 .170 .59
	MgM3 0 0 0 .090 .59
	Fe2+M3 0 0 0 .500 .59
	MnM3 0 0 0 .240 .59
	NaM4 0 .2770 .5 .935 1.42
	CaM4 0 .2770 .5 .04 1.42
	FeM4 0 .2770 .5 .025 1.42
	KA 0 .5 0 .083 9.90
	NaA 0 .5 0 .203 9.90
	KAm .0476 .5 .1147 .070 2.48
	NaAm .0476 .5 .1147 .171 2.48
	H .1983 0 .7472 .60 1.61
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	Arfvedsonite
	Hawthorne F C, Ungaretti L, Oberti R, Bottazzi P, Czamanske G K
	American Mineralogist 78 (1993) 733-745
	Li: an important component in igneous alkali amphiboles
	Sample: A(13)
	_database_code_amcsd 0001598
	9.986 18.042 5.314 90 103.92 90 C2/m
	atom x y z occ Biso
	O1 .1101 .0913 .2077 .78
	O2 .1202 .1726 .7332 .84
	O3 .1082 0 .7081 .85 .99
	F .1082 0 .7081 .15 .99
	O4 .3640 .2475 .7992 1.02
	O5 .3449 .1268 .0804 .86
	O6 .3376 .1183 .5814 .92
	O7 .3276 0 .2972 1.03
	SiT1 .2750 .0860 .2909 .991 .55
	AlT1 .2750 .0860 .2909 .009 .55
	SiT2 .2867 .1708 .7998 .991 .55
	AlT2 .2867 .1708 .7998 .009 .55
	MgM1 0 .0909 .5 .020 .73
	Fe2+M1 0 .0909 .5 .980 .73
	Fe2+M2 0 .1839 0 .340 .59
	Fe3+M2 0 .1839 0 .600 .59
	TiM2 0 .1839 0 .030 .59
	ZnM2 0 .1839 0 .010 .59
	AlM2 0 .1839 0 .020 .59
	LiM3 0 0 0 .220 .68
	Fe2+M3 0 0 0 .640 .68
	MnM3 0 0 0 .140 .68
	NaM4 0 .2778 .5 .975 1.36
	CaM4 0 .2778 .5 .025 1.36
	KA 0 .5 0 .377 3.19
	NaA 0 .5 0 .203 3.19
	KAm .0386 .5 .0937 .059 3.24
	NaAm .0386 .5 .0937 .032 3.24
	KA2 0 .4700 0 .013 3.00
	NaA2 0 .4700 0 .007 3.00
	H .1870 0 .7480 .85 .82
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	Ferropargasite
	Oberti R, Ungaretti L, Cannillo E, Hawthorne F C
	American Mineralogist 78 (1993) 746-752
	The mechanism of Cl incorporation in amphibole
	Sample: Cl(0)
	Locality: Nuptse Glacier moraine, Everest Massif, Nepal
	_database_code_amcsd 0001599
	9.895 18.119 5.332 90 105.17 90 C2/m
	atom x y z occ Biso
	NaA 0 .5 0 .10 2.20
	KA 0 .5 0 .13 2.20
	NaAm .0336 .5 .0734 .05 1.74
	KAm .0336 .5 .0734 .06 1.74
	NaA2 0 .4714 0 .05 4.05
	KA2 0 .4714 0 .06 4.05
	Ca4 0 .2808 .5 .97 .75
	Na4 0 .2808 .5 .03 .75
	Mg1 0 .0897 .5 .46 .58
	Fe1 0 .0897 .5 .54 .58
	Mg2 0 .1780 0 .27 .50
	Fe2 0 .1780 0 .51 .50
	Al2 0 .1780 0 .19 .50
	Ti2 0 .1780 0 .03 .50
	Mg3 0 0 0 .34 .53
	Fe3 0 0 0 .66 .53
	Si1 .2791 .0860 .3026 .52 .45
	Al1 .2791 .0860 .3026 .48 .45
	Si2 .2911 .1732 .8140 .46
	O1 .1051 .0911 .2141 .79
	O2 .1199 .1756 .7358 .70
	F3 .1097 0 .7120 .13 .84
	Oh3 .1097 0 .7120 .87 .84
	O4 .3686 .2499 .7924 .82
	O5 .3490 .1392 .1087 .87
	O6 .3426 .1195 .6046 .91
	O7 .3336 0 .2887 1.21
	H .1579 0 .7603 .87 1.53
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	Potassic-chlorohastingsite
	Oberti R, Ungaretti L, Cannillo E, Hawthorne F C
	American Mineralogist 78 (1993) 746-752
	The mechanism of Cl incorporation in amphibole
	Sample: Cl(1)
	Locality: Sesia-Lanzo marble, Western Alps, Italy
	_database_code_amcsd 0001600
	9.884 18.143 5.332 90 104.86 90 C2/m
	atom x y z occ Biso
	NaA 0 .5 0 .15 4.58
	KA 0 .5 0 .12 4.58
	NaAm .0412 .5 .0945 .08 4.66
	KAm .0412 .5 .0945 .06 4.66
	NaA2 0 .4614 0 .08 3.00
	KA2 0 .4614 0 .06 3.00
	Mg1 0 .0921 .5 .35 .69
	Fe1 0 .0921 .5 .65 .69
	Mg2 0 .1787 0 .38 .60
	Fe2 0 .1787 0 .44 .60
	Al2 0 .1787 0 .16 .60
	Ti2 0 .1787 0 .02 .60
	Mg3 0 0 0 .26 .73
	Fe3 0 0 0 .74 .73
	Ca4 0 .2796 .5 .87 .93
	Na4 0 .2796 .5 .10 .93
	Mg4 0 .2796 .5 .02 .93
	Fe4 0 .2796 .5 .01 .93
	Si1 .2789 .0854 .2996 .61 .52
	Al1 .2789 .0854 .2996 .39 .52
	Si2 .2909 .1729 .8100 .53
	O1 .1062 .0903 .2139 .89
	O2 .1210 .1754 .7343 .84
	Cl3 .1061 0 .7076 .28 1.03
	F3 .1061 0 .7076 .13 1.03
	OH3 .1061 0 .7076 .58 1.03
	O3' .1596 0 .7332 1.64
	O4 .3679 .2495 .7944 .90
	O5 .3484 .1363 .1007 .96
	O6 .3426 .1201 .5978 1.02
	O7 .3359 0 .2911 1.22
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	Potassic-chlorohastingsite
	Oberti R, Ungaretti L, Cannillo E, Hawthorne F C
	American Mineralogist 78 (1993) 746-752
	The mechanism of Cl incorporation in amphibole
	Sample: Cl(2)
	Locality: Sesia-Lanzo marble, Western Alps, Italy
	_database_code_amcsd 0001601
	9.922 18.219 5.360 90 104.81 90 C2/m
	atom x y z occ Biso
	NaA 0 .5 0 .12 2.75
	KA 0 .5 0 .18 2.75
	NaAm .0344 .5 .0707 .06 3.38
	KAm .0344 .5 .0707 .09 3.38
	NaA2 0 .4645 0 .06 4.72
	KA2 0 .4645 0 .09 4.72
	Mg1 0 .0944 .5 .18 .73
	Fe1 0 .0944 .5 .82 .73
	Mg2 0 .1792 0 .31 .59
	Fe2 0 .1792 0 .51 .59
	Al2 0 .1792 0 .17 .59
	Ti2 0 .1792 0 .01 .59
	Mg3 0 0 0 .08 .71
	Fe3 0 0 0 .92 .71
	Ca4 0 .2806 .5 .93 .85
	Na4 0 .2806 .5 .07 .85
	Si1 .2779 .0861 .3006 .54 .49
	Al1 .2779 .0861 .3006 .46 .49
	Si2 .2911 .1735 .8113 .54
	O1 .1039 .0915 .2131 .86
	O2 .1215 .1777 .7365 .80
	Cl3 .1031 0 .7021 .49 .93
	F3 .1031 0 .7021 .07 .93
	OH3 .1031 0 .7021 .44 .93
	O3' .1611 0 .7337 1.22
	O4 .3690 .2499 .7947 .92
	O5 .3474 .1363 .0985 .89
	O6 .3423 .1220 .5977 1.01
	O7 .3338 0 .2977 1.33
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	Preiswerkite
	Oberti R, Ungaretti L, Tlili A, Smith D C, Robert J-L
	American Mineralogist 78 (1993) 1290-1298
	The crystal structure of preiswerkite
	Sample: KP9
	_database_code_amcsd 0001620
	5.225 9.050 9.791 90 100.27 90 C2/m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	SiT .5709 .1666 .2126 .5 .0034 .0016 .0014 .0000 .0004 .0000
	AlT .5709 .1666 .2126 .5 .0034 .0016 .0014 .0000 .0004 .0000
	Mg1 0 .5 .5 .85 .0032 .0022 .0025 0 .0006 0
	Al1 0 .5 .5 .15 .0032 .0022 .0025 0 .0006 0
	Mg2 0 .8291 .5 .5 .0061 .0016 .0017 0 .0002 0
	Al2 0 .8291 .5 .5 .0061 .0016 .0017 0 .0002 0
	Na 0 0 0 .85 .0107 .0042 .0032 0 .0014 0
	O1 .8546 .1971 .1593 .0068 .0009 .0026 .0012 .0013 -.0003
	O2 .4487 0 .1598 .0029 .0010 .0032 0 .0021 0
	O3 .6285 .1685 .3918 .0111 .0024 .0017 .0003 -.0005 .0008
	Oh4 .1335 0 .3970 .0122 .0070 .0023 0 .0012 0
	H .0749 0 .3042 1.00
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	Preiswerkite
	Oberti R, Ungaretti L, Tlili A, Smith D C, Robert J-L
	American Mineralogist 78 (1993) 1290-1298
	The crystal structure of preiswerkite
	Sample: KP17
	_database_code_amcsd 0001621
	5.228 9.049 9.819 90 100.41 90 C2/m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	SiT .5740 .1672 .2139 .5 .0052 .0017 .0005 -.0002 .0003 -.0001
	AlT .5740 .1672 .2139 .5 .0052 .0017 .0005 -.0002 .0003 -.0001
	Mg1 0 .5 .5 .85 .0040 .0011 .0007 0 .0004 0
	Al1 0 .5 .5 .15 .0040 .0011 .0007 0 .0004 0
	Mg2 0 .8302 .5 .5 .0049 .0016 .0006 0 .0004 0
	Al2 0 .8302 .5 .5 .0049 .0016 .0006 0 .0004 0
	Na 0 0 0 .85 .0190 .0060 .0010 0 .0007 0
	O1 .8559 .1989 .1584 .0094 .0036 .0008 .0002 .0011 -.0001
	O2 .4530 0 .1651 .0105 .0024 .0007 0 .0004 0
	O3 .6348 .1703 .3905 .0094 .0024 .0007 -.0003 -.0001 .0003
	Oh4 .1252 0 .3989 .0071 .0073 .0004 0 -.0001 0
	H .0831 0 .2950 1.00
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	Leakeite
	Hawthorne F C, Ungaretti L, Oberti R, Cannillo E
	American Mineralogist 79 (1994) 443-451
	The mechanism of Li incorporation in amphiboles
	Sample: A1
	_database_code_amcsd 0001655
	9.748 17.842 5.287 90 104.12 90 C2/m
	atom x y z occ Biso
	Si1 .2811 .0857 .2929 .41
	Si2 .2889 .1710 .7998 .42
	Mg1 0 .0823 .5 .57 .72
	Al1 0 .0823 .5 .025 .72
	Ti1 0 .0823 .5 .205 .72
	Fe1 0 .0823 .5 .13 .72
	Mn1 0 .0823 .5 .07 .72
	Mg2 0 .1796 0 .415 .48
	Al2 0 .1796 0 .045 .48
	Fe2 0 .1796 0 .35 .48
	Mn2 0 .1796 0 .19 .48
	Li3 0 0 0 .67 .69
	Mg3 0 0 0 .33 .69
	Na4 0 .2751 .5 .95 1.17
	Ca4 0 .2751 .5 .05 1.17
	NaA 0 .5 0 .16 6.5
	KA 0 .5 0 .03 6.5
	NaAm .0508 .5 .1091 .16 2.87
	KAm .0508 .5 .1091 .03 2.87
	NaA2 0 .4680 0 .16 4.68
	KA2 0 .4680 0 .03 4.68
	H .1867 0 .7577 .485 2.65
	O1 .1115 .0886 .2159 .63
	O2 .1178 .1668 .7270 .60
	O3 .1104 0 .6965 .41 .76
	Oh3 .1104 0 .6965 .485 .76
	F3 .1104 0 .6965 .105 .76
	O4 .3605 .2508 .8018 .80
	O5 .3500 .1280 .0816 .74
	O6 .3456 .1198 .5823 .73
	O7 .3394 0 .2979 .84
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	Leakeite
	Hawthorne F C, Ungaretti L, Oberti R, Cannillo E
	American Mineralogist 79 (1994) 443-451
	The mechanism of Li incorporation in amphiboles
	Sample: A2
	_database_code_amcsd 0001656
	9.790 17.848 5.287 90 104.10 90 C2/m
	atom x y z occ Biso
	Si1 .2785 .0862 .2934 .99 .43
	Al1 .2785 .0862 .2934 .01 .43
	Si2 .2889 .1712 .8023 .99 .43
	Al2 .2889 .1712 .8023 .01 .43
	Mg1 0 .0865 .5 .83 .54
	Al1 0 .0865 .5 .04 .54
	Fe1 0 .0865 .5 .10 .54
	Mn1 0 .0865 .5 .03 .54
	Mg2 0 .1796 0 .16 .48
	Al2 0 .1796 0 .05 .48
	Fe2 0 .1796 0 .61 .48
	Mn2 0 .1796 0 .18 .48
	Li3 0 0 0 .74 .79
	Mg3 0 0 0 .26 .79
	Na4 0 .2764 .5 .98 1.14
	Ca4 0 .2764 .5 .02 1.14
	NaA 0 .5 0 .15 3.01
	KA 0 .5 0 .04 3.01
	NaAm .0480 .5 .1028 .15 2.28
	KAm .0480 .5 .1028 .04 2.28
	NaA2 0 .4744 0 .15 4.87
	KA2 0 .4744 0 .04 4.87
	H .1826 0 .7335 .64 2.55
	O1 .1102 .0905 .2146 .65
	O2 .1186 .1694 .7315 .66
	O3 .1115 0 .7002 .11 .96
	Oh3 .1115 0 .7002 .64 .96
	F3 .1115 0 .7002 .24 .96
	O4 .3632 .2504 .8018 .81
	O5 .3497 .1285 .0851 .77
	O6 .3435 .1192 .5845 .73
	O7 .3348 0 .2963 .93
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	Leakeite
	Hawthorne F C, Ungaretti L, Oberti R, Cannillo E
	American Mineralogist 79 (1994) 443-451
	The mechanism of Li incorporation in amphiboles
	Sample: A3
	Note: Site occupancies are set to be the same as ones in sample A2
	_database_code_amcsd 0001657
	9.822 17.836 5.286 90 104.37 90 C2/m
	atom x y z occ Biso
	Si1 .2780 .0862 .2944 .99 .46
	Al1 .2780 .0862 .2944 .01 .46
	Si2 .2883 .1712 .8018 .99 .45
	Al2 .2883 .1712 .8018 .01 .45
	Mg1 0 .0848 .5 .83 .70
	Al1 0 .0848 .5 .04 .70
	Fe1 0 .0848 .5 .10 .70
	Mn1 0 .0848 .5 .03 .70
	Mg2 0 .1796 0 .16 .50
	Al2 0 .1796 0 .05 .50
	Fe2 0 .1796 0 .61 .50
	Mn2 0 .1796 0 .18 .50
	Li3 0 0 0 .74 .69
	Mg3 0 0 0 .26 .69
	Na4 0 .2763 .5 .98 1.21
	Ca4 0 .2763 .5 .02 1.21
	NaA 0 .5 0 .15 4.51
	KA 0 .5 0 .04 4.51
	NaAm .0399 .5 .0930 .15 2.81
	KAm .0399 .5 .0930 .04 2.81
	NaA2 0 .4766 0 .15 4.14
	KA2 0 .4766 0 .04 4.14
	H .1845 0 .7705 .64 3.11
	O1 .1100 .0905 .2154 .71
	O2 .1184 .1685 .7284 .76
	O3 .1110 0 .6975 .11 .91
	Oh3 .1110 0 .6975 .64 .91
	F3 .1110 0 .6975 .24 .91
	O4 .3623 .2504 .8027 .89
	O5 .3486 .1281 .0850 .74
	O6 .3436 .1193 .5854 .74
	O7 .3338 0 .2983 .94
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	Ferri-eckermannite
	Hawthorne F C, Ungaretti L, Oberti R, Cannillo E
	American Mineralogist 79 (1994) 443-451
	The mechanism of Li incorporation in amphiboles
	Sample: A4
	Note: Site occupancies are set to be the same as ones in sample A5
	_database_code_amcsd 0001658
	9.771 17.887 5.289 90 103.82 90 C2/m
	atom x y z occ Biso
	Si1 .2805 .0857 .2930 .99 .39
	Al1 .2805 .0857 .2930 .01 .39
	Si2 .2885 .1714 .8017 .99 .40
	Al2 .2885 .1714 .8017 .01 .40
	Mg1 0 .0882 .5 .93 .52
	All 0 .0882 .5 .04 .52
	Fe1 0 .0882 .5 .027 .52
	Mn1 0 .0882 .5 .003 .52
	Mg2 0 .1809 0 .36 .47
	Ti2 0 .1809 0 .02 .47
	Fe2 0 .1809 0 .56 .47
	Mn2 0 .1809 0 .06 .47
	Li3 0 0 0 .24 .54
	Mg3 0 0 0 .76 .54
	Na4 0 .2765 .5 .95 1.09
	Ca4 0 .2765 .5 .05 1.09
	NaA 0 .5 0 .11 5.08
	KA 0 .5 0 .04 5.08
	NaAm .0478 .5 .1035 .11 2.93
	KAm .0478 .5 .1035 .04 2.93
	NaA2 0 .4678 0 .11 4.52
	KA2 0 .4678 0 .04 4.52
	H .1891 0 .7547 4.13
	O1 .1112 .0881 .2137 .54
	O2 .1182 .1695 .7326 .57
	Oh3 .1089 0 .7083 .79 .76
	F3 .1089 0 .7083 .21 .76
	O4 .3629 .2504 .7997 .74
	O5 .3493 .1295 .0848 .75
	O6 .3425 .1195 .5833 .71
	O7 .3370 0 .2957 .83
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	Ferri-eckermannite
	Hawthorne F C, Ungaretti L, Oberti R, Cannillo E
	American Mineralogist 79 (1994) 443-451
	The mechanism of Li incorporation in amphiboles
	Sample: A5
	_database_code_amcsd 0001659
	9.779 17.888 5.287 90 103.85 90 C2/m
	atom x y z occ Biso
	Si1 .2802 .0857 .2932 .99 .40
	Al1 .2802 .0857 .2932 .01 .40
	Si2 .2884 .1713 .8016 .99 .42
	Al2 .2884 .1713 .8016 .01 .42
	Mg1 0 .0877 .5 .93 .56
	Al1 0 .0877 .5 .04 .56
	Fe1 0 .0877 .5 .027 .56
	Mn1 0 .0877 .5 .003 .56
	Mg2 0 .1807 0 .36 .47
	Ti2 0 .1807 0 .02 .47
	Fe2 0 .1807 0 .56 .47
	Mn2 0 .1807 0 .06 .47
	Li3 0 0 0 .24 .55
	Mg3 0 0 0 .76 .55
	Na4 0 .2764 .5 .95 1.07
	Ca4 0 .2764 .5 .05 1.07
	NaA 0 .5 0 .11 4.36
	KA 0 .5 0 .04 4.36
	NaAm .0479 .5 .1014 .11 2.81
	KAm .0479 .5 .1014 .04 2.81
	NaA2 0 .4654 0 .11 3.85
	KA2 0 .4654 0 .04 3.85
	H .1739 0 .7437 1.58
	O1 .1111 .0882 .2142 .55
	O2 .1182 .1693 .7318 .60
	Oh3 .1091 0 .7075 .79 .77
	F3 .1091 0 .7075 .21 .77
	O4 .3627 .2503 .7996 .77
	O5 .3492 .1294 .0849 .74
	O6 .3426 .1193 .5836 .72
	O7 .3369 0 .2956 .85
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	Fluorocannilloite
	Hawthorne F C, Oberti R, Ungaretti L, Grice J D
	American Mineralogist 81 (1996) 995-1002
	A new hyper-calcic amphibole with Ca at the A site: Fluor-cannilloite from
	Pargas, Finland
	Sample: C1
	_database_code_amcsd 0001823
	9.816 17.899 5.297 90 105.35 90 C2/m
	atom x y z occ Biso
	O1 .1057 .0875 .2156 .81
	O2 .1197 .1730 .7367 .70
	OH3 .1076 0 .7149 .27 .98
	F3 .1076 0 .7149 .73 .98
	O4 .3674 .2517 .7895 .92
	O5 .3532 .1413 .1149 1.01
	O6 .3457 .1167 .6142 1.08
	O7 .3451 0 .2755 1.21
	Si1 .2819 .0855 .3044 .57 .50
	Al1 .2819 .0855 .3044 .43 .50
	Si2 .2919 .1737 .8156 .50
	Mg1 0 .0894 .5 .94 .58
	Fe1 0 .0894 .5 .06 .58
	Mg2 0 .1753 0 .49 .56
	Al2 0 .1753 0 .39 .56
	Ti2 0 .1753 0 .01 .56
	Fe2 0 .1753 0 .11 .56
	Mg3 0 0 0 .93 .58
	Fe3 0 0 0 .07 .58
	Ca4 0 .2795 .5 .97 .71
	Mn4 0 .2795 .5 .02 .71
	Fe4 0 .2795 .5 .01 .71
	Ca4' 0 .2657 .5 .97 2.66
	Mn4' 0 .2657 .5 .02 2.66
	Fe4' 0 .2657 .5 .01 2.66
	NaA 0 .5 0 .14 4.90
	KA 0 .5 0 .01 4.90
	CaA 0 .5 0 .17 4.90
	NaAm .0515 .5 .1089 .14 3.76
	KAm .0515 .5 .1089 .01 3.76
	CaAm .0515 .5 .1089 .17 3.76
	NaA2 0 .4675 0 .14 1.98
	KA2 0 .4675 0 .01 1.98
	CaAm 0 .4675 0 .17 1.98
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	Fluorocannilloite
	Hawthorne F C, Oberti R, Ungaretti L, Grice J D
	American Mineralogist 81 (1996) 995-1002
	A new hyper-calcic amphibole with Ca at the A site: Fluor-cannilloite from
	Pargas, Finland
	Sample: C2
	_database_code_amcsd 0001824
	9.826 17.906 5.301 90 105.41 90 C2/m
	atom x y z occ Biso
	O1 .1053 .0878 .2153 .78
	O2 .1194 .1732 .7371 .67
	OH3 .1072 0 .7149 .23 .95
	F3 .1072 0 .7149 .77 .95
	O4 .3675 .2518 .7899 .89
	O5 .3531 .1415 .1153 .94
	O6 .3457 .1167 .6156 1.04
	O7 .3448 0 .2766 1.23
	Si1 .2815 .0857 .3049 .41 .48
	Al1 .2815 .0857 .3049 .59 .48
	Si2 .2918 .1738 .8163 .46
	Mg1 0 .0895 .5 .93 .56
	Fe1 0 .0895 .5 .07 .56
	Mg2 0 .1753 0 .47 .51
	Al2 0 .1753 0 .41 .51
	Ti2 0 .1753 0 .01 .51
	Fe2 0 .1753 0 .11 .51
	Mg3 0 0 0 .92 .55
	Fe3 0 0 0 .08 .55
	Ca4 0 .2797 .5 .96 .69
	Mn4 0 .2797 .5 .02 .69
	Fe4 0 .2797 .5 .02 .69
	Ca4' 0 .2655 .5 .93 1.14
	Mn4' 0 .2655 .5 .02 1.14
	Fe4' 0 .2655 .5 .02 1.14
	NaA 0 .5 0 .11 5.39
	KA 0 .5 0 .04 5.39
	CaA 0 .5 0 .16 5.39
	NaAm .0576 .5 .1212 .11 1.40
	KAm .0576 .5 .1212 .04 1.40
	CaAm .0576 .5 .1212 .16 1.40
	NaA2 0 .4680 0 .11 2.72
	KA2 0 .4680 0 .04 2.72
	CaA2 0 .4680 0 .16 2.72
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	Fluorocannilloite
	Hawthorne F C, Oberti R, Ungaretti L, Grice J D
	American Mineralogist 81 (1996) 995-1002
	A new hyper-calcic amphibole with Ca at the A site: Fluor-cannilloite from
	Pargas, Finland
	Sample: C3
	_database_code_amcsd 0001825
	9.836 17.921 5.306 90 105.40 90 C2/m
	atom x y z occ Biso
	O1 .1053 .0880 .2154 .81
	O2 .1194 .1733 .7373 .70
	OH3 .1075 0 .7152 .33 .93
	F3 .1075 0 .7152 .67 .93
	O4 .3675 .2519 .7896 .89
	O5 .3531 .1414 .1153 .93
	O6 .3454 .1168 .6156 1.04
	O7 .3444 0 .2773 1.26
	Si1 .2814 .0857 .3050 .42 .48
	Al1 .2814 .0857 .3050 .58 .48
	Si2 .2919 .1738 .8165 .46
	Mg1 0 .0896 .5 .92 .55
	Fe1 0 .0896 .5 .08 .55
	Mg2 0 .1754 0 .45 .51
	Al2 0 .1754 0 .42 .51
	Ti2 0 .1754 0 .01 .51
	Fe2 0 .1754 0 .12 .51
	Mg3 0 0 0 .92 .55
	Fe3 0 0 0 .08 .55
	Ca4 0 .2800 .5 .97 .61
	Mn4 0 .2800 .5 .03 .61
	Ca4' 0 .2692 .5 .97 1.16
	Mn4' 0 .2692 .5 .03 1.16
	NaA 0 .5 0 .12 6.29
	KA 0 .5 0 .05 6.29
	CaA 0 .5 0 .16 6.29
	NaAm .0521 .5 .1107 .12 2.97
	KAm .0521 .5 .1107 .05 2.97
	CaAm .0521 .5 .1107 .16 2.97
	NaA2 0 .4675 0 .12 1.71
	KA2 0 .4675 0 .05 1.71
	CaA2 0 .4675 0 .16 1.71
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	Pargasite
	Hawthorne F C, Oberti R, Ungaretti L, Grice J D
	American Mineralogist 81 (1996) 995-1002
	A new hyper-calcic amphibole with Ca at the A site: Fluor-cannilloite from
	Pargas, Finland
	Sample: BMS
	_database_code_amcsd 0001826
	9.889 17.978 5.298 90 105.41 90 C2/m
	atom x y z occ Biso
	O1 .1064 .0872 .2179 .74
	O2 .1193 .1726 .7323 .70
	Oh3 .1056 0 .7143 .23 .79
	F3 .1056 0 .7143 .77 .79
	O4 .3660 .2508 .7916 .90
	O5 .3503 .1394 .1121 1.0
	O6 .3453 .1175 .6110 1.0
	O7 .3411 0 .2871 1.24
	Si1 .2798 .0855 .3051 .53 .49
	Al1 .2798 .0855 .3051 .47 .49
	Si2 .2903 .1733 .8141 .52
	Mg1 0 .0892 .5 .53
	Mg2 0 .1756 0 .71 .52
	Al2 0 .1756 0 .18 .52
	Ti2 0 .1756 0 .02 .52
	Fe2 0 .1756 0 .09 .52
	Mg3 0 0 0 .90 .56
	Fe3 0 0 0 .02 .56
	Al3 0 0 0 .08 .56
	Ca4 0 .2796 .5 .74
	NaA 0 .5 0 .15 .91
	KA 0 .5 0 .13 .91
	CaA 0 .5 0 .05 .91
	NaAm .0321 .5 .0681 .15 2.99
	KAm .0321 .5 .0681 .13 2.99
	CaAm .0321 .5 .0681 .05 2.99
	NaA2 0 .4729 0 .15 2.77
	KAm 0 .4729 0 .13 2.77
	CaA2 0 .4729 0 .05 2.77
	H .1688 0 .6402 7.9
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	Pyrope
	Merli M, Ungaretti L, Oberti R
	American Mineralogist 85 (2000) 532-542
	Leverage analysis and structure refinement of minerals
	Sample: from Dora Maira 3
	_database_code_amcsd 0002417
	11.4573 11.4573 11.4573 90 90 90 Ia-3d
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Mg .125 0 .25 .00490 .01063 .01063 0 0 .00281
	Al 0 0 0 .00377 .00377 .00377 .00001 .00001 .00001
	Si .375 0 .25 .00304 .00354 .00354 0 0 0
	O .0330 .0503 .6533 .00551 .00674 .00443 .00078 -.00118 -.00017
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	Tremolite
	Merli M, Ungaretti L, Oberti R
	American Mineralogist 85 (2000) 532-542
	Leverage analysis and structure refinement of minerals
	Sample: from Val Tremola 9527
	_database_code_amcsd 0002418
	9.8359 18.0450 5.2752 90 104.750 90 C2/m
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	SiT1 .2806 .0839 .2972 .00421 .00403 .00460 -.00037 .00105 -.00017
	SiT2 .2884 .1711 -.1953 .00423 .00464 .00443 -.00078 .00124 -.00018
	MgM1 0 .0878 .5 .00656 .00535 .00577 0 .00191 0
	MgM2 0 .1765 0 .00608 .00557 .00628 0 .00190 0
	MgM3 0 0 0 .00656 .00491 .00576 0 .00125 0
	CaM4 0 .2780 .5 .00970 .00605 .01011 0 .00610 0
	H .196 0 .764 .00015
	O1 .1119 .0857 .2180 .00447 .00607 .00649 -.00030 .00117 -.00019
	O2 .1187 .1709 .7244 .00459 .00722 .00646 -.00037 .00140 -.00045
	O3 .1085 0 .7155 .00834 .00656 .00733 0 .00218 0
	O4 .1351 .2519 .2069 .00872 .00579 .00860 -.00276 .00313 -.00083
	O5 .3466 .1344 .1005 .00664 .00921 .00646 -.00065 .00165 .00271
	O6 .3440 .1188 .5891 .00680 .00878 .00592 .00016 .00139 -.00256
	O7 .3377 0 .2928 .00787 .00407 .01318 0 .00294 0
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	Peprossiite-(Ce)
	Callegari A, Caucia F, Mazzi F, Oberti R, Ottolini L, Ungaretti L
	American Mineralogist 85 (2000) 586-593
	The crystal structure of peprossiite-(Ce), and anhydrous REE and Al mica-like borate
	with square-pyramidal coordination for Al
	Sample: Pep1
	_database_code_amcsd 0002424
	4.612 4.612 9.374 90 90 120 P-62m
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	PrM2 0 0 0 .818 .0122 .0122 .0083 .0061 0 0
	CaM2 0 0 0 .102 .0122 .0122 .0083 .0061 0 0
	AlM1 .3889 0 .5 2/3 .0046 .0048 .0060 .0024 0 0
	BT 1/3 2/3 .2202 .967 .0078 .0078 .0059 .0039 0 0
	SiT 1/3 2/3 .2202 .033 .0078 .0078 .0059 .0039 0 0
	O1 1/3 2/3 .3754 .0092 .0092 .0054 .0046 0 0
	O2 .4215 0 .1612 .0131 .0072 .0087 .0036 -.0030 0
	O3 0 0 .5 2/3 .0046 .0046 .0086 .0023 0 0
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	Peprossiite-(Ce)
	Callegari A, Caucia F, Mazzi F, Oberti R, Ottolini L, Ungaretti L
	American Mineralogist 85 (2000) 586-593
	The crystal structure of peprossiite-(Ce), and anhydrous REE and Al mica-like
	borate with square-pyramidal coordination for Al
	Sample: Pep2
	_database_code_amcsd 0002425
	4.596 4.596 9.309 90 90 120 P-62m
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	LaM2 0 0 0 .785 .0084 .0084 .0086 .0042 0 0
	ThM2 0 0 0 .215 .0084 .0084 .0086 .0042 0 0
	AlM1 .3889 0 .5 2/3 .0056 .0044 .0096 .0022 0 0
	BT 1/3 2/3 .2196 .0052 .0052 .0082 .0026 0 0
	O1 1/3 2/3 .3744 .0090 .0090 .0078 .0045 0 0
	O2 .4180 0 .1592 .0101 .0034 .0149 .0017 -.0020 0
	O3 0 0 .5 2/3 .0030 .0030 .0141 .0015 0 0
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	Olivine
	Merli M, Oberti R, Caucia F, Ungaretti L
	American Mineralogist 86 (2001) 55-65
	Determination of site population in olivine: Warnings on X-ray data
	treatment and refinement
	Sample: F-refinement using CRYSTALS, the "best" model
	Fo92Fa08
	_database_code_amcsd 0002600
	4.7579 10.2151 5.9890 90 90 90 Pbnm
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Mg1 0 0 0 .92 .00473 .00639 .00506 -.00015 -.00060 -.00109
	Fe1 0 0 0 .08 .00473 .00639 .00506 -.00015 -.00060 -.00109
	Mg2 .9901 .2776 .25 .92 .00618 .00431 .00596 .00016 0 0
	Fe2 .9901 .2776 .25 .08 .00618 .00431 .00596 .00016 0 0
	Si .4267 .0943 .25 .00309 .00374 .00447 .00011 0 0
	O1 .7659 .0917 .25 .00361 .00651 .00605 .00013 0 0
	O2 .2208 .4475 .25 .00551 .00385 .00647 -.00008 0 0
	O3 .2781 .1633 .0333 .00545 .00620 .00573 .00028 -.00015 .00156
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	Olivine
	Oberti R, Caucia F, Ungaretti L
	American Mineralogist 86 (2001) 55-65
	Determination of site population in olivine: Warnings on X-ray data
	treatment and refinement
	Sample: F**2-refinement using CRYSTALS
	Fo92Fa08
	_database_code_amcsd 0002601
	4.7579 10.2151 5.9890 90 90 90 Pbnm
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Mg1 0 0 0 .92 .00473 .00632 .00511 .00018 -.00065 -.00107
	Fe1 0 0 0 .08 .00473 .00632 .00511 .00018 -.00065 -.00107
	Mg2 .9901 .2776 .25 .92 .00619 .00422 .00595 .00010 0 0
	Fe2 .9901 .2776 .25 .08 .00619 .00422 .00595 .00010 0 0
	Si .4267 .0943 .25 .00308 .00375 .00452 .00014 0 0
	O1 .7661 .0918 .25 .00357 .00658 .00599 .00023 0 0
	O2 .2208 .4475 .25 .00554 .00388 .00655 .00002 0 0
	O3 .2781 .1633 .0333 .00547 .00624 .00565 .00032 -.00020 .00150
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	Olivine
	Merli M, Oberti R, Caucia F, Ungaretti L
	American Mineralogist 86 (2001) 55-65
	Determination of site population in olivine: Warnings on X-ray data
	treatment and refinement
	Sample: F**2-refinement using SHELX-97
	Fo92Fa08
	_database_code_amcsd 0002602
	4.7579 10.2151 5.9890 90 90 90 Pbnm
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Mg1 0 0 0 .92 .00476 .00643 .00511 -.00014 -.00064 -.00110
	Fe1 0 0 0 .08 .00476 .00643 .00511 .00014 -.00064 -.00110
	Mg2 .9901 .2776 .25 .93 .00621 .00433 .00599 .00014 0 0
	Fe2 .9901 .2776 .25 .07 .00621 .00433 .00599 .00014 0 0
	Si .4267 .0943 .25 .00314 .00379 .00450 .00010 0 0
	O1 .7661 .0917 .25 .00361 .00649 .00603 .00011 0 0
	O2 .2208 .4475 .25 .00554 .00385 .00645 -.00010 0 0
	O3 .2781 .1633 .0333 .00543 .00619 .00573 .00029 -.00015 .00154
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	Olivine
	Merli M, Oberti R, Caucia F, Ungaretti L
	American Mineralogist 86 (2001) 55-65
	Determination of site population in olivine: Warnings on X-ray data
	treatment and refinement
	Sample: F-refinement using CRYSTALS on the 2491 reflections with Fo/sFo>1
	Fo92Fa08
	_database_code_amcsd 0002603
	4.7579 10.2151 5.9890 90 90 90 Pbnm
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Mg1 0 0 0 .92 .00474 .00639 .00509 -.00014 -.00061 -.00110
	Fe1 0 0 0 .08 .00474 .00639 .00509 -.00014 -.00061 -.00110
	Mg2 .9901 .2776 .25 .93 .00618 .00432 .00596 .00017 0 0
	Fe2 .9901 .2776 .25 .07 .00618 .00432 .00596 .00017 0 0
	Si .4267 .0943 .25 .00309 .00374 .00447 .00011 0 0
	O1 .7660 .0917 .25 .00361 .00651 .00605 .00013 0 0
	O2 .2208 .4475 .25 .00551 .00385 .00647 -.00008 0 0
	O3 .2781 .1633 .0333 .00545 .00620 .00573 .00027 -.00015 .00156
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	Olivine
	Merli M, Oberti R, Caucia F, Ungaretti L
	American Mineralogist 86 (2001) 55-65
	Determination of site population in olivine: Warnings on X-ray data
	treatment and refinement
	Sample: F-refinement using CRYSTALS on the 463 reflections with sin(theta)/lambda>.7
	Fo92Fa08
	_database_code_amcsd 0002604
	4.7579 10.2151 5.9890 90 90 90 Pbnm
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Mg1 0 0 0 .92 .00640 .00805 .00621 .00000 -.00060 -.00091
	Fe1 0 0 0 .08 .00640 .00805 .00621 .00000 -.00060 -.00091
	Mg2 .9904 .2776 .25 .93 .00810 .00640 .00728 .00013 0 0
	Fe2 .9904 .2776 .25 .07 .00810 .00640 .00728 .00013 0 0
	Si .4265 .0943 .25 .00480 .00585 .00579 .00000 0 0
	O1 .7664 .0917 .25 .00670 .00850 .00720 .00000 0 0
	O2 .2205 .4477 .25 .00730 .00610 .00720 .00070 0 0
	O3 .2782 .1632 .0334 .00800 .00800 .00740 .00027 -.00007 .00120
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	Vicanite-(Ce)
	Ballirano P, Callegari A, Caucia F, Maras A, Mazzi F, Ungaretti L
	American Mineralogist 87 (2002) 1139-1143
	The crystal structure of vicanite - (Ce), a borosilicate showing an unusual
	(Si3B3O18) polyanion
	_database_code_amcsd 0002883
	10.8112 10.8112 27.3296 90 90 120 R3m
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	CeM1 -.13188 .13188 -.31881 .751 .0096 .0092 .0092 .0087 .0033 .0007 -.0007
	CaM1 -.13188 .13188 -.31881 .249 .0096 .0092 .0092 .0087 .0033 .0007 -.0007
	LaM2 -.13794 .13794 .09655 .738 .0121 .0135 .0135 .0097 .0069 -.0008 .0008
	CaM2 -.13794 .13794 .09655 .262 .0121 .0135 .0135 .0097 .0069 -.0008 .0008
	CaM3 .11490 -.11490 -.09790 .992 .0149 .0158 .0158 .0156 .0097 .0018 -.0018
	CeM3 .11490 -.11490 -.09790 .008 .0149 .0158 .0158 .0156 .0097 .0018 -.0018
	CaM4 .13025 -.13025 .46683 .983 .0151 .0132 .0132 .0111 .0008 .0020 -.0020
	CeM4 .13025 -.13025 .46683 .017 .0151 .0132 .0132 .0111 .0008 .0020 -.0020
	ThM5 .14125 -.14125 .21736 .816 .0088 .0082 .0082 .0088 .0033 -.0002 .0002
	CaM5 .14125 -.14125 .21736 .184 .0088 .0082 .0082 .0088 .0033 -.0002 .0002
	Fe 0 0 0 .823 .0064 .0070 .0070 .0051 .0035 0 0
	Al 0 0 0 .177 .0064 .0070 .0070 .0051 .0035 0 0
	Si1 .1692 -.1692 .0431 .0087 .0091 .0091 .0091 .0055 -.0001 .0001
	Si2 -.1701 .1701 -.0404 .0084 .0083 .0083 .0089 .0043 .0001 -.0001
	B1 -.0780 .0780 .2926 .0098 .0111 .0111 .0076 .0058 -.0006 .0006
	B2 0 0 .1467 .0156 .0143 .0143 .0182 .0072 0 0
	As1 0 0 -.2107 .773 .0088 .0092 .0092 .0078 .0046 0 0
	P1 0 0 -.2107 .227 .0088 .0092 .0092 .0078 .0046 0 0
	As2 0 0 -.4576 .417 .0074 .0078 .0078 .0067 .0039 0 0
	Na 0 0 -.4264 .583 .0238 .0311 .0311 .0091 .0156 0 0
	O1 .0821 -.0821 .0452 .0111 .0116 .0116 .0135 .0082 .0002 -.0002
	O2 .1867 -.1867 -.0149 .0120 .0164 .0164 .0089 .0124 .0013 -.0013
	O3 .3233 -.0680 .0694 .0132 .0122 .0137 .0132 .0060 -.0033 -.0017
	O4 -.0837 .0837 -.0490 .0120 .0110 .0110 .0157 .0069 -.0001 .0001
	O5 -.1926 .1926 .0170 .0124 .0144 .0144 .0095 .0080 -.0003 .0003
	O6 -.3277 .0783 -.0643 .0151 .0108 .0145 .0142 .0020 -.0033 -.0010
	O7 .0761 -.0761 .3045 .0089 .0081 .0081 .0114 .0049 -.0003 .0003
	O8 -.0951 .0951 .2389 .0096 .0122 .0122 .0078 .0087 -.0009 .0009
	O9 .0728 -.0728 .1443 .0135 .0152 .0152 .0133 .0099 -.0005 .0005
	O10 0 0 -.1491 .0161 .0153 .0153 .0175 .0077 0 0
	O11 .1605 .0460 -.2332 .5 .0191 .0125 .0289 .0147 .0094 -.0006 -.0008
	O12 -.0812 .0812 -.4922 .417 .0185 .0156 .0156 .0239 .0074 .0001 -.0001
	F12 -.0812 .0812 -.4922 .583 .0185 .0156 .0156 .0239 .0074 .0001 -.0001
	F13 0 0 -.3366 .0258 .0174 .0174 .0425 .0087 0 0
	F14 .0212 .3058 -.1612 .0200 .0165 .0197 .0235 .0088 -.0072 -.0017
	Wat 0 0 .435 .21 .0200
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	Staurolite
	Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
	The Canadian Mineralogist 31 (1993) 551-582
	The crystal chemistry of staurolite. I. Crystal structure and site populations
	Sample Code: 71-62R/1
	Locality: Black Mountains, New Hampshire, USA
	_database_code_amcsd 0005300
	7.8628 16.6128 5.65004 90. 90.093 90 C2/m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	O1 .23317 0 .96432 .0027 .0003 .0058 0 .0011 0
	O2 .23451 0 .53428 .0029 .0003 .0056 0 -.0009 0
	O3 .25543 .16175 .01485 .0015 .0004 .0034 -.0003 .0002 -.0001
	O4 .25527 .16144 .48415 .0015 .0004 .0035 .0002 -.0001 0
	O5 .00230 .08919 .24739 .0012 .0005 .0077 0 0 -.0001
	O6 .02108 .24953 .25014 .0018 .0003 .0025 0 .0001 .0001
	O7 .52791 .10009 .24957 .0015 .0003 .0029 0 .0001 0
	Si1 .13425 .16631 .24921 .955 .001 .0002 .0024 0 0 0
	Al1 .13425 .16631 .24921 .045 .001 .0002 .0024 0 0 0
	Fe1 .39579 0 .24935 .58 .0048 .0004 .0136 0 .0003 0
	Li1 .39579 0 .24935 .1 .0048 .0004 .0136 0 .0003 0
	Al2 .39579 0 .24935 .08 .0048 .0004 .0136 0 .0003 0
	Mg1 .39579 0 .24935 .04 .0048 .0004 .0136 0 .0003 0
	Al3 .5 .17488 0 .985 .0015 .0004 .0027 0 -.0001 0
	Fe2 .5 .17488 0 .015 .0015 .0004 .0027 0 -.0001 0
	Al4 .5 .17447 .5 .985 .0017 .0004 .0026 0 .0002 0
	Fe3 .5 .17447 .5 .015 .0017 .0004 .0026 0 .0002 0
	Al5 .26458 .41003 .25092 .975 .0017 .0004 .0044 .0001 0 0
	Fe4 .26458 .41003 .25092 .025 .0017 .0004 .0044 .0001 0 0
	Al6 0 0 0 .53 .0017 .0004 .0036 0 .0011 0
	Mg2 0 0 0 .012 .0017 .0004 .0036 0 .0011 0
	Al7 0 0 .5 .35 .0017 .0004 .0025 0 -.0014 0
	Mg3 0 0 .5 .008 .0017 .0004 .0025 0 -.0014 0
	Fe5 .5 0 0 .14 .7
	Fe6 .5 0 .5 .075 .68
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	Staurolite
	Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
	The Canadian Mineralogist 31 (1993) 551-582
	The crystal chemistry of staurolite. I. Crystal structure and site populations
	Sample Code: 71-62R/6
	Locality: Black Mountains, New Hampshire, USA
	_database_code_amcsd 0005301
	7.8633 16.6118 5.6505 90 90.139 90 C2/m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	O1 .23294 0 .96384 .0028 .0004 .0065 0 .0013 0
	O2 .23517 0 .53406 .0035 .0004 .0063 0 -.0004 0
	O3 .25552 .16185 .01478 .0017 .0004 .0037 -.0002 .0004 -.0001
	O4 .25501 .16141 .48407 .0018 .0005 .0037 .0002 0 0
	O5 .00210 .08915 .24599 .0015 .0005 .0087 0 .0001 -.0001
	O6 .02107 .24952 .25030 .0021 .0004 .0034 0 .0001 .0002
	O7 .52780 .10008 .24931 .0017 .0004 .0036 0 .0001 0
	Si1 .13422 .16631 .24880 .96 .0013 .0003 .0032 0 .0001 0
	Al1 .13422 .16631 .24880 .04 .0013 .0003 .0032 0 .0001 0
	Fe1 .39579 0 .24935 .6 .0049 .0004 .0139 0 .0004 0
	Li1 .39579 0 .24935 .1 .0049 .0004 .0139 0 .0004 0
	Al2 .39579 0 .24935 .065 .0049 .0004 .0139 0 .0004 0
	Mg1 .39579 0 .24935 .04 .0049 .0004 .0139 0 .0004 0
	Al3 .5 .17490 0 .99 .0019 .0004 .0033 0 .0001 0
	Fe3 .5 .17490 0 .01 .0019 .0004 .0033 0 .0001 0
	Al4 .5 .17434 .5 .99 .0018 .0004 .0033 0 .0003 0
	Fe4 .5 .17434 .5 .01 .0018 .0004 .0033 0 .0003 0
	Al5 .26433 .41005 .25136 .98 .0019 .0004 .0047 .0001 .0001 0
	Fe5 .26458 .41005 .25136 .02 .0019 .0004 .0047 .0001 .0001 0
	Al6 0 0 0 .53 .0019 .0004 .0044 0 .0009 0
	Fe6 0 0 0 .022 .0019 .0004 .0044 0 .0009 0
	Al7 0 0 .5 .315 .0015 .0003 .0042 0 -.0009 0
	Fe7 0 0 .5 .013 .0015 .0003 .0042 0 -.0009 0
	Fe8 .5 0 0 .14 .737
	Fe9 .5 0 .5 .06 .728
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	Staurolite
	Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
	The Canadian Mineralogist 31 (1993) 551-582
	The crystal chemistry of staurolite. I. Crystal structure and site populations
	Sample Code: 71-62R/5
	Locality: Black Mountains, New Hampshire, USA
	_database_code_amcsd 0005302
	7.8647 16.6081 5.6511 90 90.226 90 C2/m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	O1 .23197 0 .96278 .0028 .0004 .0061 0 .0013 0
	O2 .23589 0 .53283 .0034 .0004 .0071 0 -.0001 0
	O3 .25578 .16199 .01416 .0016 .0005 .0038 -.0002 .0002 0
	O4 .25477 .16127 .48390 .0017 .0004 .0042 .0002 .0001 -.0001
	O5 .00212 .08891 .24298 .0015 .0005 .0083 0 0 -.0001
	O6 .02093 .24954 .25039 .0021 .0003 .0036 .0001 0 .0002
	O7 .52750 .10007 .24900 .0017 .0004 .0043 0 0 0
	Si1 .13433 .16625 .24788 .96 .0012 .0003 .0034 0 0 0
	Al1 .13433 .16625 .24788 .04 .0012 .0003 .0034 0 0 0
	Fe1 .39526 0 .24796 .61 .005 .0004 .0133 0 .0005 0
	Li1 .39526 0 .24796 .1 .005 .0004 .0133 0 .0005 0
	Al2 .39526 0 .24796 .05 .005 .0004 .0133 0 .0005 0
	Mg1 .39526 0 .24796 .04 .005 .0004 .0133 0 .0005 0
	Al3 .5 .17490 0 .98 .0018 .0004 .0037 0 0 0
	Fe3 .5 .17490 0 .012 .0018 .0004 .0037 0 0 0
	Mg2 .5 .17490 0 .008 .0018 .0004 .0037 0 0 0
	Al4 .5 .17434 .5 .98 .0017 .0004 .0035 0 .0002 0
	Fe4 .5 .17434 .5 .012 .0017 .0004 .0035 0 .0002 0
	Mg3 .5 .17434 .5 .008 .0017 .0004 .0035 0 .0002 0
	Al5 .26433 .41005 .25136 .99 .0017 .0004 .0048 .0001 .0001 0
	Fe5 .26458 .41005 .25136 .01 .0017 .0004 .0048 .0001 .0001 0
	Al6 0 0 0 .6 .0018 .0004 .0049 0 .001 0
	Fe6 0 0 0 .03 .0018 .0004 .0049 0 .001 0
	Al7 0 0 .5 .25 .0018 .0003 .0043 0 -.0013 0
	Fe7 0 0 .5 .015 .0018 .0003 .0043 0 -.0013 0
	Fe8 .5 0 0 .18 .705
	Fe9 .5 0 .5 .03 .623
	H1 .125 0 .445 2.54
	H2 .125 0 .055 .04 2.54
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	Staurolite
	Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
	The Canadian Mineralogist 31 (1993) 551-582
	The crystal chemistry of staurolite. I. Crystal structure and site populations
	Sample Code: EH-6/6
	Locality: Emery Hill, New York, USA
	_database_code_amcsd 0005303
	7.8787 16.6243 5.6611 90 90.004 90 C2/m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	O1 .23627 0 .96568 .004 .0003 .0076 0 .0011 0
	O2 .23615 0 .53367 .0039 .0003 .0078 0 -.0014 0
	O3 .25480 .16105 .01570 .0016 .0004 .0039 -.0001 .0002 0
	O4 .25472 .16102 .48426 .0015 .0004 .0035 .0002 -.0001 0
	O5 .00105 .08899 .25001 .0014 .0005 .0079 0 0 -.0001
	O6 .02171 .24935 .24992 .0018 .0003 .0049 0 -.0001 .0001
	O7 .52643 .09942 .25020 .0015 .0004 .0043 .0001 .0002 .0001
	Si1 .13392 .16611 .25007 .965 .001 .0003 .0031 0 .0001 0
	Al1 .13392 .16611 .25007 .035 .001 .0003 .0031 0 .0001 0
	Fe1 .39051 0 .24982 .64 .0054 .0004 .0136 0 0 0
	Zn1 .39051 0 .24982 .015 .0054 .0004 .0136 0 0 0
	Al2 .39051 0 .24982 .05 .0054 .0004 .0136 0 0 0
	Mg1 .39051 0 .24982 .235 .0054 .0004 .0136 0 0 0
	Al3 .5 .17517 0 .93 .0018 .0004 .0033 0 0 0
	Fe3 .5 .17517 0 .02 .0018 .0004 .0033 0 0 0
	Mg2 .5 .17517 0 .05 .0018 .0004 .0033 0 0 0
	Al4 .5 .17519 .5 .93 .0017 .0004 .0032 0 .0002 0
	Fe4 .5 .17519 .5 .02 .0017 .0004 .0032 0 .0002 0
	Mg3 .5 .17519 .5 .05 .0017 .0004 .0032 0 .0002 0
	Al5 .26269 .41054 .25006 .975 .0016 .0004 .0053 0 .0001 0
	Fe5 .26269 .41054 .25006 .025 .0016 .0004 .0053 0 .0001 0
	Al6 0 0 0 .46 .0015 .0003 .0046 0 .0016 0
	Mg6 0 0 0 .05 .0015 .0003 .0046 0 .0016 0
	Al7 0 0 .5 .46 .0017 .0003 .0048 0 -.0012 0
	Mg7 0 0 .5 .05 .0017 .0003 .0048 0 -.0012 0
	Fe8 .5 0 0 .03 1.244
	Fe9 .5 0 .5 .03 1.487
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	Staurolite
	Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
	The Canadian Mineralogist 31 (1993) 551-582
	The crystal chemistry of staurolite. I. Crystal structure and site populations
	Sample Code: EH-6/4
	Locality: Emery Hill, New York, USA
	_database_code_amcsd 0005304
	7.8831 16.6225 5.6602 90 90.012 90 C2/m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	O1 .23598 0 .96551 .0041 .0004 .0073 0 .0014 0
	O2 .23590 0 .53413 .004 .0003 .0075 0 -.0013 0
	O3 .25479 .16108 .01552 .0018 .0004 .0032 -.0002 .0003 0
	O4 .25461 .16104 .48435 .0018 .0004 .0035 .0002 -.0003 0
	O5 .00106 .08904 .24973 .0015 .0005 .0083 0 0 -.0001
	O6 .02182 .24937 .25017 .0019 .0003 .0043 0 0 .0002
	O7 .52629 .09922 .25003 .0016 .0005 .004 0 .0001 0
	Si1 .13395 .16615 .24998 .96 .0011 .0003 .003 0 0 0
	Al1 .13395 .16615 .24998 .04 .0011 .0003 .003 0 0 0
	Fe1 .39051 0 .24982 .695 .0053 .0004 .0129 0 0 0
	Zn1 .39051 0 .24982 .015 .0053 .0004 .0129 0 0 0
	Mg1 .39051 0 .24982 .225 .0053 .0004 .0129 0 0 0
	Al3 .5 .17517 0 .935 .0016 .0004 .0026 0 0 0
	Fe3 .5 .17517 0 .01 .0016 .0004 .0026 0 0 0
	Mg2 .5 .17517 0 .055 .0016 .0004 .0026 0 0 0
	Al4 .5 .17519 .5 .935 .0016 .0003 .0026 0 .0001 0
	Fe4 .5 .17519 .5 .01 .0016 .0003 .0026 0 .0001 0
	Mg3 .5 .17519 .5 .055 .0016 .0003 .0026 0 .0001 0
	Al5 .26269 .41054 .25006 .97 .0014 .0004 .0047 0 0 0
	Mg5 .26269 .41054 .25006 .02 .0014 .0004 .0047 0 0 0
	Fe5 .26269 .41054 .25006 .01 .0014 .0004 .0047 0 0 0
	Al6 0 0 0 .475 .0016 .0003 .0052 0 .0014 0
	Mg6 0 0 0 .05 .0016 .0003 .0052 0 .0014 0
	Al7 0 0 .5 .475 .0017 .0003 .0052 0 -.0015 0
	Mg7 0 0 .5 .05 .0017 .0003 .0052 0 -.0015 0
	Fe8 .5 0 0 .03 1.211
	Fe9 .5 0 .5 .03 1.059
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	Staurolite
	Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
	The Canadian Mineralogist 31 (1993) 551-582
	The crystal chemistry of staurolite. I. Crystal structure and site populations
	Sample Code: EH-6/2
	Locality: Emery Hill, New York, USA
	_database_code_amcsd 0005305
	7.8810 16.6250 5.6610 90 90.056 90 C2/m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	O1 .23553 0 .96472 .004 .0003 .0073 0 .0014 0
	O2 .23645 0 .53412 .004 .0003 .0075 0 -.0012 0
	O3 .25515 .16110 .01553 .0016 .0004 .0038 -.0002 .0003 0
	O4 .25460 .16104 .48434 .0016 .0004 .0039 .0002 -.0001 -.0001
	O5 .00106 .08909 .24833 .0016 .0005 .0083 0 .0001 -.0001
	O6 .02201 .24932 .24952 .0019 .0003 .0044 0 .0001 .0001
	O7 .52647 .09941 .24981 .0015 .0004 .0044 .0001 .0001 -.0001
	Si1 .13399 .16612 .24945 .965 .001 .0002 .0032 0 0 0
	Al1 .13399 .16612 .24946 .035 .001 .0002 .0032 0 0 0
	Fe1 .39042 0 .24901 .645 .0053 .0004 .0135 0 -.0001 0
	Al2 .39042 0 .24901 .02 .0053 .0004 .0135 0 -.0001 0
	Zn1 .39042 0 .24901 .015 .0053 .0004 .0135 0 -.0001 0
	Mg1 .39042 0 .24901 .24 .0053 .0004 .0135 0 -.0001 0
	Al3 .5 .17518 0 .935 .0017 .0003 .0031 0 0 0
	Fe3 .5 .17518 0 .015 .0017 .0003 .0031 0 0 0
	Mg2 .5 .17518 0 .05 .0017 .0003 .0031 0 0 0
	Al4 .5 .17523 .5 .935 .0017 .0004 .0032 0 .0001 0
	Fe4 .5 .17523 .5 .015 .0017 .0004 .0032 0 .0001 0
	Mg3 .5 .17523 .5 .05 .0017 .0004 .0032 0 .0001 0
	Al5 .26259 .41050 .25065 .965 .0014 .0004 .0053 0 .0001 0
	Mg5 .26259 .41050 .25065 .015 .0014 .0004 .0053 0 .0001 0
	Fe5 .26259 .41050 .25065 .02 .0014 .0004 .0053 0 .0001 0
	Al6 0 0 0 .495 .0016 .0003 .0057 0 .0016 0
	Mg6 0 0 0 .055 .0016 .0003 .0057 0 .0016 0
	Al7 0 0 .5 .425 .0018 .0003 .0059 0 -.0015 0
	Mg7 0 0 .5 .045 .0018 .0003 .0059 0 -.0015 0
	Fe8 .5 0 0 .03 .955
	Fe9 .5 0 .5 .03 1.179
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	Staurolite
	Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
	The Canadian Mineralogist 31 (1993) 551-582
	The crystal chemistry of staurolite. I. Crystal structure and site populations
	Sample Code: 3-3/1
	Locality: West Sidney, Maine, USA
	_database_code_amcsd 0005306
	7.8744 16.6253 5.6625 90 90.014 90 C2/m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	O1 .23469 0 .96491 .0036 .0004 .0069 0 .0012 0
	O2 .23498 0 .53482 .0039 .0004 .0072 0 -.0011 0
	O3 .25508 .16121 .01526 .0016 .0004 .0037 -.0002 0 -.0001
	O4 .25501 .16121 .48439 .0016 .0004 .0037 .0002 -.0001 -.0001
	O5 .00128 .08881 .24949 .0014 .0005 .0088 0 -.0001 -.0001
	O6 .02144 .24929 .24993 .0019 .0003 .0037 0 0 .0001
	O7 .52681 .10019 .24997 .0014 .0004 .0038 0 -.0001 0
	Si1 .13411 .16606 .24981 .96 .0011 .0003 .003 0 0 0
	Al1 .13411 .16606 .24981 .04 .0011 .0003 .003 0 0 0
	Fe1 .39110 0 .24963 .8 .0063 .0004 .0134 0 0 0
	Al2 .39110 0 .24963 .02 .0063 .0004 .0134 0 0 0
	Li1 .39110 0 .24963 .02 .0063 .0004 .0134 0 0 0
	Mg1 .39110 0 .24963 .12 .0063 .0004 .0134 0 0 0
	Al3 .5 .17529 0 .96 .0016 .0004 .0029 0 0 0
	Fe3 .5 .17529 0 .015 .0016 .0004 .0029 0 0 0
	Mg3 .5 .17529 0 .025 .0016 .0004 .0029 0 0 0
	Al4 .5 .17527 .5 .96 .0016 .0004 .0029 0 0 0
	Fe4 .5 .17527 .5 .015 .0016 .0004 .0029 0 0 0
	Mg4 .5 .17527 .5 .025 .0016 .0004 .0029 0 0 0
	Al5 .26276 .41056 .25023 .975 .0014 .0004 .0053 0 .0001 0
	Mg5 .26276 .41056 .25023 .01 .0014 .0004 .0053 0 .0001 0
	Fe5 .26276 .41056 .25023 .015 .0014 .0004 .0053 0 .0001 0
	Al6 0 0 0 .515 .0015 .0004 .0044 0 .0015 0
	Mg6 0 0 0 .025 .0015 .0004 .0044 0 .0015 0
	Al7 0 0 .5 .48 .0015 .0003 .0043 0 -.0013 0
	Mg7 0 0 .5 .02 .0015 .0003 .0043 0 -.0013 0
	Fe8 .5 0 0 .025 .964
	Fe9 .5 0 .5 .02 1.21
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	Staurolite
	Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
	The Canadian Mineralogist 31 (1993) 551-582
	The crystal chemistry of staurolite. I. Crystal structure and site populations
	Sample Code: 3-3/2
	Locality: West Sidney, Maine, USA
	_database_code_amcsd 0005307
	7.8727 16.62669 5.6626 90 90.042 90 C2/m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	O1 .23446 0 .96436 .0037 .0003 .0073 0 .0012 0
	O2 .23526 0 .53464 .0035 .0003 .0068 0 -.0012 0
	O3 .25525 .16125 .01532 .0017 .0004 .0035 -.0002 .0001 0
	O4 .25496 .16127 .48431 .0017 .0004 .0037 .0002 -.0002 0
	O5 .00138 .08884 .24870 .0014 .0004 .0086 -.0001 -.0002 -.0001
	O6 .02132 .24922 .24989 .0019 .0003 .0037 0 -.0001 .0001
	O7 .52673 .10026 .24989 .0016 .0004 .0034 0 0 0
	Si1 .13406 .16605 .24960 .955 .0013 .0002 .0026 0 -.0001 0
	Al1 .13406 .16605 .24960 .045 .0013 .0002 .0026 0 -.0001 0
	Fe1 .39135 0 .24937 .8 .0063 .0004 .013 0 -.0001 0
	Zn1 .39135 0 .24937 .01 .0063 .0004 .013 0 -.0001 0
	Li1 .39135 0 .24937 .04 .0063 .0004 .013 0 -.0001 0
	Mg1 .39135 0 .24937 .1 .0063 .0004 .013 0 -.0001 0
	Al3 .5 .17526 0 .97 .0017 .0003 .0027 0 0 0
	Fe3 .5 .17526 0 .01 .0017 .0003 .0027 0 0 0
	Mg2 .5 .17526 0 .02 .0017 .0003 .0027 0 0 0
	Al4 .5 .17525 .5 .97 .0017 .0003 .0026 0 0 0
	Fe4 .5 .17525 .5 .01 .0017 .0003 .0026 0 0 0
	Mg3 .5 .17525 .5 .02 .0017 .0003 .0026 0 0 0
	Al5 .26285 .41052 .25047 .98 .0015 .0004 .0044 0 0 0
	Mg5 .26285 .41052 .25047 .005 .0015 .0004 .0044 0 0 0
	Fe5 .26285 .41052 .25047 .015 .0015 .0004 .0044 0 0 0
	Al6 0 0 0 .535 .0015 .0003 .0045 0 .0013 0
	Mg6 0 0 0 .025 .0015 .0003 .0045 0 .0013 0
	Al7 0 0 .5 .47 .0014 .0003 .004 0 -.0016 0
	Mg7 0 0 .5 .02 .0014 .0003 .004 0 -.0016 0
	Fe8 .5 0 0 .025 .964
	Fe9 .5 0 .5 .02 1.21
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	Staurolite
	Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
	The Canadian Mineralogist 31 (1993) 551-582
	The crystal chemistry of staurolite. I. Crystal structure and site populations
	Sample Code: 106038/1
	Locality: Franklin, North Carolina, USA
	_database_code_amcsd 0005308
	7.8782 16.6056 5.6568 90 90.084 90 C2/m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	O1 .23406 0 .96422 .0034 .0003 .0068 0 .0013 0
	O2 .23537 0 .53376 .0036 .0003 .0069 0 -.0006 0
	O3 .25530 .16132 .01504 .0015 .0004 .0035 -.0002 .0004 -.0001
	O4 .25487 .16117 .48452 .0017 .0004 .0035 .0002 0 0
	O5 .00133 .08878 .24796 .0014 .0005 .0083 0 -.0002 -.0001
	O6 .02159 .24947 .24985 .0019 .0003 .0037 0 .0002 .0001
	O7 .52663 .09935 .24951 .0013 .0004 .0039 0 .0003 -.0001
	Si1 .13422 .16622 .24935 .935 .001 .0003 .0031 0 .0003 0
	Al1 .13422 .16622 .24935 .065 .001 .0003 .0031 0 .0003 0
	Fe1 .38970 0 .24871 .57 .0049 .0004 .013 0 .0002 0
	Zn1 .38970 0 .24871 .16 .0049 .0004 .013 0 .0002 0
	Al2 .38970 0 .24871 .04 .0049 .0004 .013 0 .0002 0
	Mg1 .38970 0 .24871 .16 .0049 .0004 .013 0 .0002 0
	Al3 .5 .17493 0 .965 .0013 .0003 .0025 0 .0002 0
	Mg2 .5 .17493 0 .035 .0013 .0003 .0025 0 .0002 0
	Al4 .5 .17494 .5 .965 .0014 .0003 .0028 0 .0004 0
	Mg3 .5 .17494 .5 .035 .0014 .0003 .0028 0 .0004 0
	Al5 .26270 .41044 .25072 .97 .0013 .0004 .0049 0 .0003 0
	Mg5 .26270 .41044 .25072 .01 .0013 .0004 .0049 0 .0003 0
	Fe5 .26270 .41044 .25072 .02 .0013 .0004 .0049 0 .0003 0
	Al6 0 0 0 .52 .0014 .0003 .0048 0 .0017 0
	Mg6 0 0 0 .04 .0014 .0003 .0048 0 .0017 0
	Al7 0 0 .5 .415 .0013 .0003 .0043 0 -.0011 0
	Mg7 0 0 .5 .03 .0013 .0003 .0043 0 -.0011 0
	Fe8 .5 0 0 .035 1.065
	Fe9 .5 0 .5 .03 1.194
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	Staurolite
	Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
	The Canadian Mineralogist 31 (1993) 551-582
	The crystal chemistry of staurolite. I. Crystal structure and site populations
	Sample Code: 106038/3
	Locality: Franklin, North Carolina, USA
	_database_code_amcsd 0005309
	7.8772 16.6060 5.6568 90 90.087 90 C2/m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	O1 .23422 0 .96447 .0035 .0003 .0068 0 .0011 0
	O2 .23509 0 .53408 .0035 .0003 .0067 0 -.0011 0
	O3 .25539 .16130 .01511 .0016 .0004 .0034 -.0001 .0002 0
	O4 .25491 .16123 .48467 .0017 .0004 .0035 .0002 -.0002 0
	O5 .00133 .08880 .24831 .0014 .0005 .0085 0 -.0001 -.0001
	O6 .02126 .24947 .24981 .0019 .0003 .004 0 0 .0002
	O7 .52662 .09941 .24975 .0014 .0004 .0038 0 -.0001 0
	Si1 .13416 .16622 .24953 .93 .0011 .0003 .003 0 0 0
	Al1 .13416 .16622 .24953 .07 .0011 .0003 .003 0 0 0
	Fe1 .38986 0 .24898 .605 .0051 .0004 .0132 0 -.0001 0
	Zn1 .38986 0 .24898 .162 .0051 .0004 .0132 0 -.0001 0
	Al2 .38986 0 .24898 .01 .0051 .0004 .0132 0 -.0001 0
	Mg1 .38986 0 .24898 .158 .0051 .0004 .0132 0 -.0001 0
	Al3 .5 .17494 0 .967 .0014 .0003 .0027 0 0 0
	Mg3 .5 .17494 0 .033 .0014 .0003 .0027 0 0 0
	Al4 .5 .17492 .5 .967 .0014 .0003 .0026 0 0 0
	Mg4 .5 .17492 .5 .033 .0014 .0003 .0026 0 0 0
	Al5 .26273 .41037 .25056 .985 .0014 .0004 .0046 0 0 0
	Mg5 .26273 .41037 .25056 .008 .0014 .0004 .0046 0 0 0
	Fe5 .26273 .41037 .25056 .007 .0014 .0004 .0046 0 0 0
	Al6 0 0 0 .52 .0014 .0003 .0044 0 .0014 0
	Mg6 0 0 0 .035 .0014 .0003 .0044 0 .0014 0
	Al7 0 0 .5 .43 .0013 .0003 .0041 0 -.0015 0
	Mg7 0 0 .5 .03 .0013 .0003 .0041 0 -.0015 0
	Fe8 .5 0 0 .04 1.042
	Fe9 .5 0 .5 .03 .872
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	Staurolite
	Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
	The Canadian Mineralogist 31 (1993) 551-582
	The crystal chemistry of staurolite. I. Crystal structure and site populations
	Sample Code: 117189/6
	Locality: Stratford, North Carolina, USA
	_database_code_amcsd 0005310
	7.8685 16.6103 5.6584 90 90.026 90 C2/m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	O1 .23422 0 .96447 .0035 .0003 .0068 0 .0011 0
	O2 .23509 0 .53408 .0035 .0003 .0067 0 -.0011 0
	O3 .25539 .16130 .01511 .0016 .0004 .0034 -.0001 .0002 0
	O4 .25491 .16123 .48467 .0017 .0004 .0035 .0002 -.0002 0
	O5 .00133 .08880 .24831 .0014 .0005 .0085 0 -.0001 -.0001
	O6 .02126 .24947 .24981 .0019 .0003 .004 0 0 .0002
	O7 .52662 .09941 .24975 .0014 .0004 .0038 0 -.0001 0
	Si1 .13416 .16622 .24953 .93 .0011 .0003 .003 0 0 0
	Al1 .13416 .16622 .24953 .07 .0011 .0003 .003 0 0 0
	Fe1 .38986 0 .24898 .605 .0051 .0004 .0132 0 -.0001 0
	Zn1 .38986 0 .24898 .162 .0051 .0004 .0132 0 -.0001 0
	Al2 .38986 0 .24898 .01 .0051 .0004 .0132 0 -.0001 0
	Mg1 .38986 0 .24898 .158 .0051 .0004 .0132 0 -.0001 0
	Al3 .5 .17494 0 .967 .0014 .0003 .0027 0 0 0
	Mg3 .5 .17494 0 .033 .0014 .0003 .0027 0 0 0
	Al4 .5 .17492 .5 .967 .0014 .0003 .0026 0 0 0
	Mg4 .5 .17492 .5 .033 .0014 .0003 .0026 0 0 0
	Al5 .26273 .41037 .25056 .985 .0014 .0004 .0046 0 0 0
	Mg5 .26273 .41037 .25056 .008 .0014 .0004 .0046 0 0 0
	Fe5 .26273 .41037 .25056 .007 .0014 .0004 .0046 0 0 0
	Al6 0 0 0 .52 .0014 .0003 .0044 0 .0014 0
	Mg6 0 0 0 .035 .0014 .0003 .0044 0 .0014 0
	Al7 0 0 .5 .43 .0013 .0003 .0041 0 -.0015 0
	Mg7 0 0 .5 .03 .0013 .0003 .0041 0 -.0015 0
	Fe8 .5 0 0 .04 1.042
	Fe9 .5 0 .5 .03 .872
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	Staurolite
	Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
	The Canadian Mineralogist 31 (1993) 551-582
	The crystal chemistry of staurolite. I. Crystal structure and site populations
	Sample Code: 117189/7
	Locality: Stratford, North Carolina, USA
	_database_code_amcsd 0005311
	7.8678 16.6093 5.6581 90 90.128 90 C2/m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	O1 .23456 0 .96412 .0033 .0003 .0065 0 .0008 0
	O2 .23597 0 .53292 .0036 .0004 .0059 0 -.0006 0
	O3 .25526 .16150 .01529 .0018 .0004 .0033 -.0002 .0002 -.0001
	O4 .25481 .16126 .48397 .0019 .0004 .0031 .0002 -.0002 0
	O5 .00126 .08908 .24685 .0015 .0005 .008 0 -.0002 -.0001
	O6 .02190 .24946 .24969 .0018 .0003 .0036 0 -.0001 .0001
	O7 .52666 .09965 .24976 .0015 .0004 .0037 0 0 -.0001
	Si1 .13404 .16616 .24900 .96 .0011 .0003 .0028 0 0 0
	Al1 .13404 .16616 .24900 .04 .0011 .0003 .0028 0 0 0
	Fe1 .38942 0 .24780 .53 .0048 .0004 .0128 0 -.0002 0
	Zn1 .38942 0 .24780 .33 .0048 .0004 .0128 0 -.0002 0
	Li1 .38942 0 .24780 .015 .0048 .0004 .0128 -.0002 0 0
	Mg1 .38942 0 .24780 .08 .0048 .0004 .0128 -.0002 0 0
	Al3 .5 .17496 0 .96 .0015 .0003 .0026 0 0 0
	Mg3 .5 .17496 0 .034 .0015 .0003 .0026 0 0 0
	Fe3 .5 .17496 0 .006 .0015 .0003 .0026 0 0 0
	Al4 .5 .17494 .5 .96 .0015 .0004 .0025 0 0 0
	Mg4 .5 .17494 .5 .034 .0015 .0004 .0025 0 0 0
	Fe4 .5 .17494 .5 .006 .0015 .0004 .0025 0 0 0
	Al5 .26313 .41054 .25120 .972 .0014 .0004 .0046 0 0 0
	Mg5 .26313 .41054 .25120 .015 .0014 .0004 .0046 0 0 0
	Fe5 .26313 .41054 .25120 .013 .0014 .0004 .0046 0 0 0
	Al6 0 0 0 .56 .0012 .0003 .0043 0 .0009 0
	Mg6 0 0 0 .02 .0012 .0003 .0043 0 .0009 0
	Al7 0 0 .5 .385 .0012 .0004 .0041 0 -.0013 0
	Mg7 0 0 .5 .015 .0012 .0004 .0041 0 -.0013 0
	Fe8 .5 0 0 .035 1.162
	Fe9 .5 0 .5 .015 1.42
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	Staurolite
	Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
	The Canadian Mineralogist 31 (1993) 551-582
	The crystal chemistry of staurolite. I. Crystal structure and site populations
	Sample Code: 117189/21
	Locality: Stratford, North Carolina, USA
	_database_code_amcsd 0005312
	7.8683 16.6094 5.6593 90 90.271 90 C2/m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	O1 .23327 0 .96243 .003 .0003 .0061 0 .0006 0
	O2 .23662 0 .53121 .0035 .0004 .006 0 -.0003 0
	O3 .25585 .16156 .01517 .0017 .0004 .0034 -.0002 .0002 0
	O4 .25425 .16124 .48360 .002 .0004 .0031 .0001 -.0003 0
	O5 .00123 .08898 .24343 .0014 .0005 .0076 0 -.0001 -.0001
	O6 .02151 .24942 .24923 .002 .0003 .0035 .0001 -.0001 .0002
	O7 .52654 .09964 .24949 .0015 .0004 .0036 0 -.0002 0
	Si1 .13408 .16612 .24795 .96 .0011 .0003 .0027 0 -.0001 0
	Al1 .13408 .16612 .24795 .04 .0011 .0003 .0027 0 -.0001 0
	Fe1 .38959 0 .24539 .52 .0047 .0005 .0116 0 -.0005 0
	Zn1 .38959 0 .24539 .35 .0047 .0005 .0116 0 -.0005 0
	Li1 .38959 0 .24539 .015 .0047 .0005 .0116 -.0005 0 0
	Mg1 .38959 0 .24539 .075 .0047 .0005 .0116 -.0005 0 0
	Al3 .5 .17497 0 .96 .0016 .0004 .0027 0 -.0001 0
	Mg3 .5 .17497 0 .03 .0016 .0004 .0027 0 -.0001 0
	Fe3 .5 .17497 0 .01 .0016 .0004 .0027 0 -.0001 0
	Al4 .5 .17498 .5 .96 .0015 .0004 .0025 0 0 0
	Mg4 .5 .17498 .5 .03 .0015 .0004 .0025 0 0 0
	Fe4 .5 .17498 .5 .01 .0015 .0004 .0025 0 0 0
	Al5 .26307 .41056 .25239 .97 .0016 .0005 .0046 0 -.0001 0
	Mg5 .26307 .41056 .25239 .02 .0016 .0005 .0046 0 -.0001 0
	Fe5 .26307 .41056 .25239 .01 .0016 .0005 .0046 0 -.0001 0
	Al6 0 0 0 .66 .0014 .0004 .0045 0 .001 0
	Mg6 0 0 0 .025 .0014 .0004 .0045 0 .001 0
	Al7 0 0 .5 .29 .0012 .0004 .0047 0 -.0011 0
	Mg7 0 0 .5 .015 .0012 .0004 .0047 0 -.0011 0
	Fe8 .5 0 0 .04 .983
	Fe9 .5 0 .5 .005 .3
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	Staurolite
	Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
	The Canadian Mineralogist 31 (1993) 551-582
	The crystal chemistry of staurolite. I. Crystal structure and site populations
	Sample Code: 117189/1
	Locality: Stratford, North Carolina, USA
	_database_code_amcsd 0005313
	7.8691 16.6064 5.6595 90 90.452 90 C2/m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	O1 .23237 0 .96061 .0027 .0003 .0048 0 .0002 0
	O2 .23752 0 .52859 .0032 .0004 .005 0 .0002 0
	O3 .25646 .16157 .01461 .0013 .0004 .0032 -.0001 .0001 -.0001
	O4 .25364 .16104 .48346 .0017 .0004 .0026 .0001 -.0002 0
	O5 .00159 .08911 .23940 .0013 .0004 .0059 0 -.0001 -.0001
	O6 .02167 .24947 .24894 .0016 .0003 .0033 .0001 0 .0002
	O7 .52661 .09964 .24933 .0015 .0003 .0032 .0001 -.0002 -.0001
	Si1 .13417 .16614 .24653 .96 .0011 .0002 .0023 0 0 0
	Al1 .13417 .16614 .24653 .04 .0011 .0002 .0023 0 0 0
	Fe1 .38969 0 .24235 .52 .0046 .0004 .0087 0 -.0007 0
	Zn1 .38969 0 .24235 .35 .0046 .0004 .0087 0 -.0007 0
	Li1 .38969 0 .24235 .015 .0046 .0004 .0087 0 -.0007 0
	Mg1 .38969 0 .24235 .075 .0046 .0004 .0087 0 -.0007 0
	Al3 .5 .17501 0 .96 .0016 .0003 .0023 0 0 0
	Mg3 .5 .17501 0 .03 .0016 .0003 .0023 0 0 0
	Fe3 .5 .17501 0 .01 .0016 .0003 .0023 0 0 0
	Al4 .5 .17490 .5 .96 .0015 .0004 .0024 0 .0001 0
	Mg4 .5 .17490 .5 .03 .0015 .0004 .0024 0 .0001 0
	Fe4 .5 .17490 .5 .01 .0015 .0004 .0024 0 .0001 0
	Al5 .26313 .41050 .25401 .97 .0016 .0004 .0041 .0002 0 0
	Mg5 .26313 .41050 .25401 .02 .0016 .0004 .0041 .0002 0 0
	Fe5 .26313 .41050 .25401 .01 .0016 .0004 .0041 .0002 0 0
	Al6 0 0 0 .79 .0015 .0003 .0044 0 .0007 0
	Mg6 0 0 0 .033 .0015 .0003 .0044 0 .0007 0
	Al7 0 0 .5 .16 .0005 .0002 .0061 0 -.0018 0
	Mg7 0 0 .5 .007 .0005 .0002 .0061 0 -.0018 0
	Fe8 .5 0 0 .045 .611
	H1 .125 0 .445 .78 1.742
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	Staurolite
	Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
	The Canadian Mineralogist 31 (1993) 551-582
	The crystal chemistry of staurolite. I. Crystal structure and site populations
	Sample Code: 6-3/1
	Locality: East Winthrop, Maine, USA
	_database_code_amcsd 0005314
	7.8707 16.5875 5.6551 90 90.025 90 C2/m
	atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	O1 .23394 0 .96563 .0029 .0003 .0066 0 .0018 0
	O2 .23425 0 .53359 .0028 .0003 .0066 0 -.0018 0
	O3 .25492 .16147 .01551 .0013 .0004 .0036 -.0003 .0001 -.0001
	O4 .25456 .16145 .48424 .0014 .0004 .0035 .0002 -.0002 0
	O5 .00197 .08862 .24930 .0014 .0004 .0083 -.0001 .0001 -.0002
	O6 .02112 .24929 .24984 .0017 .0003 .0033 .0001 -.0001 .0002
	O7 .52715 .10021 .25003 .0012 .0003 .0029 0 .0001 0
	Si1 .13425 .16612 .24987 .973 .001 .0002 .0029 0 0 0
	Al1 .13425 .16612 .24987 .027 .001 .0002 .0029 0 0 0
	Fe1 .39265 0 .24961 .63 .0049 .0004 .0161 0 .0001 0
	Al2 .39265 0 .24961 .06 .0049 .0004 .0161 0 .0001 0
	Li1 .39265 0 .24961 .255 .0049 .0004 .0161 0 .0001 0
	Mg1 .39265 0 .24961 .055 .0049 .0004 .0161 0 .0001 0
	Al3 .5 .17464 0 .975 .0017 .0004 .0026 0 -.0001 0
	Mg3 .5 .17464 0 .01 .0017 .0004 .0026 0 -.0001 0
	Fe3 .5 .17464 0 .015 .0017 .0004 .0026 0 -.0001 0
	Al4 .5 .17464 .5 .975 .0016 .0004 .0028 0 0 0
	Mg4 .5 .17464 .5 .01 .0016 .0004 .0028 0 0 0
	Fe4 .5 .17464 .5 .015 .0016 .0004 .0028 0 0 0
	Al5 .26228 .41070 .25017 .98 .0015 .0004 .0045 0 0 0
	Fe5 .26228 .41070 .25017 .02 .0015 .0004 .0045 0 0 0
	Al6 0 0 0 .485 .0016 .0003 .0035 0 .001 0
	Mg6 0 0 0 .01 .0016 .0003 .0035 0 .001 0
	Fe6 0 0 0 .01 .0016 .0003 .0035 0 .001 0
	Al7 0 0 .5 .45 .0014 .0003 .003 0 -.0011 0
	Fe7 0 0 .5 .01 .0014 .0003 .003 0 -.0011 0
	Mg7 0 0 .5 .005 .0014 .0003 .003 0 -.0011 0
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Staurolite
	Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
	The Canadian Mineralogist 31 (1993) 551-582
	The crystal chemistry of staurolite. I. Crystal structure and site populations
	Sample Code: WARD/7
	Locality: Fiordland, New Zealand
	_database_code_amcsd 0005315
	7.8719 16.6118 5.6547 90 90.122 90 C2/m
	atom x y z occ Uiso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	O1 .23434 0 .96393 .0035 .0003 .0076 0 .0012 0
	O2 .23598 0 .53260 .0037 .0003 .0073 0 -.0009 0
	O3 .25536 .16134 .01550 .0015 .0004 .0033 -.0002 .0005 -.0001
	O4 .25448 .16120 .48397 .0016 .0005 .0036 .0002 -.0002 0
	O5 .00162 .08911 .24689 .0014 .0005 .008 0 -.0001 -.0001
	O6 .02168 .24934 .24987 .0018 .0003 .004 0 0 .0002
	O7 .52703 .09981 .24962 .0013 .0004 .0039 0 -.0001 -.0001
	Si1 .13413 .16621 .24909 .96 .0009 .0003 .003 0 0 0
	Al1 .13413 .16621 .24909 .04 .0009 .0003 .003 0 0 0
	Fe1 .39155 0 .24836 .58 .0056 .0004 .0143 0 -.0002 0
	Al2 .39155 0 .24836 .11 .0056 .0004 .0143 0 -.0002 0
	Mg1 .39155 0 .24836 .21 .0056 .0004 .0143 0 -.0002 0
	Al3 .5 .17494 0 .94 .0015 .0004 .0032 0 0 0
	Mg3 .5 .17494 0 .045 .0015 .0004 .0032 0 0 0
	Fe3 .5 .17494 0 .015 .0015 .0004 .0032 0 0 0
	Al4 .5 .17485 .5 .94 .0015 .0004 .0031 0 .0001 0
	Mg4 .5 .17485 .5 .045 .0015 .0004 .0031 0 .0001 0
	Fe4 .5 .17485 .5 .015 .0015 .0004 .0031 0 .0001 0
	Al5 .26320 .41056 .25101 .96 .0014 .0004 .0051 0 0 0
	Mg5 .26320 .41056 .25101 .01 .0014 .0004 .0051 0 0 0
	Fe5 .26320 .41056 .25101 .03 .0014 .0004 .0051 0 0 0
	Al6 0 0 0 .52 .0017 .0004 .0051 0 .0011 0
	Mg6 0 0 0 .05 .0017 .0004 .0051 0 .0011 0
	Fe6 0 0 0 .01 .0017 .0004 .0051 0 .0011 0
	Al7 0 0 .5 .38 .0017 .0004 .0055 0 -.0014 0
	Fe7 0 0 .5 .035 .0017 .0004 .0055 0 -.0014 0
	Mg7 0 0 .5 .005 .0017 .0004 .0055 0 -.0014 0
	Fe8 .5 0 0 .06 1.068
	Fe9 .5 0 .5 .035 .91
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Staurolite
	Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
	The Canadian Mineralogist 31 (1993) 551-582
	The crystal chemistry of staurolite. I. Crystal structure and site populations
	Sample Code: MOT/2
	_database_code_amcsd 0005316
	7.8678 16.6189 5.6582 90 90.000 90 C2/m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	O1 .23436 0 .96445 .0035 .0004 .0072 0 .0009 0
	O2 .23458 0 .53491 .0037 .0004 .0071 0 -.0008 0
	O3 .25521 .16134 .01549 .0017 .0004 .004 -.0002 .0003 0
	O4 .25513 .16131 .48437 .0018 .0004 .0038 .0002 -.0002 0
	O5 .00140 .08880 .24963 .0015 .0005 .0092 0 0 -.0001
	O6 .02154 .24932 .25002 .0019 .0003 .004 0 .0001 .0001
	O7 .52696 .10024 .25007 .0015 .0004 .004 0 .0001 0
	Si1 .13411 .16609 .24998 .93 .0011 .0003 .0032 0 0 0
	Al1 .13411 .16609 .24998 .07 .0011 .0003 .0032 0 0 0
	Fe1 .39167 0 .24993 .805 .006 .0004 .0134 0 0 0
	Li1 .39167 0 .24993 .02 .006 .0004 .0134 0 0 0
	Mg1 .39167 0 .24993 .105 .006 .0004 .0134 0 0 0
	Al3 .5 .17520 0 .965 .0016 .0004 .0033 0 0 0
	Mg3 .5 .15204 0 .02 .0016 .0004 .0033 0 0 0
	Fe3 .5 .17520 0 .015 .0016 .0004 .0033 0 0 0
	Al4 .5 .17516 .5 .965 .0016 .0004 .0033 0 .0001 0
	Mg4 .5 .17516 .5 .02 .0016 .0004 .0033 0 .0001 0
	Fe4 .5 .17516 .5 .015 .0016 .0004 .0033 0 .0001 0
	Al5 .26320 .41050 .25003 .98 .0014 .0004 .0048 0 .0001 0
	Mg5 .26320 .41050 .25003 .006 .0014 .0004 .0048 0 .0001 0
	Fe5 .26320 .41050 .25003 .014 .0014 .0004 .0048 0 .0001 0
	Al6 0 0 0 .485 .0015 .0003 .0046 0 .0015 0
	Mg6 0 0 0 .02 .0015 .0003 .0046 0 .0015 0
	Al7 0 0 .5 .48 .0015 .0003 .0041 0 -.0013 0
	Mg7 0 0 .5 .005 .0015 .0003 .0041 0 -.0013 0
	Fe8 .5 0 0 .033 .679
	Fe9 .5 0 .5 .037 .967
	H1 .125 0 .05 .75 .35
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Staurolite
	Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
	The Canadian Mineralogist 31 (1993) 551-582
	The crystal chemistry of staurolite. I. Crystal structure and site populations
	Sample Code: MUS/6-1
	Locality: Pizzo Forno, Switzerland
	_database_code_amcsd 0005317
	7.8682 16.61499 5.6553 90 90.024 90 C2/m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	O1 .23482 0 .96459 .0034 .0004 .0078 0 .0009 0
	O2 .23497 0 .53538 .0035 .0004 .0074 0 -.0007 0
	O3 .25492 .16146 .01562 .0016 .0004 .004 -.0002 .0003 0
	O4 .25500 .16142 .48428 .0015 .0004 .0041 .0001 -.0002 0
	O5 .00176 .08908 .24976 .0013 .0005 .0093 0 0 -.0001
	O6 .02150 .24932 .25007 .0018 .0004 .0041 0 0 .0002
	O7 .52712 .10015 .24999 .0014 .0004 .0044 0 .0001 -.0001
	Si1 .13418 .16615 .24994 .94 .001 .0003 .0036 0 0 0
	Al1 .13418 .16615 .24994 .06 .001 .0003 .0036 0 0 0
	Fe1 .39167 0 .24993 .75 .0057 .0004 .0146 0 0 0
	Mg1 .39167 0 .24993 .14 .0057 .0004 .0146 0 0 0
	Li1 .39167 0 .24993 .02 .0057 .0004 .0146 0 0 0
	Zn1 .39167 0 .24993 .015 .0057 .0004 .0146 0 0 0
	Al3 .5 .17520 0 .96 .0014 .0004 .0032 0 -.0001 0
	Mg3 .5 .17520 0 .03 .0014 .0004 .0032 0 -.0001 0
	Fe3 .5 .17520 0 .01 .0014 .0004 .0032 0 -.0001 0
	Al4 .5 .17516 .5 .96 .0014 .0004 .0031 0 .0001 0
	Mg4 .5 .17516 .5 .03 .0014 .0004 .0031 0 .0001 0
	Fe4 .5 .17516 .5 .01 .0014 .0004 .0031 0 .0001 0
	Al5 .26320 .41050 .25003 .99 .0014 .0004 .0051 0 0 0
	Mg5 .26320 .41050 .25003 .01 .0014 .0004 .0051 0 0 0
	Al6 0 0 0 .47 .0016 .0004 .0052 0 .0013 0
	Mg6 0 0 0 .03 .0016 .0004 .0052 0 .0013 0
	Al7 0 0 .5 .465 .0017 .0004 .0053 0 -.0012 0
	Mg7 0 0 .5 .03 .0017 .0004 .0053 0 -.0012 0
	Fe8 .5 0 0 .045 1.157
	Fe9 .5 0 .5 .04 1.121
	H1 .125 0 .05 .25 7.89
	H2 .125 0 .45 .5 3.54
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	Staurolite
	Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
	The Canadian Mineralogist 31 (1993) 551-582
	The crystal chemistry of staurolite. I. Crystal structure and site populations
	Sample Code: MUS-AR/3
	Locality: Pizzo Forno, Switzerland
	_database_code_amcsd 0005318
	7.8660 16.61378 5.6552 90 90.057 90 C2/m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	O1 .23462 0 .96426 .0033 .0004 .0069 0 .0009 0
	O2 .23544 0 .53455 .0035 .0004 .0069 0 -.0006 0
	O3 .25519 .16145 .01541 .0015 .0005 .0033 -.0002 .0003 0
	O4 .25493 .16136 .48425 .0015 .0005 .0033 .0002 -.0001 0
	O5 .00179 .08899 .25003 .0014 .0005 .0085 0 .0001 -.0001
	O6 .02150 .24932 .25007 .0019 .0004 .0035 0 .0001 .0002
	O7 .52704 .10007 .24991 .0015 .0004 .0039 0 .0001 -.0001
	Si1 .13413 .16615 .24958 .94 .0011 .0003 .003 0 .0001 0
	Al1 .13413 .16615 .24958 .06 .0011 .0003 .003 0 .0001 0
	Fe1 .39244 0 .24913 .75 .0057 .0004 .014 0 0 0
	Mg1 .39244 0 .24913 .14 .0057 .0004 .014 0 0 0
	Li1 .39244 0 .24913 .02 .0057 .0004 .014 0 0 0
	Zn1 .39244 0 .24913 .015 .0057 .0004 .014 0 0 0
	Al3 .5 .17511 0 .96 .0014 .0004 .0027 0 0 0
	Mg3 .5 .17511 0 .03 .0015 .0004 .0027 0 0 0
	Fe3 .5 .17511 0 .01 .0015 .0004 .0027 0 0 0
	Al4 .5 .17499 .5 .96 .0015 .0004 .0028 0 .0002 0
	Mg4 .5 .17499 .5 .03 .0015 .0004 .0028 0 .0002 0
	Fe4 .5 .17499 .5 .01 .0015 .0004 .0028 0 .0002 0
	Al5 .26348 .41042 .25058 .99 .0013 .0004 .0044 0 .0001 0
	Mg5 .26348 .41042 .25058 .01 .0013 .0004 .0044 0 .0001 0
	Al6 0 0 0 .52 .0015 .0004 .0045 0 .0011 0
	Mg6 0 0 0 .033 .0015 .0004 .0045 0 .0011 0
	Al7 0 0 .5 .415 .0015 .0004 .0049 0 -.0008 0
	Mg7 0 0 .5 .027 .0015 .0004 .0049 0 -.0008 0
	Fe8 .5 0 0 .05 1.157
	Fe9 .5 0 .5 .035 1.121
	H1 .125 0 .05 .5 19.3
	H2 .125 0 .45 .25 30.9
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	Staurolite
	Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
	The Canadian Mineralogist 31 (1993) 551-582
	The crystal chemistry of staurolite. I. Crystal structure and site populations
	Sample Code: HP1/2
	Locality: Pizzo Forno, Switzerland
	_database_code_amcsd 0005319
	7.8690 16.6142 5.6585 90 90.070 90 C2/m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	O1 .23436 0 .96402 .0033 .0004 .0072 0 .0011 0
	O2 .23531 0 .53503 .0035 .0004 .0071 0 -.0008 0
	O3 .25508 .16142 .01559 .0015 .0004 .0037 -.0002 .0002 0
	O4 .25486 .16129 .48394 .0016 .0004 .0038 .0002 -.0002 0
	O5 .00175 .08899 .24823 .0014 .0005 .009 0 0 -.0001
	O6 .02154 .24927 .24987 .0019 .0003 .0039 0 0 .0002
	O7 .52733 .10007 .24962 .0014 .0004 .0041 0 0 0
	Si1 .13414 .16611 .24946 .945 .001 .0003 .0031 0 0 0
	Al1 .13414 .16611 .24946 .055 .001 .0003 .0031 0 0 0
	Fe1 .39210 0 .24897 .76 .0056 .0004 .0141 0 -.0001 0
	Mg1 .39210 0 .24897 .16 .0056 .0004 .0141 0 -.0001 0
	Li1 .39210 0 .24897 .025 .0056 .0004 .0141 0 -.0001 0
	Zn1 .39210 0 .24897 .03 .0056 .0004 .0141 0 -.0001 0
	Al3 .5 .17513 0 .97 .0015 .0003 .0029 0 0 0
	Mg3 .5 .17513 0 .03 .0015 .0003 .0029 0 0 0
	Al4 .5 .17503 .5 .97 .0015 .0004 .0029 0 .0001 0
	Mg4 .5 .17503 .5 .03 .0015 .0004 .0029 0 .0001 0
	Al5 .26344 .41047 .25063 .978 .0017 .0005 .0055 0 0 0
	Mg5 .26344 .41047 .25063 .01 .0017 .0005 .0055 0 0 0
	Fe5 .26344 .41047 .25063 .012 .0017 .0005 .0055 0 0 0
	Al6 0 0 0 .525 .0015 .0003 .0047 0 .0012 0
	Mg6 0 0 0 .03 .0015 .0003 .0047 0 .0012 0
	Al7 0 0 .5 .42 .0014 .0003 .0045 0 -.0015 0
	Mg7 0 0 .5 .025 .0014 .0003 .0045 0 -.0015 0
	Fe8 .5 0 0 .05 .98
	Fe9 .5 0 .5 .04 1.26
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	Staurolite
	Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
	The Canadian Mineralogist 31 (1993) 551-582
	The crystal chemistry of staurolite. I. Crystal structure and site populations
	Sample Code: MUS/3
	Locality: Pizzo Forno, Switzerland
	_database_code_amcsd 0005320
	7.8689 16.6198 5.6566 90 90.164 90 C2/m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	O1 .23341 0 .96331 .0031 .0003 .007 0 .0012 0
	O2 .23579 0 .53343 .0034 .0004 .0069 0 -.0007 0
	O3 .25550 .16141 .01511 .0016 .0004 .0036 -.0002 .0002 -.0001
	O4 .25448 .16112 .48397 .0017 .0004 .0035 .0002 -.0003 0
	O5 .00154 .08882 .24588 .0014 .0005 .0083 0 -.0002 -.0001
	O6 .02157 .24920 .24976 .0019 .0003 .004 0 -.0001 .0001
	O7 .52709 .10030 .24960 .0013 .0004 .004 0 .0001 0
	Si1 .13413 .16604 .24870 .945 .001 .0002 .0029 0 -.0001 0
	Al1 .13413 .16604 .24870 .055 .001 .0002 .0029 0 -.0001 0
	Fe1 .39251 0 .24751 .76 .0056 .0004 .0134 0 -.0002 0
	Mg1 .39251 0 .24751 .16 .0056 .0004 .0134 0 -.0002 0
	Li1 .39251 0 .24751 .025 .0056 .0004 .0134 0 -.0002 0
	Zn1 .39251 0 .24751 .03 .0056 .0004 .0134 0 -.0002 0
	Al3 .5 .17538 0 .97 .0013 .0003 .0026 0 -.0001 0
	Mg3 .5 .17538 0 .03 .0013 .0003 .0026 0 -.0001 0
	Al4 .5 .17523 .5 .97 .0014 .0003 .0026 0 0 0
	Mg4 .5 .17523 .5 .03 .0014 .0003 .0026 0 0 0
	Al5 .26322 .41039 .25152 .978 .0013 .0004 .0046 0 0 0
	Mg5 .26322 .41039 .25152 .01 .0013 .0004 .0046 0 0 0
	Fe2 .26322 .41039 .25152 .012 .0013 .0003 .0026 0 -.0001 0
	Al6 0 0 0 .59 .0015 .0003 .0043 0 .0011 0
	Mg6 0 0 0 .035 .0015 .0003 .0043 0 .0011 0
	Al7 0 0 .5 .355 .0014 .0003 .0042 0 -.0013 0
	Mg7 0 0 .5 .02 .0014 .0003 .0042 0 -.0013 0
	Fe3 .5 0 0 .05 .0014 .0003 .0026 0 0 0
	Fe4 .5 0 .5 .02 1.127
	H1 .125 0 .05 .4 8.23
	H2 .125 0 .45 .35 10.78
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	Staurolite
	Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
	The Canadian Mineralogist 31 (1993) 551-582
	The crystal chemistry of staurolite. I. Crystal structure and site populations
	Sample Code: PIO/11
	Locality: Brazil
	_database_code_amcsd 0005321
	7.8669 16.6216 5.6569 90 90.030 90 C2/m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	O1 .23470 0 .96469 .0036 .0004 .0071 0 .0007 0
	O2 .23504 0 .53488 .0036 .0004 .0075 0 -.0008 0
	O3 .25505 .16135 .01560 .0017 .0005 .0038 -.0002 .0002 0
	O4 .25503 .16130 .48441 .0017 .0004 .0039 .0002 -.0003 0
	O5 .00163 .08886 .24960 .0015 .0005 .0091 0 -.0001 -.0001
	O6 .02140 .24927 .25001 .002 .0004 .0041 0 -.0002 .0001
	O7 .52689 .10018 .24993 .0015 .0004 .0042 0 0 -.0001
	Si1 .13416 .16610 .24987 .935 .0011 .0003 .0034 0 -.0001 0
	Al1 .13416 .16610 .24987 .065 .0011 .0003 .0034 0 -.0001 0
	Fe1 .39134 0 .24963 .73 .006 .0004 .0135 0 -.0001 0
	Mg1 .39134 0 .24963 .105 .006 .0004 .0135 0 -.0001 0
	Al2 .39134 0 .24963 .055 .006 .0004 .0135 0 -.0001 0
	Li1 .39134 0 .24963 .025 .006 .0004 .0135 0 -.0001 0
	Zn1 .39134 0 .24963 .02 .006 .0004 .0135 0 -.0001 0
	Al3 .5 .17516 0 .96 .0016 .0004 .0031 0 -.0001 0
	Mg3 .5 .17516 0 .03 .0016 .0004 .0031 0 -.0001 0
	Fe3 .5 .17516 0 .01 .0016 .0004 .0031 0 -.0001 0
	Al4 .5 .17514 .5 .96 .0016 .0004 .0031 0 0 0
	Mg4 .5 .17514 .5 .03 .0016 .0004 .0031 0 0 0
	Fe4 .5 .17514 .5 .01 .0016 .0004 .0031 0 0 0
	Al5 .26318 .41055 .25018 .965 .0017 .0005 .0054 0 0 0
	Mg5 .26318 .41055 .25018 .007 .0017 .0005 .0054 0 0 0
	Fe5 .26318 .41055 .25018 .028 .0017 .0005 .0054 0 0 0
	Al6 0 0 0 .49 .0015 .0004 .0051 0 .001 0
	Mg6 0 0 0 .025 .0015 .0004 .0051 0 .001 0
	Al7 0 0 .5 .46 .0015 .0004 .005 0 -.0013 0
	Mg7 0 0 .5 .025 .0015 .0004 .005 0 -.0013 0
	Fe8 .5 0 0 .035 1.177
	Fe9 .5 0 .5 .03 .921
	H1 .125 0 .05 .4 8.81
	H2 .125 0 .455 .35 9.99
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	Staurolite
	Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
	The Canadian Mineralogist 31 (1993) 551-582
	The crystal chemistry of staurolite. I. Crystal structure and site populations
	Sample Code: PIO/13
	Locality: Brazil
	_database_code_amcsd 0005322
	7.8650 16.60899 5.6560 90 90.028 90 C2/m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	O1 .23398 0 .96441 .0035 .0004 .007 0 .0008 0
	O2 .23443 0 .53467 .0036 .0004 .0071 0 -.0007 0
	O3 .25512 .16135 .01554 .0018 .0004 .0035 -.0002 .0002 0
	O4 .25500 .16132 .48425 .0017 .0004 .0036 .0002 -.0002 0
	O5 .00158 .08887 .24906 .0015 .0005 .0093 0 0 -.0001
	O6 .02148 .24930 .25006 .0019 .0003 .0038 0 0 .0001
	O7 .52690 .10014 .24990 .0016 .0004 .0039 0 0 0
	Si1 .13415 .16609 .24975 .935 .0011 .0003 .0031 0 0 0
	Al1 .13415 .16609 .24975 .065 .0011 .0003 .0031 0 0 0
	Fe1 .39136 0 .24952 .78 .0061 .0004 .0133 0 -.0001 0
	Mg1 .39136 0 .24952 .13 .0061 .0004 .0133 0 -.0001 0
	Li1 .39136 0 .24952 .023 .0061 .0004 .0133 0 -.0001 0
	Zn1 .39136 0 .24952 .02 .0061 .0004 .0133 0 -.0001 0
	Al3 .5 .17514 0 .965 .0016 .0003 .0028 0 0 0
	Mg3 .5 .17514 0 .025 0
	Fe3 .5 .17514 0 .01 0
	Al4 .5 .17510 .5 .965 0
	Mg4 .5 .17510 .5 .025 0
	Fe4 .5 .17510 .5 .01 0
	Al5 .26313 .41051 .25031 .98 0
	Mg5 .26313 .41051 .25031 .008 0
	Fe5 .26313 .41051 .25031 .012 0
	Al6 0 0 0 .49 0
	Mg6 0 0 0 .025 0
	Al7 0 0 .5 .46 0
	Mg7 0 0 .5 .025 0
	Fe8 .5 0 0 .04 .93
	Fe9 .5 0 .5 .03 .873
	H1 .125 0 .05 .4 .86
	H2 .125 0 .455 .35 1.69
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	Staurolite
	Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
	The Canadian Mineralogist 31 (1993) 551-582
	The crystal chemistry of staurolite. I. Crystal structure and site populations
	Sample Code: DW7/4
	Locality: Antarctica
	_database_code_amcsd 0005323
	7.8750 16.6140 5.6580 90 90.045 90 C2/m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	O1 .23445 0 .96429 .0036 .0004 .0072 0 .001 0
	O2 .23521 0 .53475 .0036 .0004 .0069 0 -.0008 0
	O3 .25512 .16146 .01569 .0018 .0004 .0037 -.0002 .0002 0
	O4 .25484 .16132 .48404 .0019 .0004 .0037 .0001 -.0002 0
	O5 .00166 .08914 .24876 .0015 .0005 .0087 0 -.0001 -.0001
	O6 .02172 .24931 .24985 .0021 .0004 .004 0 0 .0002
	O7 .52749 .10009 .24980 .0016 .0004 .0041 0 0 -.0001
	Si1 .13409 .16613 .24960 .96 .0012 .0003 .0032 0 0 0
	Al1 .13409 .16613 .24960 .04 .0012 .0003 .0032 0 0 0
	Fe1 .39321 0 .24927 .705 .0054 .0004 .0149 0 -.0001 0
	Mg1 .39321 0 .24927 .12 .0054 .0004 .0149 0 -.0001 0
	Li1 .39321 0 .24927 .03 .0054 .0004 .0149 0 -.0001 0
	Zn1 .39321 0 .24927 .05 .0054 .0004 .0149 0 -.0001 0
	Al3 .5 .17515 0 .965 .0017 .0004 .0031 0 -.0001 0
	Mg3 .5 .17515 0 .025 .0017 .0004 .0031 0 -.0001 0
	Fe3 .5 .17515 0 .01 .0017 .0004 .0031 0 -.0001 0
	Al4 .5 .17506 .5 .965 .0017 .0004 .0031 0 .0001 0
	Mg4 .5 .17506 .5 .025 .0017 .0004 .0031 0 .0001 0
	Fe4 .5 .17506 .5 .01 .0017 .0004 .0031 0 .0001 0
	Al5 .26384 .41029 .25041 .97 .0016 .0004 .005 0 0 0
	Mg5 .26384 .41029 .25041 .006 .0016 .0004 .005 0 0 0
	Fe5 .26384 .41029 .25041 .024 .0016 .0004 .005 0 0 0
	Al6 0 0 0 .52 .0019 .0004 .0048 0 .001 0
	Mg6 0 0 0 .027 .0019 .0004 .0048 0 .001 0
	Al7 0 0 .5 .45 .0016 .0005 .0045 0 -.0012 0
	Mg7 0 0 .5 .023 .0016 .0005 .0045 0 -.0012 0
	Fe8 .5 0 0 .055 1.063
	Fe9 .5 0 .5 .045 1.16
	H1 .125 0 .05 .4 1.18
	H2 .125 0 .45 .35 2.09
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	Staurolite
	Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
	The Canadian Mineralogist 31 (1993) 551-582
	The crystal chemistry of staurolite. I. Crystal structure and site populations
	Sample Code: DW7/8II
	Locality: Antarctica
	_database_code_amcsd 0005324
	7.8682 16.6218 5.6573 90 90.104 90 C2/m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	O1 .23393 0 .96345 .0029 .0004 .0065 0 .0009 0
	O2 .23547 0 .53412 .0032 .0004 .007 0 -.0005 0
	O3 .25534 .16157 .01530 .0014 .0004 .0036 -.0002 .0002 0
	O4 .25472 .16127 .48393 .0015 .0004 .0035 .0002 -.0003 0
	O5 .00170 .08917 .24676 .0012 .0005 .0086 0 0 -.0001
	O6 .02150 .24935 .24989 .0017 .0004 .0036 0 0 .0002
	O7 .52740 .10017 .24958 .0013 .0004 .0039 0 0 0
	Si1 .13415 .16617 .24905 .95 .0009 .0003 .003 0 0 0
	Al1 .13415 .16617 .24905 .05 .0009 .0003 .003 0 0 0
	Fe1 .39318 0 .24827 .62 .0051 .0004 .014 0 -.0001 0
	Mg1 .39318 0 .24827 .11 .0051 .0004 .014 0 -.0001 0
	Li1 .39318 0 .24827 .03 .0051 .0004 .014 0 -.0001 0
	Zn1 .39318 0 .24827 .055 .0051 .0004 .014 0 -.0001 0
	Al2 .39318 0 .24827 .105 .0051 .0004 .014 0 -.0001 0
	Al3 .5 .17510 0 .96 .0016 .0004 .0031 0 -.0001 0
	Mg3 .5 .17510 0 .02 .0016 .0004 .0031 0 -.0001 0
	Fe3 .5 .17510 0 .02 .0016 .0004 .0031 0 -.0001 0
	Al4 .5 .17483 .5 .96 .0015 .0004 .0032 0 .0001 0
	Mg4 .5 .17483 .5 .02 .0015 .0004 .0032 0 .0001 0
	Fe4 .5 .17483 .5 .02 .0015 .0004 .0032 0 .0001 0
	Al5 .26386 .41029 .25112 .954 .0016 .0005 .0052 0 0 0
	Mg5 .26386 .41029 .25112 .008 .0016 .0005 .0052 0 0 0
	Fe5 .26386 .41029 .25112 .038 .0016 .0005 .0052 0 0 0
	Al6 0 0 0 .55 .0015 .0004 .0043 0 .001 0
	Mg6 0 0 0 .025 .0015 .0004 .0043 0 .001 0
	Al7 0 0 .5 .37 .0014 .0004 .0046 0 -.0013 0
	Mg7 0 0 .5 .02 .0014 .0004 .0046 0 -.0013 0
	Fe8 .5 0 0 .075 .858
	Fe9 .5 0 .5 .045 .835
	H1 .125 0 .05 .4 4.7
	H2 .125 0 .455 .35 9.03
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	Staurolite
	Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
	The Canadian Mineralogist 31 (1993) 551-582
	The crystal chemistry of staurolite. I. Crystal structure and site populations
	Sample Code: DER/10-2
	Locality: Derivo, Italy
	_database_code_amcsd 0005325
	7.8682 16.6218 5.6573 90 90.104 90 C2/m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	O1 .23356 0 .96361 .0035 .0004 .0067 0 .001 0
	O2 .23522 0 .53390 .0038 .0004 .0068 0 -.0006 0
	O3 .25529 .16140 .01540 .0018 .0004 .0036 -.0002 .0003 -.0001
	O4 .25459 .16122 .48404 .0019 .0004 .0036 .0002 -.0002 0
	O5 .00148 .08883 .24712 .0016 .0004 .0088 0 0 -.0001
	O6 .02158 .24919 .24980 .002 .0003 .0036 0 0 .0001
	O7 .52697 .10037 .24970 .0017 .0004 .0038 0 .0001 0
	Si1 .13405 .16604 .24917 .94 .0012 .0003 .0031 0 0 0
	Al1 .13405 .16604 .24917 .06 .0012 .0003 .0031 0 0 0
	Fe1 .39205 0 .24838 .85 .0062 .0004 .0135 0 -.0002 0
	Mg1 .39205 0 .24838 .06 .0062 .0004 .0135 0 -.0002 0
	Li1 .39205 0 .24838 .03 .0062 .0004 .0135 0 -.0002 0
	Zn1 .39205 0 .24838 .01 .0062 .0004 .0135 0 -.0002 0
	Al3 .5 .17529 0 .965 .0016 .0003 .0027 0 0 0
	Mg3 .5 .17529 0 .03 .0016 .0003 .0027 0 0 0
	Fe3 .5 .17529 0 .005 .0016 .0003 .0027 0 0 0
	Al4 .5 .17522 .5 .965 .0016 .0003 .0025 0 0 0
	Mg4 .5 .17522 .5 .03 .0016 .0003 .0025 0 0 0
	Fe4 .5 .17522 .5 .005 .0016 .0003 .0025 0 0 0
	Al5 .26302 .41048 .25092 .98 .0015 .0004 .0045 0 0 0
	Mg5 .26302 .41048 .25092 .015 .0015 .0004 .0045 0 0 0
	Fe5 .26302 .41048 .25092 .005 .0015 .0004 .0045 0 0 0
	Al6 0 0 0 .54 .0015 .0003 .0039 0 .0014 0
	Mg6 0 0 0 .035 .0015 .0003 .0039 0 .0014 0
	Al7 0 0 .5 .4 .0016 .0003 .0033 0 -.0016 0
	Mg7 0 0 .5 .025 .0016 .0003 .0033 0 -.0016 0
	Fe8 .5 0 0 .035 .77
	Fe9 .5 0 .5 .025 .941
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	Staurolite
	Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
	The Canadian Mineralogist 31 (1993) 551-582
	The crystal chemistry of staurolite. I. Crystal structure and site populations
	Sample Code: DER/2
	Locality: Derivo, Italy
	_database_code_amcsd 0005326
	7.8723 16.62259 5.6619 90 90.114 90 C2/m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	O1 .23386 0 .96377 .0033 .0004 .007 0 .0011 0
	O2 .23545 0 .53411 .0035 .0004 .0071 0 -.0008 0
	O3 .25535 .16140 .01518 .0015 .0005 .0035 -.0002 .0002 0
	O4 .25466 .16121 .48413 .0016 .0004 .0036 .0002 -.0001 0
	O5 .00161 .08870 .24747 .0014 .0005 .0086 0 -.0001 0
	O6 .02135 .24924 .24980 .002 .0003 .004 0 -.0001 .0002
	O7 .52705 .10028 .24987 .0015 .0004 .0039 0 -.0001 -.0001
	Si1 .13413 .16606 .24915 .94 .0011 .0003 .0031 0 0 0
	Al1 .13413 .16606 .24915 .06 .0011 .0003 .0031 0 0 0
	Fe1 .39232 0 .24852 .85 .0059 .0004 .0137 0 -.0001 0
	Mg1 .39232 0 .24852 .06 .0059 .0004 .0137 0 -.0001 0
	Li1 .39232 0 .24852 .03 .0059 .0004 .0137 0 -.0001 0
	Zn1 .39232 0 .24852 .01 .0059 .0004 .0137 0 -.0001 0
	Al3 .5 .17528 0 .965 .0016 .0004 .0029 0 -.0001 0
	Mg3 .5 .17528 0 .03 .0016 .0004 .0029 0 -.0001 0
	Fe3 .5 .17528 0 .005 .0016 .0004 .0029 0 -.0001 0
	Al4 .5 .17519 .5 .965 .0016 .0004 .0028 0 0 0
	Mg4 .5 .17519 .5 .03 .0016 .0004 .0028 0 0 0
	Fe4 .5 .17519 .5 .005 .0016 .0004 .0028 0 0 0
	Al5 .26323 .41039 .25092 .98 .0015 .0004 .0047 0 0 0
	Mg5 .26323 .41039 .25092 .015 .0015 .0004 .0047 0 0 0
	Fe5 .26323 .41039 .25092 .005 .0015 .0004 .0047 0 0 0
	Al6 0 0 0 .54 .0017 .0004 .0044 0 .0009 0
	Mg6 0 0 0 .035 .0017 .0004 .0044 0 .0009 0
	Al7 0 0 .5 .4 .0016 .0004 .0038 0 -.0012 0
	Mg7 0 0 .5 .025 .0016 .0004 .0038 0 -.0012 0
	Fe8 .5 0 0 .035 .77
	Fe9 .5 0 .5 .025 .941
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	Staurolite
	Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
	The Canadian Mineralogist 31 (1993) 551-582
	The crystal chemistry of staurolite. I. Crystal structure and site populations
	Sample Code: DER/1
	Locality: Derivo, Italy
	_database_code_amcsd 0005327
	7.8710 16.62399 5.6605 90 90.120 90 C2/m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	O1 .23375 0 .96346 .0033 .0003 .0069 0 .0011 0
	O2 .23576 0 .53335 .0036 .0003 .0069 0 -.0005 0
	O3 .25546 .16135 .01519 .0016 .0004 .0031 -.0001 .0005 0
	O4 .25461 .16118 .48408 .0016 .0003 .0033 .0001 -.0001 0
	O5 .00153 .08877 .24686 .0014 .0004 .0081 0 0 -.0001
	O6 .02118 .24924 .24978 .002 .0003 .0035 0 .0002 .0001
	O7 .52696 .10033 .24972 .0014 .0003 .0037 0 .0001 0
	Si1 .13412 .16604 .24903 .94 .001 .0002 .0029 0 .0001 0
	Al1 .13412 .16604 .24903 .06 .001 .0002 .0029 0 .0001 0
	Fe1 .39189 0 .24811 .84 .006 .0003 .0131 0 -.0001 0
	Mg1 .39189 0 .24811 .065 .006 .0003 .0131 0 -.0001 0
	Li1 .39189 0 .24811 .028 .006 .0003 .0131 0 -.0001 0
	Zn1 .39189 0 .24811 .008 .006 .0003 .0131 0 -.0001 0
	Al3 .5 .17536 0 .97 .0016 .0003 .0026 0 .0001 0
	Mg3 .5 .17536 0 .03 .0016 .0003 .0026 0 .0001 0
	Al4 .5 .17522 .5 .97 .0015 .0003 .0025 0 .0002 0
	Mg4 .5 .17522 .5 .03 .0015 .0003 .0025 0 .0002 0
	Al5 .26309 .41041 .25118 .978 .0016 .0004 .0047 0 .0001 0
	Mg5 .26309 .41041 .25118 .014 .0016 .0004 .0047 0 .0001 0
	Fe5 .26309 .41041 .25118 .008 .0016 .0004 .0047 0 .0001 0
	Al6 0 0 0 .56 .0015 .0002 .0043 0 .0011 0
	Mg6 0 0 0 .03 .0015 .0002 .0043 0 .0011 0
	Al7 0 0 .5 .39 .0015 .0003 .0042 0 -.001 0
	Mg7 0 0 .5 .02 .0015 .0003 .0042 0 -.001 0
	Fe8 .5 0 0 .045 .824
	Fe9 .5 0 .5 .025 .992
	H1 .125 0 .05 .35 4.54
	H2 .125 0 .45 .4 1.24
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	Staurolite
	Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
	The Canadian Mineralogist 31 (1993) 551-582
	The crystal chemistry of staurolite. I. Crystal structure and site populations
	Sample Code: DER/10-4
	Locality: Derivo, Italy
	_database_code_amcsd 0005328
	7.8687 16.62219 5.6604 90 90.122 90 C2/m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	O1 .23336 0 .96360 .0033 .0004 .0067 0 .0012 0
	O2 .23526 0 .53387 .0036 .0004 .0069 0 -.0007 0
	O3 .25526 .16138 .01512 .0017 .0004 .0037 -.0002 .0004 -.0001
	O4 .25461 .16122 .48404 .0018 .0004 .0036 .0002 -.0001 0
	O5 .00141 .08879 .24680 .0014 .0005 .0089 0 0 -.0001
	O6 .02160 .24918 .24995 .002 .0003 .004 0 0 .0001
	O7 .52702 .10030 .24971 .0015 .0004 .0035 0 0 0
	Si1 .13406 .16604 .24903 .94 .0011 .0003 .0029 0 .0001 0
	Al1 .13406 .16604 .24903 .06 .0011 .0003 .0029 0 .0001 0
	Fe1 .39228 0 .24835 .84 .006 .0004 .0133 0 -.0001 0
	Mg1 .39228 0 .24835 .065 .006 .0004 .0133 0 -.0001 0
	Li1 .39228 0 .24835 .028 .006 .0004 .0133 0 -.0001 0
	Zn1 .39228 0 .24835 .008 .006 .0004 .0133 0 -.0001 0
	Al3 .5 .17529 0 .97 .0015 .0003 .0026 0 0 0
	Mg3 .5 .17529 0 .03 .0015 .0003 .0026 0 0 0
	Al4 .5 .17520 .5 .97 .0014 .0003 .0025 0 .0001 0
	Mg4 .5 .17520 .5 .03 .0014 .0003 .0025 0 .0001 0
	Al5 .26301 .41044 .25098 .978 .0014 .0004 .0043 0 .0001 0
	Mg5 .26301 .41044 .25098 .014 .0014 .0004 .0043 0 .0001 0
	Fe5 .26301 .41044 .25098 .008 .0014 .0004 .0043 0 .0001 0
	Al6 0 0 0 .56 .0016 .0003 .0038 0 .0014 0
	Mg6 0 0 0 .03 .0016 .0003 .0038 0 .0014 0
	Al7 0 0 .5 .39 .0014 .0004 .0033 0 -.0016 0
	Mg7 0 0 .5 .02 .0014 .0004 .0033 0 -.0016 0
	Fe8 .5 0 0 .045 .894
	Fe9 .5 0 .5 .025 1.034
	H1 .125 0 .05 .35 .01
	H2 .125 0 .45 .4 .01
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	Staurolite
	Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
	The Canadian Mineralogist 31 (1993) 551-582
	The crystal chemistry of staurolite. I. Crystal structure and site populations
	Sample Code: MAR/FP15
	Locality: Derivo, Italy
	_database_code_amcsd 0005329
	7.8695 16.60759 5.6558 90 90.001 90 C2/m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	O1 .23461 0 .96468 .0035 .0003 .0071 0 .0011 0
	O2 .23493 0 .53474 .0035 .0003 .0071 0 -.001 0
	O3 .25523 .16128 .01537 .0016 .0004 .0037 -.0002 .0002 -.0001
	O4 .25503 .16129 .48467 .0016 .0004 .0039 .0002 -.0001 0
	O5 .00152 .08876 .24971 .0014 .0005 .0092 0 .0001 -.0001
	O6 .02140 .24936 .25018 .002 .0003 .0039 0 0 .0002
	O7 .52671 .09997 .24994 .0014 .0004 .0041 0 0 0
	Si1 .13416 .16612 .24996 .947 .0011 .0003 .0032 0 0 0
	Al1 .13416 .16612 .24996 .053 .0011 .0003 .0032 0 0 0
	Fe1 .39107 0 .24991 .71 .0059 .0004 .0131 0 0 0
	Mg1 .39107 0 .24991 .105 .0059 .0004 .0131 0 0 0
	Li1 .39107 0 .24991 .028 .0059 .0004 .0131 0 0 0
	Zn1 .39107 0 .24991 .023 .0059 .0004 .0131 0 0 0
	Al2 .39107 0 .24991 .043 .0059 .0004 .0131 0 0 0
	Al3 .5 .17511 0 .96 .0015 .0003 .0027 0 0 0
	Mg3 .5 .17511 0 .025 .0015 .0003 .0027 0 0 0
	Fe3 .5 .17511 0 .015 .0015 .0003 .0027 0 0 0
	Al4 .5 .17511 .5 .96 .0015 .0003 .0027 0 0 0
	Mg4 .5 .17511 .5 .025 .0015 .0003 .0027 0 0 0
	Fe4 .5 .17511 .5 .015 .0015 .0003 .0027 0 0 0
	Al5 .26288 .41053 .25011 .963 .0014 .0004 .0048 0 0 0
	Mg5 .26288 .41035 .25011 .007 .0014 .0004 .0048 0 0 0
	Fe5 .26288 .41035 .25011 .03 .0014 .0004 .0048 0 0 0
	Al6 0 0 0 .48 .0015 .0003 .0044 0 .0015 0
	Mg6 0 0 0 .025 .0015 .0003 .0044 0 .0015 0
	Al7 0 0 .5 .475 .0014 .0003 .0043 0 -.0013 0
	Mg7 0 0 .5 .02 .0014 .0003 .0043 0 -.0013 0
	Fe8 .5 0 0 .05 1.082
	Fe9 .5 0 .5 .045 1.013
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	Staurolite
	Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
	The Canadian Mineralogist 31 (1993) 551-582
	The crystal chemistry of staurolite. I. Crystal structure and site populations
	Sample Code: MAR/1
	Locality: Ticino River, Italy
	_database_code_amcsd 0005330
	7.8683 16.61989 5.6614 90 90.050 90 C2/m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	O1 .23464 0 .96434 .0037 .0004 .0074 0 .001 0
	O2 .23535 0 .53464 .0038 .0004 .0072 0 -.0006 0
	O3 .25516 .16135 .01553 .0017 .0004 .004 -.0001 .0003 0
	O4 .25484 .16130 .48427 .0017 .0004 .004 .0002 -.0001 0
	O5 .00154 .08890 .24880 .0015 .0005 .0093 0 0 -.0001
	O6 .02145 .24922 .24983 .002 .0004 .0043 0 0 .0002
	O7 .52692 .10029 .24970 .0016 .0004 .0045 0 .0001 -.0001
	Si1 .13411 .16605 .24959 .947 .0012 .0003 .0035 0 .0001 0
	Al1 .13411 .16605 .24959 .053 .0012 .0003 .0035 0 .0001 0
	Fe1 .39135 0 .24936 .71 .0062 .0004 .0139 0 0 0
	Mg1 .39135 0 .24936 .105 .0062 .0004 .0139 0 0 0
	Li1 .39135 0 .24936 .028 .0062 .0004 .0139 0 0 0
	Zn1 .39135 0 .24936 .023 .0062 .0004 .0139 0 0 0
	Al2 .39135 0 .24936 .043 .0062 .0004 .0139 0 0 0
	Al3 .5 .17525 0 .96 .0017 .0004 .0033 0 0 0
	Mg3 .5 .17525 0 .025 .0017 .0004 .0033 0 0 0
	Fe3 .5 .17525 0 .015 .0017 .0004 .0033 0 0 0
	Al4 .5 .17523 .5 .96 .0017 .0004 .0033 0 .0001 0
	Mg4 .5 .17523 .5 .025 .0017 .0004 .0033 0 .0001 0
	Fe4 .5 .17523 .5 .015 .0017 .0004 .0033 0 .0001 0
	Al5 .26316 .41062 .25043 .963 .0017 .0005 .0055 0 .0001 0
	Mg5 .26316 .41062 .25043 .007 .0017 .0005 .0055 0 .0001 0
	Fe5 .26316 .41062 .25043 .03 .0017 .0005 .0055 0 .0001 0
	Al6 0 0 0 .51 .0017 .0004 .0052 0 .0011 0
	Mg6 0 0 0 .025 .0017 .0004 .0052 0 .0011 0
	Al7 0 0 .5 .445 .0016 .0004 .0055 0 -.0011 0
	Mg7 0 0 .5 .02 .0016 .0004 .0055 0 -.0011 0
	Fe8 .5 0 0 .05 .997
	Fe9 .5 0 .5 .045 1.181
	H1 .125 0 .05 .4 2.43
	H2 .125 0 .45 .35 3.98
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	Staurolite
	Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
	The Canadian Mineralogist 31 (1993) 551-582
	The crystal chemistry of staurolite. I. Crystal structure and site populations
	Sample Code: MAR/15
	Locality: Ticino River, Italy
	_database_code_amcsd 0005331
	7.8666 16.6198 5.6581 90 90.090 90 C2/m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	O1 .23406 0 .96401 .0033 .0003 .0067 0 .0009 0
	O2 .23529 0 .53415 .0034 .0003 .0065 0 -.0006 0
	O3 .25518 .16149 .01542 .0014 .0004 .0032 -.0001 .0003 0
	O4 .25489 .16130 .48404 .0015 .0004 .0031 .0001 -.0002 0
	O5 .00179 .08905 .24767 .0013 .0004 .0082 0 .0001 -.0001
	O6 .02149 .24923 .25016 .0018 .0003 .0033 0 0 .0002
	O7 .52728 .10026 .24988 .0012 .0004 .0035 0 .0001 -.0001
	Si1 .13417 .16612 .24913 .947 .0009 .0002 .0027 0 .0001 0
	Al1 .13417 .16612 .24913 .053 .0009 .0002 .0027 0 .0001 0
	Fe1 .39243 0 .24882 .71 .0057 .0003 .0128 0 -.0001 0
	Mg1 .39243 0 .24882 .105 .0057 .0003 .0128 0 -.0001 0
	Li1 .39243 0 .24882 .028 .0057 .0003 .0128 0 -.0001 0
	Zn1 .39243 0 .24882 .023 .0057 .0003 .0128 0 -.0001 0
	Al2 .39243 0 .24882 .043 .0057 .0003 .0128 0 -.0001 0
	Al3 .5 .17520 0 .96 .0016 .0003 .0027 0 0 0
	Mg3 .5 .17520 0 .025 .0016 .0003 .0027 0 0 0
	Fe3 .5 .17520 0 .015 .0016 .0003 .0027 0 0 0
	Al4 .5 .17501 .5 .96 .0015 .0003 .0026 0 .0001 0
	Mg4 .5 .17501 .5 .025 .0015 .0003 .0026 0 .0001 0
	Fe4 .5 .17501 .5 .015 .0015 .0003 .0026 0 .0001 0
	Al5 .26367 .41049 .25082 .963 .0014 .0004 .0046 0 .0001 0
	Mg5 .26367 .41049 .25082 .007 .0014 .0004 .0046 0 .0001 0
	Fe5 .26367 .41049 .25082 .03 .0014 .0004 .0046 0 .0001 0
	Al6 0 0 0 .54 .0014 .0003 .0043 0 .0011 0
	Mg6 0 0 0 .025 .0014 .0003 .0043 0 .0011 0
	Al7 0 0 .5 .415 .0017 .0003 .0047 0 -.001 0
	Mg7 0 0 .5 .02 .0017 .0003 .0047 0 -.001 0
	Fe8 .5 0 0 .055 .826
	Fe9 .5 0 .5 .04 1.2
	H1 .125 0 .05 .4 .01
	H2 .125 0 .45 .35 .86
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	Staurolite
	Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
	The Canadian Mineralogist 31 (1993) 551-582
	The crystal chemistry of staurolite. I. Crystal structure and site populations
	Sample Code: MAR/16
	Locality: Ticino River, Italy
	_database_code_amcsd 0005332
	7.8663 16.62479 5.6601 90 90.100 90 C2/m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	O1 .23408 0 .96371 .0034 .0003 .0068 0 .0008 0
	O2 .23570 0 .53461 .0035 .0003 .007 0 -.0007 0
	O3 .25543 .16154 .01531 .0014 .0004 .0035 -.0002 .0002 0
	O4 .25484 .16135 .48398 .0016 .0004 .0036 .0002 -.0003 0
	O5 .00164 .08897 .24731 .0013 .0004 .0087 0 -.0002 -.0001
	O6 .02154 .24918 .25001 .0019 .0003 .0036 0 -.0001 .0002
	O7 .52698 .10026 .24947 .0013 .0004 .0036 0 -.0002 -.0001
	Si1 .13413 .16604 .24919 .947 .001 .0003 .003 0 0 0
	Al1 .13413 .16604 .24919 .053 .001 .0003 .003 0 0 0
	Fe1 .39155 0 .24885 .71 .0062 .0004 .0123 0 -.0002 0
	Mg1 .39155 0 .24885 .105 .0062 .0004 .0123 0 -.0002 0
	Li1 .39155 0 .24885 .028 .0062 .0004 .0123 0 -.0002 0
	Zn1 .39155 0 .24885 .023 .0062 .0004 .0123 0 -.0002 0
	Al2 .39155 0 .24885 .043 .0062 .0004 .0123 0 -.0002 0
	Al3 .5 .17525 0 .96 .0016 .0003 .003 0 -.0001 0
	Mg3 .5 .17525 0 .025 .0016 .0003 .003 0 -.0001 0
	Fe3 .5 .17525 0 .015 .0016 .0003 .003 0 -.0001 0
	Al4 .5 .17517 .5 .96 .0015 .0004 .0029 0 0 0
	Mg4 .5 .17517 .5 .025 .0015 .0004 .0029 0 0 0
	Fe4 .5 .17517 .5 .015 .0015 .0004 .0029 0 0 0
	Al5 .26338 .41069 .25087 .963 .0015 .0004 .005 0 0 0
	Mg5 .26338 .41069 .25087 .007 .0015 .0004 .005 0 0 0
	Fe5 .26338 .41069 .25087 .03 .0015 .0004 .005 0 0 0
	Al6 0 0 0 .54 .0017 .0004 .0047 0 .0007 0
	Mg6 0 0 0 .025 .0017 .0004 .0047 0 .0007 0
	Al7 0 0 .5 .415 .0016 .0003 .0051 0 -.0014 0
	Mg7 0 0 .5 .02 .0016 .0003 .0051 0 -.0014 0
	Fe8 .5 0 0 .055 1.199
	Fe9 .5 0 .5 .04 1.794
	H1 .125 0 .05 .4 .01
	H2 .125 0 .45 .35 .29
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	Staurolite
	Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
	The Canadian Mineralogist 31 (1993) 551-582
	The crystal chemistry of staurolite. I. Crystal structure and site populations
	Sample Code: MAR/5g
	Locality: Ticino River, Italy
	_database_code_amcsd 0005333
	7.8667 16.6113 5.6543 90 90.159 90 C2/m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	O1 .23324 0 .96352 .003 .0004 .0061 0 .0014 0
	O2 .23564 0 .53355 .0036 .0004 .006 0 -.0007 0
	O3 .25564 .16165 .01487 .0015 .0004 .0033 -.0002 .0002 -.0001
	O4 .25482 .16131 .48407 .0016 .0004 .0033 .0002 -.0001 -.0001
	O5 .00189 .08900 .24571 .0014 .0004 .0079 0 0 -.0001
	O6 .02142 .24943 .25007 .0019 .0003 .0033 0 0 .0002
	O7 .52740 .10001 .24939 .0015 .0004 .0033 0 0 -.0001
	Si1 .13424 .16621 .24896 .947 .001 .0003 .0026 0 0 0
	Al1 .13424 .16621 .24896 .053 .001 .0003 .0026 0 0 0
	Fe1 .39325 0 .24807 .65 .0052 .0003 .0127 0 .0001 0
	Mg1 .39325 0 .24807 .105 .0052 .0003 .0127 0 .0001 0
	Li1 .39325 0 .24807 .035 .0052 .0003 .0127 0 .0001 0
	Zn1 .39325 0 .24807 .025 .0052 .0003 .0127 0 .0001 0
	Al2 .39325 0 .24807 .07 .0052 .0003 .0127 0 .0001 0
	Al3 .5 .17507 0 .967 .0016 .0003 .0027 0 0 0
	Mg3 .5 .17507 0 .023 .0016 .0003 .0027 0 0 0
	Fe3 .5 .17507 0 .01 .0016 .0003 .0027 0 0 0
	Al4 .5 .17466 .5 .967 .0015 .0004 .0025 0 .0001 0
	Mg4 .5 .17466 .5 .023 .0015 .0004 .0025 0 .0001 0
	Fe4 .5 .17466 .5 .01 .0015 .0004 .0025 0 .0001 0
	Al5 .26378 .41031 .25145 .969 .0016 .0004 .0044 0 .0001 0
	Mg5 .26378 .41031 .25145 .006 .0016 .0004 .0044 0 .0001 0
	Fe5 .26378 .41031 .25145 .025 .0016 .0004 .0044 0 .0001 0
	Al6 0 0 0 .6 .0017 .0004 .0048 0 .0011 0
	Mg6 0 0 0 .03 .0017 .0004 .0048 0 .0011 0
	Al7 0 0 .5 .355 .0018 .0003 .0042 0 -.0014 0
	Mg7 0 0 .5 .015 .0018 .0003 .0042 0 -.0014 0
	Fe8 .5 0 0 .055 .698
	Fe9 .5 0 .5 .04 1.96
	H1 .125 0 .05 .35 1.09
	H2 .125 0 .45 .4 .01
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	Staurolite
	Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
	The Canadian Mineralogist 31 (1993) 551-582
	The crystal chemistry of staurolite. I. Crystal structure and site populations
	Sample Code: MAR/2
	Locality: Ticino River, Italy
	_database_code_amcsd 0005334
	7.8639 16.6189 5.6589 90 90.169 90 C2/m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	O1 .23340 0 .96302 .0032 .0003 .0069 0 .0012 0
	O2 .23618 0 .53372 .0037 .0003 .0069 0 -.0004 0
	O3 .25552 .16153 .01537 .0015 .0004 .0035 -.0002 .0003 0
	O4 .25437 .16126 .48387 .0017 .0004 .0035 .0002 -.0002 -.0001
	O5 .00177 .08894 .24523 .0014 .0004 .0085 0 0 -.0001
	O6 .02154 .24918 .24963 .0019 .0003 .0038 0 0 .0002
	O7 .52700 .10039 .24952 .0014 .0004 .0036 0 0 0
	Si1 .13413 .16602 .24851 .947 .001 .0002 .0029 0 0 0
	Al1 .13413 .16602 .24851 .053 .001 .0002 .0029 0 0 0
	Fe1 .39198 0 .24777 .69 .0062 .0003 .0124 0 -.0003 0
	Mg1 .39198 0 .24777 .095 .0062 .0003 .0124 0 -.0003 0
	Zn1 .39198 0 .24777 .01 .0062 .0003 .0124 0 -.0003 0
	Al2 .39198 0 .24777 .13 .0062 .0003 .0124 0 -.0003 0
	Al3 .5 .17527 0 .972 .0016 .0003 .0027 0 .0001 0
	Mg3 .5 .17527 0 .02 .0016 .0003 .0027 0 .0001 0
	Fe3 .5 .17527 0 .008 .0016 .0003 .0027 0 .0001 0
	Al4 .5 .17510 .5 .972 .0015 .0003 .0027 0 .0002 0
	Mg4 .5 .17510 .5 .02 .0015 .0003 .0027 0 .0002 0
	Fe4 .5 .17510 .5 .008 .0015 .0003 .0027 0 .0002 0
	Al5 .26336 .41067 .25170 .971 .0015 .0004 .0049 0 .0001 0
	Mg5 .26336 .41067 .25170 .005 .0015 .0004 .0049 0 .0001 0
	Fe5 .26336 .41067 .25170 .024 .0015 .0004 .0049 0 .0001 0
	Al6 0 0 0 .52 .0016 .0003 .0042 0 .001 0
	Mg6 0 0 0 .025 .0016 .0003 .0042 0 .001 0
	Fe6 0 0 0 .038 .0016 .0003 .0042 0 .001 0
	Al7 0 0 .5 .3 .0015 .0003 .0042 0 -.0014 0
	Mg7 0 0 .5 .015 .0015 .0003 .0042 0 -.0014 0
	Fe7 0 0 .5 .023 .0015 .0003 .0042 0 -.0014 0
	Fe8 .5 0 0 .055 .751
	Fe9 .5 0 .5 .02 1.802
	H1 .125 0 .05 .35 2.26
	H2 .125 0 .45 .4 1.15
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	Staurolite
	Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
	The Canadian Mineralogist 31 (1993) 551-582
	The crystal chemistry of staurolite. I. Crystal structure and site populations
	Sample Code: MAR/6-1
	Locality: Ticino River, Italy
	_database_code_amcsd 0005335
	7.8689 16.6202 5.6594 90 90.173 90 C2/m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	O1 .23354 0 .96312 .0031 .0003 .0066 0 .001 0
	O2 .23630 0 .53289 .0035 .0003 .0069 0 -.0005 0
	O3 .25557 .16156 .01516 .0014 .0004 .0036 -.0002 .0002 0
	O4 .25458 .16122 .48401 .0016 .0004 .0036 .0002 -.0002 0
	O5 .00170 .08903 .24528 .0012 .0005 .0083 0 0 -.0001
	O6 .02136 .24929 .24975 .0017 .0003 .0038 0 0 .0002
	O7 .52705 .10013 .24939 .0013 .0004 .0038 0 0 -.0001
	Si1 .13419 .16612 .24845 .947 .0008 .0003 .0033 0 0 0
	Al1 .13419 .16612 .24845 .053 .0008 .0003 .0033 0 0 0
	Fe1 .39191 0 .24727 .69 .0055 .0004 .0129 0 -.0002 0
	Mg1 .39191 0 .24727 .095 .0055 .0004 .0129 0 -.0002 0
	Zn1 .39191 0 .24727 .01 .0055 .0004 .0129 0 -.0002 0
	Al2 .39191 0 .24727 .13 .0055 .0004 .0129 0 -.0002 0
	Al3 .5 .17522 0 .972 .0015 .0004 .0032 0 -.0001 0
	Mg3 .5 .17522 0 .02 .0015 .0004 .0032 0 -.0001 0
	Fe3 .5 .17522 0 .008 .0015 .0004 .0032 0 -.0001 0
	Al4 .5 .17498 .5 .972 .0015 .0004 .0032 0 .0001 0
	Mg4 .5 .17498 .5 .02 .0015 .0004 .0032 0 .0001 0
	Fe4 .5 .17498 .5 .008 .0015 .0004 .0032 0 .0001 0
	Al5 .26351 .41053 .25169 .971 .0012 .0004 .0048 0 0 0
	Mg5 .26351 .41053 .25169 .005 .0012 .0004 .0048 0 0 0
	Fe5 .26351 .41053 .25169 .024 .0012 .0004 .0048 0 0 0
	Al6 0 0 0 .53 .0015 .0004 .0051 0 .0009 0
	Mg6 0 0 0 .025 .0015 .0004 .0051 0 .0009 0
	Fe6 0 0 0 .04 .0015 .0004 .0051 0 .0009 0
	Al7 0 0 .5 .29 .0014 .0004 .0045 0 -.0013 0
	Mg7 0 0 .5 .015 .0014 .0004 .0045 0 -.0013 0
	Fe7 0 0 .5 .02 .0014 .0004 .0045 0 -.0013 0
	Fe8 .5 0 0 .055 .886
	Fe9 .5 0 .5 .02 1.01
	H1 .125 0 .05 .35 5.88
	H2 .125 0 .45 .4 3.72
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	Staurolite
	Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
	The Canadian Mineralogist 31 (1993) 551-582
	The crystal chemistry of staurolite. I. Crystal structure and site populations
	Sample Code: MAR/8
	Locality: Ticino River, Italy
	_database_code_amcsd 0005336
	7.8692 16.60719 5.6576 90 90.219 90 C2/m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	O1 .23339 0 .96277 .0031 .0003 .0067 0 .0009 0
	O2 .23640 0 .53212 .0034 .0004 .0068 0 -.0005 0
	O3 .25566 .16152 .01540 .0015 .0004 .0036 -.0002 .0003 0
	O4 .25422 .16122 .48370 .0016 .0004 .0037 .0002 -.0001 0
	O5 .00165 .08903 .24470 .0014 .0004 .008 0 .0001 -.0001
	O6 .02168 .24932 .24941 .0018 .0003 .0039 .0001 .0001 .0002
	O7 .52718 .09990 .24931 .0015 .0004 .004 0 0 -.0001
	Si1 .13410 .16613 .24826 .95 .001 .0003 .003 0 0 0
	Al1 .13410 .16613 .24826 .05 .001 .0003 .003 0 0 0
	Fe1 .39184 0 .24624 .62 .0049 .0004 .0132 0 -.0003 0
	Mg1 .39184 0 .24624 .11 .0049 .0004 .0132 0 -.0003 0
	Zn1 .39184 0 .24624 .135 .0049 .0004 .0132 0 -.0003 0
	Li1 .39184 0 .24624 .04 .0049 .0004 .0132 0 -.0003 0
	Al3 .5 .17498 0 .972 .0016 .0004 .0031 0 0 0
	Mg3 .5 .17498 0 .023 .0016 .0004 .0031 0 0 0
	Fe3 .5 .17498 0 .005 .0016 .0004 .0031 0 0 0
	Al4 .5 .17484 .5 .972 .0016 .0004 .0031 0 .0002 0
	Mg4 .5 .17484 .5 .023 .0016 .0004 .0031 0 .0002 0
	Fe4 .5 .17484 .5 .005 .0016 .0004 .0031 0 .0002 0
	Al5 .26323 .41049 .25193 .98 .0015 .0004 .0048 .0001 .0001 0
	Mg5 .26323 .41049 .25193 .007 .0015 .0004 .0048 .0001 .0001 0
	Fe5 .26323 .41049 .25193 .013 .0015 .0004 .0048 .0001 .0001 0
	Al6 0 0 0 .63 .0017 .0004 .005 0 .001 0
	Mg6 0 0 0 .03 .0017 .0004 .005 0 .001 0
	Al7 0 0 .5 .325 .0017 .0004 .0046 0 -.001 0
	Mg7 0 0 .5 .015 .0017 .0004 .0046 0 -.001 0
	Fe8 .5 0 0 .07 .974
	Fe9 .5 0 .5 .025 1.392
	H1 .125 0 .05 .4 .19
	H2 .125 0 .45 .35 .7
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	Staurolite
	Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
	The Canadian Mineralogist 31 (1993) 551-582
	The crystal chemistry of staurolite. I. Crystal structure and site populations
	Sample Code: MAR/21
	Locality: Ticino River, Italy
	_database_code_amcsd 0005337
	7.8630 16.6189 5.6581 90 90.286 90 C2/m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	O1 .23225 0 .96201 .0028 .0003 .0062 0 .001 0
	O2 .23727 0 .53239 .0037 .0004 .0065 0 -.0003 0
	O3 .25595 .16154 .01474 .0013 .0004 .0036 -.0002 .0002 -.0001
	O4 .25403 .16109 .48371 .0016 .0004 .0035 .0002 -.0003 0
	O5 .00171 .08882 .24190 .0013 .0004 .0075 0 -.0001 -.0001
	O6 .02130 .24915 .24190 .0018 .0003 .0037 .0001 -.0002 .0002
	O7 .52695 .10027 .24909 .0013 .0004 .0039 .0001 -.0002 -.0001
	Si1 .13415 .16600 .24742 .967 .001 .0002 .0028 0 -.0001 0
	Al1 .13415 .16600 .24742 .033 .001 .0002 .0028 0 -.0001 0
	Fe1 .39176 0 .24621 .683 .006 .0004 .0109 0 -.0006 0
	Mg1 .39176 0 .24621 .1 .006 .0004 .0109 0 -.0006 0
	Zn1 .39176 0 .24621 .01 .006 .0004 .0109 0 -.0006 0
	Li1 .39176 0 .24621 .053 .006 .0004 .0109 0 -.0006 0
	Al2 .39176 0 .24621 .095 .006 .0004 .0109 0 -.0006 0
	Al3 .5 .17533 0 .955 .0016 .0004 .0032 0 -.0001 0
	Mg3 .5 .17533 0 .021 .0016 .0004 .0032 0 -.0001 0
	Fe2 .5 .17533 0 .024 .0016 .0004 .0032 0 -.0001 0
	Al4 .5 .17507 .5 .955 .0017 .0004 .003 0 0 0
	Mg4 .5 .17507 .5 .021 .0017 .0004 .003 0 0 0
	Fe3 .5 .17507 .5 .024 .0017 .0004 .003 0 0 0
	Al5 .26323 .41069 .25292 .961 .0015 .0004 .0049 0 -.0001 0
	Mg5 .26323 .41069 .25292 .006 .0015 .0004 .0049 0 -.0001 0
	Fe4 .26323 .41069 .25292 .033 .0015 .0004 .0049 0 -.0001 0
	Al6 0 0 0 .67 .0017 .0003 .0047 0 .001 0
	Mg6 0 0 0 .03 .0017 .0003 .0047 0 .001 0
	Fe5 0 0 0 .015 .0017 .0003 .0047 0 .001 0
	Al7 0 0 .5 .25 .001 .0004 .0047 0 -.0019 0
	Mg7 0 0 .5 .01 .001 .0004 .0047 0 -.0019 0
	Fe6 0 0 .5 .005 .001 .0004 .0047 0 -.0019 0
	Fe7 .5 0 0 .06 .732
	Fe8 .5 0 .5 .01 .558
	H1 .125 0 .45 .75 3.36
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	Staurolite
	Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
	The Canadian Mineralogist 31 (1993) 551-582
	The crystal chemistry of staurolite. I. Crystal structure and site populations
	Sample Code: 85DM66b
	Locality: Dora Maira, Italy
	_database_code_amcsd 0005338
	7.8706 16.5411 5.6323 90 90.007 90 C2/m
	atom x y z occ Biso
	O1 .23339 0 .96277 .742
	O2 .23640 0 .53212 .618
	O3 .25566 .16152 .01540 .347
	O4 .25422 .16122 .48370 .336
	O5 .00165 .08903 .24470 .544
	O6 .02168 .24932 .24941 .367
	O7 .52718 .09990 .24931 .366
	Si1 .13410 .16613 .24826 .995 .282
	Al1 .13410 .16613 .24826 .005 .282
	Mg1 .39184 0 .24624 .55 1.222
	Zn1 .39184 0 .24624 .005 1.222
	Li1 .39184 0 .24624 .235 1.222
	Al3 .5 .17498 0 .972 .368
	Mg3 .5 .17498 0 .018 .368
	Fe3 .5 .17498 0 .01 .368
	Al4 .5 .17484 .5 .972 .413
	Mg4 .5 .17484 .5 .018 .413
	Fe4 .5 .17484 .5 .01 .413
	Al5 .26323 .41049 .25193 .98 .467
	Mg5 .26323 .41049 .25193 .006 .467
	Fe5 .26323 .41049 .25193 .014 .467
	Al6 0 0 0 .495 .398
	Mg6 0 0 0 .005 .398
	Al7 0 0 .5 .495 .497
	Mg7 0 0 .5 .005 .497
	Fe8 .5 0 0 .26 .555
	Fe9 .5 0 .5 .26 .757
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	Staurolite
	Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
	The Canadian Mineralogist 31 (1993) 551-582
	The crystal chemistry of staurolite. I. Crystal structure and site populations
	Sample Code: BARR888
	Locality: Barrhorn, Switzerland
	_database_code_amcsd 0005339
	7.8533 16.5344 5.6387 90 90.000 90 C2/m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	O1 .23392 0 .96709 .003 .0005 .0074 0 .0015 0
	O2 .23431 0 .53205 .003 .0005 .0071 0 0 0
	O3 .25505 .16164 .01549 .0021 .0006 .0046 -.0002 .0006 0
	O4 .25514 .16167 .48460 .0022 .0006 .0051 .0001 .0004 0
	O5 .00178 .08902 .24928 .0017 .0006 .0097 0 .0005 -.0002
	O6 .02145 .24994 .25009 .0018 .0005 .0049 0 .0006 .0002
	O7 .52691 .09880 .25027 .0017 .0006 .005 0 .0007 0
	Si1 .13403 .16646 .24996 .996 .0015 .0005 .0044 0 .0004 0
	Al1 .13403 .16646 .24996 .004 .0015 .0005 .0044 0 .0004 0
	Mg1 .38912 0 .24954 .047 .0033 .0005 .0136 0 .0004 0
	Zn1 .38912 0 .24954 .613 .0033 .0005 .0136 0 .0004 0
	Li1 .38912 0 .24954 .128 .0033 .0005 .0136 0 .0004 0
	Al2 .38912 0 .24954 .043 .0033 .0005 .0136 0 .0004 0
	Al3 .5 .17363 0 .994 .001 .0004 .0026 0 .0004 0
	Fe3 .5 .17363 0 .006 .001 .0004 .0026 0 .0004 0
	Al4 .5 .17368 .5 .994 .0012 .0005 .0033 0 .0004 0
	Fe4 .5 .17368 .5 .006 .0012 .0005 .0033 0 .0004 0
	Al5 .26330 .41038 .25012 .986 .0018 .0004 .0042 0 .0005 0
	Fe5 .26330 .41038 .25012 .014 .0018 .0004 .0042 0 .0005 0
	Al6 0 0 0 .463 .001 .0005 .0049 0 .0013 0
	Al7 0 0 .5 .463 .0008 .0004 .0033 0 -.0001 0
	Fe8 .5 0 0 .048 1.111
	Fe9 .5 0 .5 .048 1.015
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	Staurolite
	Caucia F, Callegari A, Oberti R, Ungaretti L, Hawthorne F C
	The Canadian Mineralogist 32 (1994) 477-489
	Structural aspects of oxidation-dehydrogenation in staurolite
	Sample: T = 25 C
	_database_code_amcsd 0005371
	7.864 16.619 5.659 90 90.17 90 C2/m
	atom x y z occ Biso
	SiT1 .13413 .16602 .24851 .95 .29
	AlT1 .13413 .16602 .24851 .05 .29
	FeT2 .39198 0 .24777 .69 1.17
	ZnT2 .39198 0 .24777 .01 1.17
	MgT2 .39198 0 .24777 .10 1.17
	AlT2 .39198 0 .24777 .13 1.17
	AlM1A .5 .17527 0 .97 .36
	MgM1A .5 .17527 0 .02 .36
	FeM1A .5 .17527 0 .01 .36
	AlM1B .5 .17510 .5 .97 .36
	MgM1B .5 .17510 .5 .02 .36
	FeM1B .5 .17510 .5 .01 .36
	AlM2 .26336 .41067 .25170 .97 .47
	MgM2 .26336 .41067 .25170 .01 .47
	FeM2 .26336 .41067 .25170 .02 .47
	AlM3A 0 0 0 .82 .43
	MgM3A 0 0 0 .04 .43
	FeM3A 0 0 0 .06 .43
	AlM3B 0 0 .5 .82 .42
	MgM3B 0 0 .5 .04 .42
	FeM3B 0 0 .5 .06 .42
	FeM4A .5 0 0 .04 .75
	FeM4B .5 0 .5 .04 .80
	O1A .23340 0 .96302 .5 .67
	OH1A .23340 0 .96302 .5 .67
	O1B .23618 0 .53372 .5 .72
	OH1B .23618 0 .53372 .5 .72
	O2A .25552 .16153 .01537 .41
	O2B .25437 .16126 .48387 .43
	O3 .00177 .08894 .24523 .63
	O4 .02154 .24918 .24963 .42
	O5 .52700 .10039 .24952 .40
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	Staurolite
	Caucia F, Callegari A, Oberti R, Ungaretti L, Hawthorne F C
	The Canadian Mineralogist 32 (1994) 477-489
	Structural aspects of oxidation-dehydrogenation in staurolite
	Sample: T = 500 C, 5 h heating
	_database_code_amcsd 0005372
	7.866 16.621 5.658 90 90.15 90 C2/m
	atom x y z occ Biso
	SiT1 .13412 .16610 .24881 .95 .31
	AlT1 .13412 .16610 .24881 .05 .31
	FeT2 .39153 0 .24839 .64 1.15
	AlT2 .39153 0 .24839 .14 1.15
	MgT2 .39153 0 .24839 .09 1.15
	ZnT2 .39153 0 .24839 .01 1.15
	AlT3 .13363 0 .25193 .03 .39
	FeT3 .13363 0 .25193 .01 .39
	AlM1A .5 .17520 0 .97 .35
	MgM1A .5 .17520 0 .02 .35
	FeM1A .5 .17520 0 .01 .35
	AlM1B .5 .17507 .5 .97 .39
	MgM1B .5 .17507 .5 .02 .39
	FeM1B .5 .17507 .5 .01 .39
	FeM2 .26338 .41702 .25133 .04 .49
	AlM2 .26338 .41702 .25133 .96 .49
	AlM3A 0 0 0 .77 .50
	MgM3A 0 0 0 .04 .50
	FeM3A 0 0 0 .06 .50
	AlM3B 0 0 .5 .77 .43
	MgM3B 0 0 .5 .04 .43
	FeM3B 0 0 .5 .06 .43
	FeM4A .5 0 0 .04 .85
	MgM4A .5 0 0 .01 .85
	FeM4B .5 0 .5 .04 .88
	MgM4B .5 0 .5 .01 .88
	O1A .23396 0 .96357 .5 .68
	O1B .23602 0 .53370 .5 .73
	O2A .25536 .16157 .01501 .5 .43
	O2B .25440 .16130 .48344 .5 .46
	O3 .00187 .08916 .24666 .66
	O4 .02169 .24925 .24970 .42
	O5 .52714 .10039 .24964 .41
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	Staurolite
	Caucia F, Callegari A, Oberti R, Ungaretti L, Hawthorne F C
	The Canadian Mineralogist 32 (1994) 477-489
	Structural aspects of oxidation-dehydrogenation in staurolite
	Sample: T = 500 C, 5+5 h heating
	_database_code_amcsd 0005373
	7.866 16.621 5.658 90 90.15 90 C2/m
	atom x y z occ Biso
	SiT1 .13412 .16611 .24884 .95 .31
	AlT1 .13412 .16611 .24884 .05 .31
	FeT2 .39154 0 .24821 .59 1.16
	AlT2 .39154 0 .24821 .15 1.16
	MgT2 .39154 0 .24821 .09 1.16
	ZnT2 .39154 0 .24821 .01 1.16
	FeT3 .13932 0 .24292 .03 .42
	AlT3 .13932 0 .24292 .07 .42
	AlM1A .5 .17508 0 .97 .40
	MgM1A .5 .17508 0 .01 .40
	FeM1A .5 .17508 0 .02 .40
	AlM1B .5 .17510 .5 .97 .42
	MgM1B .5 .17510 .5 .01 .42
	FeM1B .5 .17510 .5 .02 .42
	AlM2 .26336 .41071 .25142 .95 .51
	FeM2 .26336 .41071 .25142 .05 .51
	AlM3A 0 0 0 .73 .45
	MgM3A 0 0 0 .04 .45
	FeM3A 0 0 0 .06 .45
	AlM3B 0 0 .5 .73 .43
	MgM3B 0 0 .5 .04 .43
	FeM3B 0 0 .5 .06 .43
	FeM4A .5 0 0 .05 .85
	MgM4A .5 0 0 .02 .85
	FeM4B .5 0 .5 .05 1.01
	MgM4B .5 0 .5 .02 1.01
	O1A .23391 0 .96353 .5 .67
	O1B .23608 0 .53377 .5 .75
	O2A .25544 .16161 .01526 .5 .43
	O2B .25444 .16136 .48402 .5 .45
	O3 .00146 .08897 .24630 .65
	O4 .02161 .24933 .24954 .43
	O5 .52706 .10021 .24957 .42
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	Staurolite
	Caucia F, Callegari A, Oberti R, Ungaretti L, Hawthorne F C
	The Canadian Mineralogist 32 (1994) 477-489
	Structural aspects of oxidation-dehydrogenation in staurolite
	Sample: T = 600 C
	_database_code_amcsd 0005374
	7.865 16.612 5.648 90 90.04 90 C2/m
	atom x y z occ Biso
	SiT1 .13432 .16631 .24962 .95 .32
	AlT1 .13432 .16631 .24962 .05 .32
	FeT2 .38949 0 .24965 .55 1.15
	AlT2 .38949 0 .24965 .15 1.15
	MgT2 .38949 0 .24965 .09 1.15
	ZnT2 .38949 0 .24965 .01 1.15
	FeT3 .12856 0 .25020 .04 .39
	AlT3 .12856 0 .25020 .10 .39
	AlM1A .5 .17480 0 .97 .39
	MgM1A .5 .17480 0 .01 .39
	FeM1A .5 .17480 0 .02 .39
	AlM1B .5 .17481 .5 .97 .39
	MgM1B .5 .17481 .5 .01 .39
	FeM1B .5 .17481 .5 .02 .39
	AlM2 .26355 .41100 .25035 .94 .53
	FeM2 .26355 .41100 .25035 .06 .53
	AlM3A 0 0 0 .68 .45
	MgM3A 0 0 0 .04 .45
	FeM3A 0 0 0 .06 .45
	AlM3B 0 0 .5 .68 .44
	MgM3B 0 0 .5 .04 .44
	FeM3B 0 0 .5 .06 .44
	FeM4A .5 0 0 .05 1.00
	MgM4A .5 0 0 .04 1.00
	FeM4B .5 0 .5 .05 1.04
	MgM4B .5 0 .5 .04 1.04
	O1A .23536 0 .96507 .5 .74
	O1B .23581 0 .53402 .5 .77
	O2A .25517 .16153 .01533 .5 .44
	O2B .25482 .16153 .48456 .5 .44
	O3 .00196 .08917 .24895 .64
	O4 .02150 .24930 .24974 .43
	O5 .52677 .09984 .24991 .43
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	Staurolite
	Caucia F, Callegari A, Oberti R, Ungaretti L, Hawthorne F C
	The Canadian Mineralogist 32 (1994) 477-489
	Structural aspects of oxidation-dehydrogenation in staurolite
	Sample: T = 700 C
	_database_code_amcsd 0005375
	7.867 16.619 5.625 90 90.00 90 C2/m
	atom x y z occ Biso
	SiT1 .13470 .16720 .25002 .95 .38
	AlT1 .13470 .16720 .25002 .05 .38
	FeT2 .38248 0 .25001 .5 .83
	AlT2 .38248 0 .25001 .16 .83
	MgT2 .38248 0 .25001 .08 .83
	ZnT2 .38248 0 .25001 .01 .83
	FeT3 .12508 0 .24989 .06 .44
	AlT3 .12508 0 .24989 .11 .44
	AlM1A .5 .17407 0 .97 .40
	MgM1A .5 .17407 0 .01 .40
	FeM1A .5 .17407 0 .02 .40
	AlM1B .5 .17407 .5 .97 .41
	MgM1B .5 .17407 .5 .01 .41
	FeM1B .5 .17407 .5 .02 .41
	AlM2 .26365 .41202 .25 .94 .54
	FeM2 .26365 .41202 .25 .06 .54
	AlM3A 0 0 0 .63 .48
	MgM3A 0 0 0 .04 .48
	FeM3A 0 0 0 .06 .48
	AlM3B 0 0 .5 .63 .49
	MgM3B 0 0 .5 .04 .49
	FeM3B 0 0 .5 .06 .49
	FeM4A .5 0 0 .05 .85
	MgM4A .5 0 0 .05 .85
	FeM4B .5 0 .5 .05 .86
	MgM4B .5 0 .5 .05 .86
	O1A .23706 0 .96789 .5 .84
	OH1A .23706 0 .96789 .5 .84
	O1B .23697 0 .53201 .5 .84
	OH1B .23697 0 .53201 .5 .84
	O2A .25556 .16179 .01475 .46
	O2B .25553 .16181 .48524 .46
	O3 .00258 .09003 .25 .69
	O4 .02143 .24994 .25002 .45
	O5 .52524 .09861 .24996 .47
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	Staurolite
	Caucia F, Callegari A, Oberti R, Ungaretti L, Hawthorne F C
	The Canadian Mineralogist 32 (1994) 477-489
	Structural aspects of oxidation-dehydrogenation in staurolite
	Sample: T = 800 C
	_database_code_amcsd 0005376
	7.861 16.638 5.604 90 90.00 90 C2/m
	atom x y z occ Biso
	SiT1 .13490 .16813 .25002 .95 .41
	AlT1 .13490 .16813 .25002 .05 .41
	FeT2 .38002 0 .25001 .45 .53
	AlT2 .38002 0 .25001 .17 .53
	MgT2 .38002 0 .25001 .08 .53
	ZnT2 .38002 0 .25001 .01 .53
	FeT3 .12597 0 .25006 .07 .47
	AlT3 .12597 0 .25006 .16 .47
	AlM1A .5 .17342 0 .97 .42
	FeM1A .5 .17342 0 .03 .42
	AlM1B .5 .17340 .5 .97 .42
	FeM1B .5 .17340 .5 .03 .42
	AlM2 .26418 .41266 .24997 .93 .57
	FeM2 .26418 .41266 .24997 .07 .57
	AlM3A 0 0 0 .59 .46
	MgM3A 0 0 0 .04 .46
	FeM3A 0 0 0 .06 .46
	AlM3B 0 0 .5 .59 .48
	MgM3B 0 0 .5 .04 .48
	FeM3B 0 0 .5 .06 .48
	FeM4A .5 0 0 .06 .86
	MgM4A .5 0 0 .06 .86
	FeM4B .5 0 .5 .06 .89
	MgM4B .5 0 .5 .06 .89
	O1A .23846 0 .97078 .5 .85
	OH1A .23846 0 .97078 .5 .85
	O1B .23845 0 .52943 .5 .84
	OH1B .23845 0 .52943 .5 .84
	O2A .25579 .16199 .01422 .48
	O2B .25582 .16198 .48579 .48
	O3 .00355 .09087 .25010 .70
	O4 .02109 .25054 .25005 .46
	O5 .52420 .09770 .25 .51
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	Staurolite
	Caucia F, Callegari A, Oberti R, Ungaretti L, Hawthorne F C
	The Canadian Mineralogist 32 (1994) 477-489
	Structural aspects of oxidation-dehydrogenation in staurolite
	Sample: T = 900 C
	_database_code_amcsd 0005377
	7.860 16.645 5.606 90 90.00 90 C2/m
	atom x y z occ Biso
	SiT1 .13490 .16817 .24998 .95 .42
	AlT1 .13490 .16817 .24998 .05 .42
	FeT2 .38022 0 .25007 .40 .59
	ZnT2 .38022 0 .25007 .01 .59
	MgT2 .38022 0 .25007 .08 .59
	AlT2 .38022 0 .25007 .18 .59
	FeT3 .12589 0 .25012 .09 .50
	AlT3 .12589 0 .25012 .20 .50
	AlM1A .5 .17339 0 .97 .42
	FeM1A .5 .17339 0 .03 .42
	AlM1B .5 .17338 .5 .97 .42
	FeM1B .5 .17338 .5 .03 .42
	AlM2 .26421 .41261 .24999 .92 .57
	FeM2 .26421 .41261 .24999 .08 .57
	AlM3A 0 0 0 .54 .48
	MgM3A 0 0 0 .04 .48
	FeM3A 0 0 0 .06 .48
	AlM3B 0 0 .5 .54 .48
	MgM3B 0 0 .5 .04 .48
	FeM3B 0 0 .5 .06 .48
	FeM4A .5 0 0 .06 .88
	MgM4A .5 0 0 .07 .88
	FeM4B .5 0 .5 .06 .91
	MgM4B .5 0 .5 .07 .91
	O1A .23849 0 .97081 .5 .89
	OH1A .23849 0 .97081 .5 .89
	O1B .23862 0 .52906 .5 .87
	OH1B .23862 0 .52906 .5 .87
	O2A .25573 .16200 .01427 .48
	O2B .25572 .16198 .48573 .48
	O3 .00353 .09094 .24983 .71
	O4 .02112 .25059 .25013 .46
	O5 .52428 .09755 .25002 .52
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	Staurolite
	Caucia F, Callegari A, Oberti R, Ungaretti L, Hawthorne F C
	The Canadian Mineralogist 32 (1994) 477-489
	Structural aspects of oxidation-dehydrogenation in staurolite
	Sample: T = 950 C
	_database_code_amcsd 0005378
	7.860 16.645 5.606 90 90.00 90 C2/m
	atom x y z occ Biso
	SiT1 .13489 .16811 .25 .95 .37
	AlT1 .13489 .16811 .25 .05 .37
	FeT2 .38015 0 .25002 .36 .56
	AlT2 .38015 0 .25002 .19 .56
	MgT2 .38015 0 .25002 .07 .56
	ZnT2 .38015 0 .25002 .01 .56
	FeT3 .12589 0 .25010 .10 .46
	AlT3 .12589 0 .25010 .23 .46
	AlM1A .5 .17345 0 .97 .38
	FeM1A .5 .17345 0 .03 .38
	AlM1B .5 .17345 .5 .97 .42
	FeM1B .5 .17345 .5 .03 .42
	AlM2 .26424 .41259 .24997 .91 .53
	FeM2 .26424 .41259 .24997 .09 .53
	AlM3A 0 0 0 .49 .41
	MgM3A 0 0 0 .04 .41
	FeM3A 0 0 0 .06 .41
	AlM3B 0 0 .5 .49 .42
	MgM3B 0 0 .5 .04 .42
	FeM3B 0 0 .5 .06 .42
	FeM4A .5 0 0 .07 .95
	MgM4A .5 0 0 .08 .95
	FeM4B .5 0 .5 .07 .90
	MgM4B .5 0 .5 .08 .90
	O1A .23863 0 .97069 .5 .84
	OH1A .23863 0 .97069 .5 .84
	O1B .23863 0 .52918 .5 .84
	OH1B .23863 0 .52918 .5 .84
	O2A .25582 .16199 .01430 .44
	O2B .25591 .16204 .48559 .44
	O3 .00352 .09093 .24994 .67
	O4 .02114 .25056 .24988 .42
	O5 .52433 .09780 .24995 .47
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	Staurolite
	Hawthorne F C, Oberti R, Ungaretti L, Caucia F, Callegari A
	The Canadian Mineralogist 32 (1994) 491-495
	Crystal-structure refinement of hydrogen-rich staurolite
	Sample: S(43)
	_database_code_amcsd 0005379
	7.863 16.596 5.650 90 90.04 90 C2/m
	atom x y z occ Biso
	SiT1 .13413 .16612 .24965 .96 .31
	AlT1 .13413 .16612 .24965 .04 .31
	FeT2 .39394 0 .24922 .64 1.21
	MgT2 .39394 0 .24922 .01 1.21
	LiT2 .39394 0 .24922 .13 1.21
	AlT2 .39394 0 .24922 .03 1.21
	AlM1a .5 .17460 0 .98 .38
	FeM1a .5 .17460 0 .02 .38
	AlM1b .5 .17452 .5 .98 .38
	FeM1b .5 .17452 .5 .02 .38
	AlM2 .26335 .41038 .25024 .98 .48
	FeM2 .26335 .41038 .25024 .02 .48
	AlM3a 0 0 0 .48 .43
	AlM3b 0 0 .5 .48 .43
	FeM4a .5 0 0 .05 .76
	FeM4b .5 0 .5 .05 .83
	O1a .23371 0 .96473 .5 .66
	OH1a .23371 0 .96473 .5 .66
	O1b .23452 0 .53382 .5 .65
	OH1b .23452 0 .53382 .5 .65
	O2a .25522 .16147 .01526 .44
	O2b .25495 .16142 .48432 .43
	O3 .00194 .08881 .24865 .62
	O4 .02107 .24935 .24987 .42
	O5 .52740 .10026 .24975 .39
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	Staurolite
	Hawthorne F C, Oberti R, Ungaretti L, Caucia F, Callegari A
	The Canadian Mineralogist 32 (1994) 491-495
	Crystal-structure refinement of hydrogen-rich staurolite
	Sample: S(44)
	_database_code_amcsd 0005380
	7.861 16.610 5.649 90 90.18 90 C2/m
	atom x y z occ Biso
	SiT1 .13421 .16628 .24856 .96 .30
	AlT1 .13421 .16628 .24856 .04 .30
	FeT2 .39548 0 .24864 .65 1.08
	MgT2 .39548 0 .24864 .05 1.08
	LiT2 .39548 0 .24864 .07 1.08
	AlM1a .5 .17497 0 .98 .36
	MgM1a .5 .17497 0 .02 .36
	AlM1b .5 .17433 .5 .98 .36
	MgM1b .5 .17433 .5 .02 .36
	AlM2 .26448 .41009 .25166 .99 .43
	FeM2 .26448 .41009 .25166 .01 .43
	AlM3a 0 0 0 .46 .42
	MgM3a 0 0 0 .01 .42
	AlM3b 0 0 .5 .46 .43
	MgM3b 0 0 .5 .01 .43
	FeM4a .5 0 0 .10 .69
	FeM4b .5 0 .5 .10 .69
	O1a .23274 0 .96383 .5 .61
	OH1a .23274 0 .96383 .5 .61
	O1b .23511 0 .53346 .5 .65
	OH1b .23511 0 .53346 .5 .65
	O2a .25550 .16183 .01473 .42
	O2b .25483 .16142 .48408 .42
	O3 .00222 .08912 .24540 .63
	O4 .02126 .24948 .25018 .40
	O5 .52773 .10014 .24911 .40
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	Hornblende
	Oberti R, Hawthorne F C, Ungaretti L, Cannillo E
	The Canadian Mineralogist 33 (1995) 867-878
	[6]Al disorder in amphiboles from mantle peridotites
	Sample: F1
	_database_code_amcsd 0005447
	9.873 18.011 5.299 90 105.17 90 C2/m
	atom x y z occ Biso
	SiT1 .2806 .0853 .3022 .779 .38
	AlT1 .2806 .0853 .3022 .221 .38
	SiT2 .2909 .1728 .8124 .779 .44
	AlT2 .2909 .1728 .8124 .221 .44
	MgM1 0 .0892 .5 .78 .50
	FeM1 0 .0892 .5 .22 .50
	TiM2 0 .1768 0 .06 .47
	CrM2 0 .1768 0 .04 .47
	AlM2 0 .1768 0 .22 .47
	FeM2 0 .1768 0 .14 .47
	MgM2 0 .1768 0 .54 .47
	AlM3 0 0 0 .11 .49
	MgM3 0 0 0 .65 .49
	FeM3 0 0 0 .24 .49
	FeM4 0 .2799 .5 .03 .67
	MgM4 0 .2799 .5 .01 .67
	CaM4 0 .2799 .5 .46 .67
	FeM4' 0 .2566 .5 .03 .50
	MgM4' 0 .2566 .5 .01 .50
	CaM4' 0 .2566 .5 .46 .50
	NaA 0 .5 0 .148 5.28
	KA 0 .5 0 .007 5.28
	NaA(m) .0359 .5 .0904 .149 3.97
	KA(m) .0359 .5 .0904 .008 3.97
	NaA(2) 0 .4682 0 .149 1.40
	KA(2) 0 .4682 0 .008 1.40
	H .1908 0 .7618 1.18
	O1 .1070 .0881 .2154 .78
	O2 .1196 .1738 .7327 .63
	Oh3 .1085 0 .7159 .80
	O4 .3680 .2498 .7882 .86
	O5 .3499 .1404 .1122 .86
	O6 .3435 .1162 .6094 .97
	O7 .3395 0 .2744 1.08
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	Hornblende
	Oberti R, Hawthorne F C, Ungaretti L, Cannillo E
	The Canadian Mineralogist 33 (1995) 867-878
	[6]Al disorder in amphiboles from mantle peridotites
	Sample: F3
	_database_code_amcsd 0005448
	9.867 17.998 5.285 90 105.19 90 C2/m
	atom x y z occ Biso
	SiT1 .2805 .0854 .3024 .771 .42
	AlT1 .2805 .0854 .3024 .229 .42
	SiT2 .2911 .1731 .8134 .771 .46
	AlT2 .2911 .1731 .8134 .229 .46
	MgM1 0 .0894 .5 .84 .49
	FeM1 0 .0894 .5 .16 .49
	TiM2 0 .1764 0 .02 .47
	AlM2 0 .1764 0 .27 .47
	FeM2 0 .1764 0 .19 .47
	MgM2 0 .1764 0 .52 .47
	AlM3 0 0 0 .14 .47
	MgM3 0 0 0 .67 .47
	FeM3 0 0 0 .19 .47
	FeM4 0 .2801 .5 .03 .69
	MgM4 0 .2801 .5 .01 .69
	CaM4 0 .2801 .5 .46 .69
	FeM4' 0 .2585 .5 .04 .66
	MgM4' 0 .2585 .5 .01 .66
	CaM4' 0 .2585 .5 .45 .66
	NaA 0 .5 0 .154 4.92
	KA 0 .5 0 .001 4.92
	NaA(m) .0336 .5 .0843 .155 5.33
	KA(m) .0336 .5 .0843 .001 5.33
	NaA(2) 0 .4675 0 .155 1.79
	KA(2) 0 .4675 0 .001 1.79
	H .1850 0 .7650 2.00
	O1 .1065 .0883 .2152 .79
	O2 .1199 .1741 .7341 .67
	Oh3 .1086 0 .7163 .84
	O4 .3682 .2501 .7882 .88
	O5 .3503 .1408 .1130 .86
	O6 .3436 .1162 .6109 .99
	O7 .3400 0 .2731 1.07
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	Hornblende
	Oberti R, Hawthorne F C, Ungaretti L, Cannillo E
	The Canadian Mineralogist 33 (1995) 867-878
	[6]Al disorder in amphiboles from mantle peridotites
	Sample: F4
	_database_code_amcsd 0005449
	9.860 17.984 5.290 90 105.26 90 C2/m
	atom x y z occ Biso
	SiT1 .2807 .0852 .3022 .821 .42
	AlT1 .2807 .0852 .3022 .179 .42
	SiT2 .2905 .1729 .8122 .821 .46
	AlT2 .2905 .1729 .8122 .179 .46
	MgM1 0 .0889 .5 .91 .50
	FeM1 0 .0889 .5 .09 .50
	TiM2 0 .1762 0 .02 .47
	CrM2 0 .1762 0 .02 .47
	AlM2 0 .1762 0 .23 .47
	FeM2 0 .1762 0 .12 .47
	MgM2 0 .1762 0 .61 .47
	AlM3 0 0 0 .25 .46
	MgM3 0 0 0 .66 .46
	FeM3 0 0 0 .09 .46
	FeM4 0 .2798 .5 .02 .67
	CaM4 0 .2798 .5 .47 .67
	NaM4 0 .2798 .5 .01 .67
	FeM4' 0 .2571 .5 .02 .69
	CaM4' 0 .2571 .5 .47 .69
	NaM4' 0 .2571 .5 .01 .69
	NaA 0 .5 0 .110 4.91
	KA 0 .5 0 .068 4.91
	NaA(m) .0291 .5 .0727 .109 4.80
	KA(m) .0291 .5 .0727 .067 4.80
	NaA(2) 0 .4675 0 .109 1.66
	KA(2) 0 .4675 0 .067 1.66
	H .1974 0 .7676 4.31
	O1 .1073 .0875 .2162 .77
	O2 .1195 .1732 .7321 .64
	Oh3 .1084 0 .7173 .77
	O4 .3671 .2500 .7884 .85
	O5 .3496 .1403 .1121 .86
	O6 .3437 .1163 .6090 .96
	O7 .3394 0 .2753 1.11
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	Hornblende
	Oberti R, Hawthorne F C, Ungaretti L, Cannillo E
	The Canadian Mineralogist 33 (1995) 867-878
	[6]Al disorder in amphiboles from mantle peridotites
	Sample: F5
	_database_code_amcsd 0005450
	9.828 17.917 5.290 90 105.16 90 C2/m
	atom x y z occ Biso
	SiT1 .2807 .0855 .3023 .775 .35
	AlT1 .2807 .0855 .3023 .225 .35
	SiT2 .2915 .1733 .8136 .775 .43
	AlT2 .2915 .1733 .8136 .225 .43
	MgM1 0 .0895 .5 .87 .47
	FeM1 0 .0895 .5 .13 .47
	AlM2 0 .1765 0 .36 .45
	FeM2 0 .1765 0 .11 .45
	MgM2 0 .1765 0 .53 .45
	AlM3 0 0 0 .14 .46
	MgM3 0 0 0 .71 .46
	FeM3 0 0 0 .15 .46
	FeM4 0 .2794 .5 .05 .74
	MgM4 0 .2794 .5 .01 .74
	CaM4 0 .2794 .5 .44 .74
	FeM4' 0 .2527 .5 .05 .49
	MgM4' 0 .2527 .5 .01 .49
	CaM4' 0 .2527 .5 .44 .49
	NaA 0 .5 0 .152 5.12
	KA 0 .5 0 .004 5.12
	NaA(m) .0200 .5 .0611 .152 3.12
	KA(m) .0200 .5 .0611 .005 3.12
	NaA(2) 0 .4690 0 .152 1.61
	KA(2) 0 .4690 0 .005 1.61
	H .1902 0 .7667 1.46
	O1 .1060 .0886 .2140 .82
	O2 .1198 .1741 .7356 .64
	Oh3 .1085 0 .7164 .76
	O4 .3688 .2504 .7878 .91
	O5 .3506 .1412 .1134 .83
	O6 .3432 .1161 .6109 1.00
	O7 .3393 0 .2720 1.08
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