Aenigmatite
	Cannillo E, Mazzi F, Fang J H, Robinson P D, Ohya Y
	American Mineralogist 56 (1971) 427-446
	The crystal structure of aenigmatite
	sample CM
	_database_code_amcsd 0000224
	10.406 10.813 8.926 104.93 96.87 125.32 P-1
	atom x y z Biso
	Fe1 0 0 .5 .89
	Fe2 0 .5 0 .85
	Fe3 .3193 .8513 .1779 .91
	Fe4 .7670 .8203 .1517 .68
	Fe5 .0952 .9382 .0522 .98
	Fe6 .5962 .9435 .0662 .82
	Ti1 .9970 .7428 .2565 .62
	Na1 .2092 .6289 .3893 1.33
	Na2 .6627 .6127 .3733 1.42
	Si1 .4798 .2333 .3311 .82
	Si2 .9879 .2363 .3456 .68
	Si3 .7925 .3435 .2424 .84
	Si4 .2782 .3364 .2257 .86
	Si5 .6478 .9448 .4450 .76
	Si6 .3525 .5573 .0501 .78
	O1 .3600 .0684 .1630 1.02
	O2 .8640 .0688 .1800 1.41
	O3 .5488 .9535 .2957 1.20
	O4 .0087 .9233 .2648 1.19
	O5 .2364 .8751 .3951 1.19
	O6 .7523 .8821 .3912 1.10
	O7 .4967 .1947 .4965 1.00
	O8 .9603 .7756 .4843 .98
	O9 .9069 .3300 .3717 1.44
	O10 .4091 .3408 .3539 .75
	O11 .6710 .1773 .0749 1.44
	O12 .1565 .1694 .0646 1.02
	O13 .5197 .7094 .0365 1.04
	O14 .0671 .7334 .0776 .78
	O15 .2453 .6098 .1152 1.51
	O16 .7572 .6022 .1230 1.39
	O17 .4040 .4995 .1882 1.01
	O18 .9370 .5164 .2269 1.15
	O19 .1708 .3661 .3271 .91
	O20 .6749 .3640 .3422 .93
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	Aenigmatite
	Cannillo E, Mazzi F, Fang J H, Robinson P D, Ohya Y
	American Mineralogist 56 (1971) 427-446
	The crystal structure of aenigmatite
	sample FRO
	_database_code_amcsd 0000225
	10.406 10.813 8.926 104.93 96.87 125.32 P-1
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Fe1 0 0 .5 .89 .0018 .0029 .0040 .0013 .0013 .0017
	Ti1 0 0 .5 .11 .0018 .0029 .0040 .0013 .0013 .0017
	Fe2 0 .5 0 .87 .0017 .0024 .0044 .0011 .0017 .0018
	Ti2 0 .5 0 .13 .0017 .0024 .0044 .0011 .0017 .0018
	Fe3 .3214 .8528 .1779 .95 .0024 .0030 .0047 .0013 .0013 .0017
	Ti3 .3214 .8528 .1779 .05 .0024 .0030 .0047 .0013 .0013 .0017
	Fe4 .7655 .8199 .1511 .76 .0029 .0032 .0047 .0017 .0018 .0020
	Ti4 .7655 .8199 .1511 .24 .0029 .0032 .0047 .0017 .0018 .0020
	Fe5 .0961 .9392 .0530 .90 .0035 .0034 .0053 .0019 .0021 .0028
	Ti5 .0961 .9392 .0530 .10 .0035 .0034 .0053 .0019 .0021 .0028
	Fe6 .5959 .9432 .0661 .0030 .0034 .0044 .0017 .0019 .0022
	Ti7 .9970 .7434 .2577 .59 .0022 .0024 .0038 .0012 .0018 .0018
	Fe7 .9970 .7434 .2577 .41 .0022 .0024 .0038 .0012 .0018 .0018
	Na1 .2089 .6298 .3893 .0022 .0025 .0036 .0022 .0017 .0014
	Na2 .6607 .6117 .3741 .0015 .0033 .0060 .0007 .0012 .0024
	Si1 .4768 .2345 .3313 .0010 .0011 .0021 .0003 .0008 .0007
	Si2 .9864 .2363 .3466 .0008 .0007 .0031 .0004 .0011 .0011
	Si3 .7921 .3435 .2416 .90 .0011 .0010 .0023 .0004 .0008 .0010
	Fe3 .7921 .3435 .2416 .10 .0011 .0010 .0023 .0004 .0008 .0010
	Si4 .2772 .3382 .2252 .95 .0017 .0018 .0031 .0008 .0009 .0012
	Fe4 .2772 .3382 .2252 .05 .0017 .0018 .0031 .0008 .0009 .0012
	Si5 .6487 .9448 .4447 .94 .0019 .0024 .0024 .0016 .0015 .0015
	Fe5 .6487 .9448 .4447 .06 .0019 .0024 .0024 .0016 .0015 .0015
	Si6 .3528 .5588 .0501 .95 .0023 .0014 .0032 .0013 .0019 .0015
	Fe6 .3528 .5588 .0501 .05 .0023 .0014 .0032 .0013 .0019 .0015
	O1 .3542 .0641 .1621 .64
	O2 .8611 .0666 .1807 .43
	O3 .5540 .9534 .2958 .75
	O4 .0151 .9258 .2670 .83
	O5 .2353 .8747 .3933 .65
	O6 .7541 .8843 .3902 .63
	O7 .4929 .1948 .4973 .75
	O8 .9575 .7755 .4871 .58
	O9 .8996 .3230 .3735 .76
	O10 .4034 .3364 .3529 .93
	O11 .6653 .1744 .0709 .57
	O12 .1570 .1688 .0612 .57
	O13 .5233 .7108 .0393 .56
	O14 .0673 .7340 .0757 .37
	O15 .2417 .6060 .1120 .89
	O16 .7510 .6018 .1275 .64
	O17 .4002 .5015 .1883 .52
	O18 .9363 .5147 .2264 1.09
	O19 .1648 .3649 .3183 .62
	O20 .6731 .3626 .3366 .99
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	Leucite
	Mazzi F, Galli E, Gottardi G
	American Mineralogist 61 (1976) 108-115
	The crystal structure of tetragonal leucite
	_database_code_amcsd 0000496
	13.090 13.090 13.750 90 90 90 *I4_1/a
	0 .25 .125
	atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	K .3660 .3645 .1147 .0039 .0046 .0090 -.0006 .0000 -.0015
	Al1 .0579 .3964 .1666 .32 .0015 .0010 .0013 -.0001 -.0001 -.0002
	Al2 .1676 .6115 .1283 .32 .0012 .0014 .0011 -.0002 -.0001 .0003
	Al3 .3924 .6418 .0860 .32 .0013 .0016 .0012 .0001 .0000 -.0002
	Si1 .0579 .3964 .1666 .68 .0015 .0010 .0013 -.0001 -.0001 -.0002
	Si2 .1676 .6115 .1283 .68 .0012 .0014 .0011 -.0002 -.0001 .0003
	Si3 .3924 .6418 .0860 .68 .0013 .0016 .0012 .0001 .0000 -.0002
	O1 .1318 .3131 .1100 .0042 .0025 .0033 .0000 .0006 -.0007
	O2 .0921 .5107 .1303 .0039 .0024 .0036 -.0012 .0001 .0002
	O3 .1453 .6798 .2275 .0033 .0030 .0016 -.0006 .0000 -.0001
	O4 .1333 .6841 .0354 .0029 .0033 .0018 .0015 .0005 .0007
	O5 .2900 .5772 .1205 .0023 .0025 .0035 .0007 -.0005 .0002
	O6 .4826 .6174 .1667 .0027 .0026 .0026 -.0007 .0000 .0005
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	Harkerite
	Giuseppetti G, Mazzi F, Tadini C
	American Mineralogist 62 (1977) 263-272
	The crystal structure of harkerite
	_database_code_amcsd 0000564
	18.131 18.131 18.131 33.46 33.46 33.46 R-3m
	atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Mg1 .5 0 0 .0018 .0025 .0025 -.0006 -.0006 -.0019
	Mg2 0 .5 .5 .0017 .0022 .0022 -.0009 -.0009 -.0010
	Mg3 .2486 .2486 .2486 .0023 .0023 .0023 -.0012 -.0012 -.0012
	Ca1 .1936 .1936 .6723 .0028 .0028 .0047 -.0010 -.0018 -.0018
	Ca2 .3168 .3168 -.1982 .0044 .0044 .0076 -.0017 -.0028 -.0028
	Ca3 .5592 .5592 .0725 .0055 .0055 .0075 -.0016 -.0034 -.0034
	Ca4 -.0659 -.0659 .4498 .0032 .0032 .0061 -.0013 -.0023 -.0023
	B1 .3176 .3176 -.0323 .0021 .0021 .0036 -.0008 -.0014 -.0014
	B2 .3548 .3548 .3548 .0028 .0028 .0028 -.0013 -.0013 -.0013
	Si1 .1361 .1361 .6039 .0046 .0046 .0054 -.0014 -.0026 -.0026
	Si2 .1293 .1293 .1293 .0041 .0041 .0041 -.0018 -.0018 -.0018
	C1 .2748 .2748 -.2917 .0057 .0057 .0070 -.0002 -.0041 -.0041
	C2 0 0 0 .0071 .0071 .0071 -.0030 -.0030 -.0030
	C3 .4895 .4895 .4895 .5 .0029 .0029 .0029 -.0012 -.0012 -.0012
	Al .0639 .0639 .0639 .0043 .0043 .0043 -.0020 -.0020 -.0020
	O1 .0768 .5679 -.2099 .0108 .0076 .0033 -.0064 -.0023 -.0015
	O2 .4107 -.0436 .7077 .0074 .0062 .0042 -.0028 -.0033 -.0020
	O3 .3181 .3180 .0394 .0059 .0059 .0049 -.0018 -.0029 -.0029
	O4 .1694 .1694 .4653 .0091 .0091 .0035 -.0066 -.0020 -.0020
	O5 .4300 .4300 .2054 .0059 .0059 .0046 -.0022 -.0027 -.0027
	O6 .0575 .0575 .3024 .0120 .0120 .0032 -.0101 -.0015 -.0015
	OH .4543 .4543 .4543 .5 .0135 .0135 .0135 -.0063 -.0063 -.0063
	Cl .4543 .4543 .4543 .5 .0135 .0135 .0135 -.0063 -.0063 -.0063
	O7 -.0390 -.0390 .2383 .0126 .0126 .0078 -.0105 -.0020 -.0020
	O8 .0975 .0975 .0975 .0155 .0155 .0155 -.0076 -.0076 -.0076
	O9 .1708 .3776 -.2558 .0097 .0113 .0141 -.0043 -.0002 -.0102
	O10 .2779 .2779 -.3660 .0224 .0224 .0109 -.0159 -.0058 -.0058
	O11 -.1208 .1208 0 .5 .0106 .0106 .0131 .0062 -.0092 -.0092
	O12 .5606 .5606 .3462 .5 .0066 .0066 .0044 -.0045 -.0013 -.0013
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	Analcime
	Mazzi F, Galli E
	American Mineralogist 63 (1978) 448-460
	Is each analcime different?
	ANA 1
	_database_code_amcsd 0000654
	13.723 13.723 13.686 90 90 90 *I4_1/acd
	0 -.25 .125
	atom x y z occ Biso
	Al1 .1264 .1617 .4118 .47 .76
	Si1 .1264 .1617 .4118 .53 .76
	Si2 .1631 .4131 .125 .77
	Na1 .1246 0 .25 .82 2.80
	Na2 0 .25 .125 .23 2.84
	O1 .1050 .3705 .2186 2.40
	O2 .2218 .1028 .3633 1.86
	O3 .3631 .2182 .1051 1.84
	Wat .1195 .1305 .125 6.03
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	Analcime
	Mazzi F, Galli E
	American Mineralogist 63 (1978) 448-460
	Is each analcime different?
	ANA 2
	_database_code_amcsd 0000655
	13.727 13.727 13.686 90 90 90 *I4_1/acd
	0 -.25 .125
	atom x y z occ Biso
	Al1 .1264 .1618 .4117 .42 1.05
	Si1 .1264 .1618 .4117 .58 1.05
	Si2 .1632 .4132 .125 .98
	Na1 .1242 0 .25 .84 2.76
	Na2 0 .25 .125 .17 2.88
	O1 .1055 .3712 .2191 2.64
	O2 .2211 .1027 .3638 2.18
	O3 .3634 .2190 .1056 2.22
	Wat .1194 .1306 .125 6.29
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	Analcime
	Mazzi F, Galli E
	American Mineralogist 63 (1978) 448-460
	Is each analcime different?
	ANA 3
	_database_code_amcsd 0000656
	13.729 13.729 13.709 90 90 90 *I4_1/acd
	0 -.25 .125
	atom x y z occ Biso
	Al1 .1258 .1624 .4123 .40 .78
	Si1 .1258 .1624 .4123 .60 .78
	Si2 .1625 .4125 .125 .80
	Na1 .1242 0 .25 .79 3.04
	Na2 0 .25 .125 .48 2.29
	O1 .1050 .3680 .2190 2.14
	O2 .2206 .1040 .3642 2.13
	O3 .3649 .2188 .1043 2.06
	Wat .1233 .1267 .125 6.01
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	Analcime
	Mazzi F, Galli E
	American Mineralogist 63 (1978) 448-460
	Is each analcime different?
	ANA 4
	_database_code_amcsd 0000657
	13.733 13.729 13.712 90 90 90 Ibca
	atom x y z occ Biso
	Al11 .1256 .1624 .4122 .44 .87
	Si11 .1256 .1624 .4122 .56 .87
	Al12 .4124 .1243 .1623 .38 .87
	Si12 .4124 .1243 .1623 .62 .87
	Si2 .1625 .4123 .1252 .88
	Na11 .1247 0 .25 .77 2.87
	Na12 .25 .1252 0 .74 2.91
	Na2 0 .25 .125 .52 2.55
	O11 .1048 .3676 .2189 2.23
	O12 .3824 .1452 .4686 2.23
	O21 .2207 .1040 .3641 2.18
	O22 .1458 .4704 .3851 2.23
	O31 .3650 .2189 .1043 2.17
	O32 .4691 .3853 .1459 2.14
	Wat .1236 .1268 .1252 6.02
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	Analcime
	Mazzi F, Galli E
	American Mineralogist 63 (1978) 448-460
	Is each analcime different?
	ANA 5
	_database_code_amcsd 0000658
	13.728 13.728 13.722 90 90 90 *I4_1/acd
	0 -.25 .125
	atom x y z occ Biso
	Al1 .1251 .1623 .4122 .35 .88
	Si1 .1251 .1623 .4122 .65 .88
	Si2 .1624 .4124 .125 .70 .83
	Al2 .1624 .4124 .125 .30 .83
	Na1 .1248 0 .25 .73 3.14
	Na2 0 .25 .125 .58 2.80
	O1 .1044 .3665 .2194 2.30
	O2 .2196 .1041 .3649 2.34
	O3 .3654 .2194 .1043 2.23
	Wat .1238 .1262 .125 6.59
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	Analcime
	Mazzi F, Galli E
	American Mineralogist 63 (1978) 448-460
	Is each analcime different?
	ANA 6
	_database_code_amcsd 0000659
	13.721 13.721 13.735 90 90 90 *I4_1/acd
	0 -.25 .125
	atom x y z occ Biso
	Si1 .1244 .1624 .4124 .73 .83
	Al1 .1244 .1624 .4124 .27 .83
	Si2 .1623 .4123 .125 .55 .82
	Al2 .1623 .4123 .125 .45 .82
	Na1 .1252 0 .25 .61 2.57
	Na2 0 .25 .125 .77 2.87
	O1 .1038 .3640 .2200 2.32
	O2 .2185 .1046 .3666 2.33
	O3 .3663 .2202 .1048 2.36
	Wat .1256 .1244 .125 6.53
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	Analcime
	Mazzi F, Galli E
	American Mineralogist 63 (1978) 448-460
	Is each analcime different?
	ANA 7
	_database_code_amcsd 0000660
	13.727 13.714 13.740 90 90 90 Ibca
	atom x y z occ Biso
	Si11 .1240 .1621 .4125 .70 .89
	Al11 .1240 .1621 .4125 .30 .89
	Si12 .4124 .1254 .1626 .81 .87
	Al12 .4124 .1254 .1626 .19 .87
	Si2 .1622 .4123 .1254 .50 .87
	Al2 .1622 .4123 .1254 .50 .87
	Na11 .1257 0 .25 .69 2.92
	Na12 .25 .1248 0 .52 2.52
	Na2 0 .25 .1246 .80 2.88
	O11 .1039 .3632 .2206 2.14
	O12 .3861 .1459 .4698 2.14
	O21 .2181 .1046 .3658 2.17
	O22 .1450 .4682 .3825 2.20
	O31 .3676 .2197 .1047 2.27
	O32 .4704 .3845 .1459 2.22
	Wat .1271 .1239 .1238 6.03
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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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	Wairakite
	Takeuchi Y, Mazzi F, Haga N, Galli E
	American Mineralogist 64 (1979) 993-1001
	The crystal structure of wairakite
	_database_code_amcsd 0000740
	13.692 13.643 13.560 90 90.5 90 I2/a
	atom x y z occ Biso
	Na11 .1318 .9997 .2561 .042 3.70
	Na12a .25 .1203 0 .034 2.20
	Na12b .75 .3763 0 .041 3.90
	Ca2 .0115 .2474 .1160 .899 1.79
	Na2 .0115 .2474 .1160 .059 1.79
	Si11a .1122 .1580 .4175 .93 0.48
	Al11a .1122 .1580 .4175 .07 0.48
	Si11b .8714 .3381 .4056 .95 0.54
	Al11b .8714 .3381 .4056 .05 0.54
	Si12a .4221 .1310 .1599 .95 0.52
	Al12a .4221 .1310 .1599 .05 0.52
	Si12b .5971 .3728 .1682 .95 0.61
	Al12b .5971 .3728 .1682 .05 0.61
	Si2a .1753 .4112 .1370 .16 0.54
	Al2a .1753 .4112 .1370 .84 0.54
	Si2b .8474 .0856 .1176 .16 0.53
	Al2b .8474 .0856 .1176 .84 0.53
	O11a .1099 .3484 .2274 1.25
	O11b .9095 .1464 .2139 1.20
	O12a .3834 .1376 .4660 1.16
	O12b .5983 .3501 .4791 1.02
	O21a .2029 .1165 .3575 1.54
	O21b .7763 .3999 .3796 1.45
	O22a .1282 .4626 .3863 1.41
	O22b .8355 .0357 .3548 1.34
	O31a .3976 .2243 .0891 1.53
	O31b .6444 .2780 .1144 1.55
	O32a .4868 .3896 .1280 1.65
	O32b .5405 .1218 .1639 1.46
	Wat1 .1344 .1264 .1348 5.04
	Watb .8858 .3703 .1169 4.12
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	Taramellite
	Mazzi F, Rossi G
	American Mineralogist 65 (1980) 123-128
	The crystal structure of taramellite
	Locality: Candoglia, Italy
	_database_code_amcsd 0000772
	12.150 13.946 7.129 90 90 90 *Pmmn
	-.25 -.25 0
	atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Ba1 .75 .25 .2394 0.0014 0.0011 0.0078 0 0 0
	Ba2 .25 .25 .4659 0.0026 0.0008 0.0129 0 0 0
	Ba3 .25 .4749 .0070 0.0014 0.0012 0.0035 0 0 -.0003
	Fe .6295 .5020 .4765 .75 0.0015 0.0009 0.0031 0.0000 -.0003 -.0002
	Ti .6295 .5020 .4765 .25 0.0015 0.0009 0.0031 0.0000 -.0003 -.0002
	Si1 .4894 .3662 .2048 0.0009 0.0006 0.0029 0.0000 0.0000 0.0000
	Si2 .4736 .6441 .2073 0.0008 0.0007 0.0017 -.0001 0.0000 -.0001
	B .25 .6593 .2773 0.0018 0.0000 0.0041 0 0 -.0002
	O1 .5062 .25 .2212 0.0027 0.0002 0.0035 0 -.0014 0
	O2 .5207 .75 .2684 0.0017 0.0005 0.0044 0 -.0008 0
	O3 .25 .5767 .4088 0.0029 0.0003 0.0010 0 0 0
	O4 .75 .5715 .3623 0.0052 0.0000 0.0033 0 0 -.0001
	O5 .5388 .6092 .0167 0.0015 0.0014 0.0030 0.0000 0.0003 -.0002
	O6 .3798 .4001 .3135 0.0018 0.0011 0.0028 0.0005 -.0001 -.0009
	O7 .6073 .4110 .2617 0.0012 0.0009 0.0047 -.0004 -.0004 -.0002
	O8 .3456 .6482 .1479 0.0009 0.0014 0.0028 0.0006 0.0009 -.0008
	O9 .4946 .5722 .3763 0.0017 0.0012 0.0044 0.0003 -.0004 0.0003
	O10 .25 .75 .3803 0.0016 0.0013 0.0000 0 0 0
	Cl .25 .25 -.0088 .89 0.0036 0.0020 0.0149 0 0 0
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	Titantaramellite
	Mazzi F, Rossi G
	American Mineralogist 65 (1980) 123-128
	The crystal structure of taramellite
	Locality: Rush Creek, Fresno County, California, USA
	_database_code_amcsd 0000773
	12.220 13.952 7.128 90 90 90 *Pmmn
	-.25 -.25 0
	atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Ba1 .75 .25 .2362 0.0012 0.0011 0.0141 0 0 0
	Ba2 .25 .75 .4671 0.0022 0.0007 0.0108 0 0 0
	Ba3 .25 .4716 .0078 0.0013 0.0011 0.0039 0 0 -.0002
	Ti .6285 .5026 .4758 .75 0.0014 0.0010 0.0035 0.0001 -.0002 -.0003
	Fe .6285 .5026 .4758 .25 0.0014 0.0010 0.0035 0.0001 -.0002 -.0003
	Si1 .4896 .3659 .2062 0.0008 0.0005 0.0024 0.0000 0.0000 -.0002
	Si2 .4736 .6441 .2051 0.0010 0.0005 0.0025 0.0000 0.0001 0.0001
	B .25 .6585 .2787 0.0004 0.0000 0.0013 0 0 0
	O1 .5087 .25 .2217 0.0029 0.0005 0.0064 0 -.0013 0
	O2 .5191 .75 .2656 0.0020 0.0004 0.0047 0 -.0005 0
	O3 .25 .5754 .4094 0.0028 0.0008 0.0049 0 0 0.0006
	O4 .75 .5711 .3609 0.0078 0.0010 0.0045 0 0 -.0005
	O5 .5383 .6090 .0162 0.0013 0.0012 0.0028 0.0003 0.0002 0.0001
	O6 .3810 .3994 .3149 0.0012 0.0012 0.0033 0.0001 0.0004 -.0006
	O7 .6066 .4118 .2628 0.0013 0.0011 0.0046 0.0000 -.0003 -.0006
	O8 .3453 .6477 .1458 0.0007 0.0012 0.0053 0.0000 0.0003 -.0006
	O9 .4938 .5718 .3741 0.0025 0.0009 0.0027 -.0002 0.0002 0.0006
	O10 .25 .75 .3780 0.0020 0.0014 0.0022 0 0 0
	Cl .25 .25 -.0049 .95 0.0023 0.0011 0.0033 0 0 0
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	Calciobetafite
	Mazzi F, Munno R
	American Mineralogist 68 (1983) 262-276
	Calciobetafite (new mineral of the pyrochlore group) and related minerals from
	Campi Flegrei, Italy; crystal structures of polymignyte and zirkelite:
	comparison with pyrochlore and zirconolite
	_database_code_amcsd 0000891
	10.2978 10.2978 10.2978 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Ca 0 0 0 .685 .00181 .00181 .00181 -.00013 -.00013 -.00013
	Na 0 0 0 .076 .00181 .00181 .00181 -.00013 -.00013 -.00013
	Th 0 0 0 .039 .00181 .00181 .00181 -.00013 -.00013 -.00013
	U 0 0 0 .039 .00181 .00181 .00181 -.00013 -.00013 -.00013
	Ce 0 0 0 .161 .00181 .00181 .00181 -.00013 -.00013 -.00013
	Ti .5 .5 .5 .535 .00222 .00222 .00222 -.00058 -.00058 -.00058
	Nb .5 .5 .5 .446 .00222 .00222 .00222 -.00058 -.00058 -.00058
	Ta .5 .5 .5 .019 .00222 .00222 .00222 -.00058 -.00058 -.00058
	O1 -.1771 .125 .125 .00256 .00179 .00179 0 0 .00093
	O2 .125 .125 .125 .5 .00416 .00416 .00416 0 0 0
	F .125 .125 .125 .5 .00416 .00416 .00416 0 0 0
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	Zirconolite
	Mazzi F, Munno R
	American Mineralogist 68 (1983) 262-276
	Calciobetafite (new mineral of the pyrochlore group) and related minerals from
	Campi Flegrei, Italy; crystal structures of polymignyte and zirkelite:
	comparison with pyrochlore and zirconolite
	Note: polytype zirconolite-3O
	Locality: Campi Flegrei, Italy
	_database_code_amcsd 0000892
	10.148 14.147 7.278 90 90 90 Acam
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Ca1 .75 .11594 .25 .529 0.0014 0.0009 0.0029 0 0.0002 0
	Na1 .75 .11594 .25 .045 0.0014 0.0009 0.0029 0 0.0002 0
	Th1 .75 .11594 .25 .017 0.0014 0.0009 0.0029 0 0.0002 0
	Ce1 .75 .11594 .25 .409 0.0014 0.0009 0.0029 0 0.0002 0
	Zr1 .01505 .23319 .5 0.0013 0.0005 0.0033 -.0001 0 0
	Ti1 0 0 0 .517 0.0015 0.0009 0.0049 -.0001 0 0
	Nb1 0 0 0 .469 0.0015 0.0009 0.0049 -.0001 0 0
	Ta1 0 0 0 .014 0.0015 0.0009 0.0049 -.0001 0 0
	Ti2 .25 .13323 .25 .878 0.0013 0.0008 0.0026 0 0.0002 0
	Nb2 .25 .13323 .25 .119 0.0013 0.0008 0.0026 0 0.0002 0
	Ta2 .25 .13323 .25 .003 0.0013 0.0008 0.0026 0 0.0002 0
	Fe1 0 0 .4306 .462 0.0051 0.0016 0.0120 0.0021 0 0
	Fe2 .039 .015 .5 .029 0.3
	O1 .1259 .0333 .1903 0.0016 0.0011 0.0063 0.0002 -.0011 -.0001
	O2 .1197 .2331 .2104 0.0017 0.0009 0.0064 0.0005 -.0004 0.0003
	O3 -.1007 .1089 .5 0.0021 0.0008 0.0066 -.0002 0 0
	O4 -.0904 .1295 0 0.0025 0.0009 0.0039 -.0002 0 0
	O5 .1799 .1396 .5 0.0024 0.0016 0.0027 0.0006 0 0
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	Zirkelite
	Mazzi F, Munno R
	American Mineralogist 68 (1983) 262-276
	Calciobetafite (new mineral of the pyrochlore group) and related minerals from
	Campi Flegrei, Italy; crystal structures of polymignyte and zirkelite:
	comparison with pyrochlore and zirconolite
	Note: B(2,3) for Ti61 has been changed to satisfy symmetry constraints
	_database_code_amcsd 0000893
	7.287 7.287 16.886 90 90 120 P3_121
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Ca81 .8324 0 1/3 .590 0.0038 0.0030 0.0017 0.0015 -.0003 -.0006
	Na81 .8324 0 1/3 .060 0.0038 0.0030 0.0017 0.0015 -.0003 -.0006
	Th81 .8324 0 1/3 .015 0.0038 0.0030 0.0017 0.0015 -.0003 -.0006
	Ce81 .8324 0 1/3 .345 0.0038 0.0030 0.0017 0.0015 -.0003 -.0006
	Ca82 .3295 0 1/3 .25 0.0016 0.0064 0.0016 0.0032 0.0002 0.0004
	Na82 .3295 0 1/3 .25 0.0016 0.0064 0.0016 0.0032 0.0002 0.0004
	Th82 .3295 0 1/3 .25 0.0016 0.0064 0.0016 0.0032 0.0002 0.0004
	Ce82 .3295 0 1/3 .25 0.0016 0.0064 0.0016 0.0032 0.0002 0.0004
	Zr7 .1653 .6676 .0166 0.0035 0.0042 0.0010 0.0020 -.0006 -.0004
	Ti61 .333 0 5/6 .780 0.0076 0.0086 0.0006 0.0043 -.0011 -.0022
	Nb61 .333 0 5/6 .214 0.0076 0.0086 0.0006 0.0043 -.0011 -.0022
	Ta61 .333 0 5/6 .006 0.0076 0.0086 0.0006 0.0043 -.0011 -.0022
	Ti62 .497 .334 .1640 .690 0.0048 0.0045 0.0005 0.0021 0.0009 0.0003
	Nb62 .497 .334 .1640 .155 0.0048 0.0045 0.0005 0.0021 0.0009 0.0003
	Ta62 .497 .334 .1640 .155 0.0048 0.0045 0.0005 0.0021 0.0009 0.0003
	Fe5 .044 .894 .169 .5 0.0267 0.0334 0.0001 0.0179 -.0016 -.0017
	O1 .595 .634 .1428 1.0
	O2 .010 .820 .0579 0.7
	O3 .527 .314 .0488 1.5
	O4 .202 .227 .1442 1.4
	O5 .532 .890 .0536 1.2
	O6 .947 .312 .0540 0.7
	O7 .207 .616 .1425 1.2
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	Andremeyerite
	Cannillo E, Mazzi F, Rossi G
	American Mineralogist 73 (1988) 608-612
	Crystal structure of andremeyerite, BaFe(Fe,Mn,Mg)Si2O7
	_database_code_amcsd 0001164
	7.488 13.785 7.085 90 118.23 90 P2_1/c
	atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Ba .4893 .1434 .2940 .0061 .0011 .0067 -.0002 .0031 -.0002
	Fe1 -.0024 .2439 .3058 .0033 .0010 .0056 .0001 .0014 .0000
	Fe2 -.0380 .5016 .2115 .92 .0040 .0010 .0065 -.0002 .0019 -.0003
	Mg2 -.0380 .5016 .2115 .08 .0040 .0010 .0065 -.0002 .0019 -.0003
	SiA .2765 .3908 .2023 .0030 .0010 .0052 .0002 .0012 .0003
	SiB .7241 .3833 .3877 .0032 .0008 .0046 .0001 .0016 .0002
	O1A .2262 .5001 .1055 .0049 .0013 .0056 .0004 .0006 .0007
	O1B .7251 .4833 .2737 .0072 .0014 .0132 .0007 .0058 .0013
	O2A .2573 .3118 .0249 .0037 .0019 .0074 -.0006 .0012 -.0022
	O2B .7270 .2903 .2481 .0049 .0013 .0143 -.0003 .0046 -.0017
	O3A .1229 .3714 .3016 .0063 .0010 .0136 -.0002 .0064 .0006
	O3B .9090 .3763 .6290 .0049 .0013 .0091 -.0005 .0010 .0002
	O4 .5104 .3784 .4021 .0044 .0014 .0017 -.0003 .0007 .0000
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	Paakkonenite
	Bonazzi P, Borrini D, Mazzi F, Olmi F
	American Mineralogist 80 (1995) 1054-1058
	Crystal structure and twinning of Sb2AsS2, the synthetic analogue of
	paakkonenite
	_database_code_amcsd 0001758
	10.75 3.959 12.49 90 115.25 90 C2/m
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Sb1 -.0452 .0 .1755 .033 .015 .030 0 .017 0
	Sb2 .3119 .5 .3979 .027 .027 .058 0 .022 0
	As -.1058 .5 .0156 .025 .015 .011 0 .005 0
	S1 .2114 .0 .2376 .030 .020 .005 0 .010 0
	S2 .0937 .5 .4084 .031 .020 .057 0 .029 0
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	Bottinoite
	Bonazzi P, Mazzi F
	American Mineralogist 81 (1996) 1494-1500
	Bottinoite, Ni(H2O)6[Sb(OH)6]2: Crystal structure, twinning and hydrogen-bond
	model
	Sample: BS2, synthetic
	Note: U(1,2) for Sb1 and Sb3 changed to match symmetry constraints.
	_database_code_amcsd 0001841
	16.060 16.060 9.792 90 90 120 P3
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Sb1 0 0 0 .017 .017 .003 .0085 0 0
	Sb2 2/3 1/3 -.0883 .010 .010 .006 .005 0 0
	Sb3 1/3 2/3 -.0021 .005 .005 .042 .0025 0 0
	Sb4 0 0 .4974 .014 .014 .002 .007 0 0
	Sb5 2/3 1/3 .4185 .010 .010 .018 .005 0 0
	Sb6 1/3 2/3 .4987 .008 .008 .018 .004 0 0
	Sb7 .3283 -.0066 .4704 .008 .009 .018 .003 .001 .003
	Sb8 .6678 .0055 .4496 .014 .014 .002 .008 -.001 0
	Ni1 .3379 .0080 -.0311 .010 .005 .031 .004 .000 -.003
	Ni2 .6639 -.0065 -.0505 .013 .020 .001 .009 -.001 -.004
	O1 .032 .117 -.120 .028 .005 .058 .010 -.007 .005
	O2 .114 .081 .112 .021 .046 .001 .003 -.004 .004
	O3 .579 .221 -.200 .018 .012 .042 -.005 -.015 -.013
	O4 .697 .254 .027 .015 .023 .006 .011 -.008 -.002
	O5 .302 .554 .119 .017 .019 .007 .010 -.004 -.002
	O6 .364 .783 -.109 .025 .011 .022 .017 -.001 -.001
	O7 .315 .097 -.159 .043 .021 .030 .028 -.009 .000
	O8 .426 .116 .093 .027 .029 .004 .018 -.002 -.005
	O9 .454 .036 -.147 .012 .011 .050 .006 .009 -.014
	O10 .363 -.085 .088 .020 .020 .015 .009 -.005 .003
	O11 .253 -.107 -.156 .031 .007 .015 .014 -.011 -.008
	O12 .215 -.028 .091 .031 .039 .021 .027 -.024 -.016
	O13 .582 .027 .070 .022 .057 .006 .021 .011 .008
	O14 .693 .111 -.160 .013 .013 .015 .006 .003 .014
	O15 .781 .081 .070 .026 .027 .012 .005 .000 .018
	O16 .754 -.032 -.178 .015 .054 .048 .026 .009 .034
	O17 .633 -.126 .067 .013 .040 .007 .000 .003 .003
	O18 .553 -.091 -.172 .003 .027 .045 -.004 -.009 -.009
	O19 .064 .112 .366 .029 .010 .031 .009 .002 .006
	O20 .115 .042 .611 .018 .018 .019 .005 .007 .007
	O21 .550 .269 .535 .005 .007 .004 .001 .000 .004
	O22 .623 .220 .302 .025 .030 .013 .024 -.009 -.012
	O23 .263 .550 .615 .022 .006 .007 .008 .005 .001
	O24 .395 .778 .377 .017 .014 .022 -.004 -.002 .006
	O25 .260 .039 .344 .031 .033 .018 .030 -.011 -.002
	O26 .378 .113 .578 .012 .016 .006 .010 .001 -.002
	O27 .447 .060 .347 .005 .029 .017 .009 .006 -.003
	O28 .400 -.050 .585 .007 .020 .009 .006 -.005 .005
	O29 .281 -.123 .346 .020 .006 .017 .011 .000 -.003
	O30 .211 -.074 .581 .012 .009 .017 .002 .005 .007
	O31 .618 .074 .567 .003 .016 .007 -.005 -.004 .005
	O32 .732 .116 .326 .018 .029 .018 .013 -.005 -.004
	O33 .779 .055 .562 .031 .014 .004 .009 -.005 .003
	O34 .707 -.067 .330 .022 .036 .034 .023 -.013 -.009
	O35 .607 -.108 .567 .004 .019 .007 .004 .004 -.002
	O36 .551 -.040 .337 .010 .016 .024 .004 -.006 .007
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	Bottinoite
	Bonazzi P, Mazzi F
	American Mineralogist 81 (1996) 1494-1500
	Bottinoite, Ni(H2O)6[Sb(OH)6]2: Crystal structure, twinning and hydrogen-bond
	model
	Sample: BN1, natural
	Locality: Bottino mine, Apuan Alps, Italy
	Note: U(1,2) for Sb5 and Sb6 changed to match symmetry constraints.
	_database_code_amcsd 0001842
	16.045 16.045 9.784 90 90 120 P3
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Sb1 0 0 0 .016 .016 .005 .008 0 0
	Sb2 2/3 1/3 -.0888 .008 .008 .002 .004 0 0
	Sb3 1/3 2/3 .0002 .004 .004 .065 .002 0 0
	Sb4 0 0 .4943 .012 .012 .011 .006 0 0
	Sb5 2/3 1/3 .4193 .015 .015 .011 .0075 0 0
	Sb6 1/3 2/3 .5037 .003 .003 .019 .0015 0 0
	Sb7 .3273 -.0066 .4706 .012 .007 .020 .003 .003 .002
	Sb8 .6679 .0052 .4501 .014 .005 .003 .000 .002 .001
	Ni1 .3372 .0100 -.0368 .009 .007 .036 .002 .004 -.001
	Ni2 .6605 -.0066 -.0524 .020 .036 .002 .016 .006 .002
	O1 .033 .118 -.118 .036 .003 .041 .009 -.015 -.006
	O2 .114 .084 .109 .040 .037 .006 .019 .008 -.004
	O3 .581 .221 -.202 .016 .010 .036 -.007 -.013 -.007
	O4 .701 .257 .023 .019 .015 .007 .006 .000 .000
	O5 .302 .554 .118 .019 .016 .007 .006 .005 .003
	O6 .360 .779 -.111 .025 .012 .021 .017 -.001 -.001
	O7 .316 .099 -.158 .106 .029 .032 .054 .039 .015
	O8 .425 .114 .099 .046 .024 .007 .024 .000 -.004
	O9 .452 .034 -.152 .024 .008 .040 .005 .023 .009
	O10 .365 -.085 .083 .015 .015 .033 .001 -.013 .003
	O11 .254 -.108 -.160 .008 .004 .054 -.003 -.010 -.002
	O12 .216 -.025 .088 .011 .023 .039 .010 -.006 -.013
	O13 .580 .023 .068 .022 .057 .009 .021 .011 .008
	O14 .697 .110 -.165 .009 .014 .019 .004 -.005 .004
	O15 .778 .080 .067 .016 .029 .016 .005 .010 .019
	O16 .755 -.026 -.175 .015 .054 .048 .026 .009 .034
	O17 .631 -.128 .006 .012 .026 .010 .008 -.002 -.002
	O18 .551 -.092 -.169 .018 .036 .012 .008 -.008 -.002
	O19 .057 .109 .368 .025 .007 .037 .008 .011 .009
	O20 .116 .041 .610 .020 .020 .020 .012 .014 -.002
	O21 .550 .264 .537 .007 .007 .006 .000 .001 .004
	O22 .620 .221 .299 .023 .027 .009 .018 -.008 -.015
	O23 .261 .550 .613 .016 .007 .012 .005 .001 -.006
	O24 .393 .779 .379 .016 .024 .044 .018 .001 .008
	O25 .260 .038 .343 .026 .020 .018 .018 -.008 .006
	O26 .375 .119 .575 .010 .014 .007 .007 .003 -.004
	O27 .446 .058 .341 .008 .029 .017 .009 .006 -.003
	O28 .399 -.052 .582 .014 .013 .011 .013 -.005 -.007
	O29 .280 -.123 .348 .023 .008 .024 .004 .005 .003
	O30 .214 -.070 .582 .009 .008 .021 .000 .006 .005
	O31 .619 .072 .568 .009 .020 .008 .009 -.001 .008
	O32 .736 .117 .326 .026 .031 .019 .011 -.008 .005
	O33 .783 .057 .557 .031 .014 .007 .009 -.005 .003
	O34 .710 -.062 .323 .018 .013 .007 .028 .001 -.002
	O35 .608 -.106 .563 .017 .013 .007 .003 .001 .002
	O36 .550 -.042 .333 .013 .016 .015 .003 .001 .001
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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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	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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	Co(H2O)6[Sb(OH)6]2
	Friedrich A, Mazzi F, Wildner M, Tillmanns E
	American Mineralogist 88 (2003) 462-463
	Isotypism of Co(H2O)6[Sb(OH)6]2 with brandholzite and bottinoite
	_database_code_amcsd 0002989
	16.105 16.105 9.851 90 90 120 P3
	atom x y z Uiso
	Sb1 0 0 .00000 .0116
	Sb2 2/3 1/3 -.08368 .0118
	Sb3 1/3 2/3 .00850 .0107
	Co1 .33709 .00798 -.02739 .0165
	Co2 .66237 -.00787 -.04322 .0146
	O1 .0334 .1138 -.1125 .0196
	O2 .1128 .0839 .1116 .0175
	O3 .5832 .2211 -.1977 .0205
	O4 .6958 .2494 .0281 .0189
	O5 .3035 .5522 .1212 .0183
	O6 .3628 .7803 -.1033 .0168
	O7 .3102 .0962 -.1573 .0254
	O8 .4274 .1173 .0960 .0280
	O9 .4550 .0350 -.1517 .0210
	O10 .3635 -.0851 .0897 .0206
	O11 .2520 -.1087 -.1564 .0222
	O12 .2193 -.0246 .0901 .0234
	O13 .5753 .0216 .0777 .0219
	O14 .6943 .1132 -.1603 .0180
	O15 .7804 .0789 .0733 .0195
	O16 .7536 -.0295 -.1743 .0195
	O17 .6322 -.1277 .0702 .0248
	O18 .5493 -.0966 -.1702 .0291
	Sb4 0 0 .49683 .0119
	Sb5 2/3 1/3 .42075 .0106
	Sb6 1/3 2/3 .50470 .0104
	Sb7 .32782 -.00676 .47200 .0125
	Sb8 .66765 .00622 .45316 .0100
	O19 .0652 .1141 .3752 .0160
	O20 .1143 .0415 .6112 .0175
	O21 .5517 .2670 .5407 .0163
	O22 .6211 .2188 .3058 .0175
	O23 .2644 .5521 .6184 .0172
	O24 .3950 .7812 .3836 .0147
	O25 .2615 .0418 .3510 .0176
	O26 .3742 .1114 .5790 .0171
	O27 .4433 .0572 .3536 .0162
	O28 .3973 -.0504 .5889 .0174
	O29 .2801 -.1234 .3559 .0165
	O30 .2123 -.0727 .5852 .0166
	O31 .6204 .0738 .5708 .0180
	O32 .7339 .1189 .3301 .0168
	O33 .7833 .0590 .5660 .0170
	O34 .7091 -.0653 .3355 .0161
	O35 .6075 -.1079 .5724 .0181
	O36 .5497 -.0425 .3421 .0162
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	Olshanskyite
	Callegari A, Mazzi F, Tadini C
	The Canadian Mineralogist 39 (2001) 137-144
	The crystal structure of olshanskyite
	_database_code_amcsd 0005707
	7.953 9.873 7.362 111.00 94.65 107.53 P-1
	atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ca1 .08117 .03398 .25741 .75 .0093 .0101 .0093 .0035 .0024 .0042
	Ca2 .11601 .67181 .41741 .82 .0095 .0084 .0129 .0031 .0022 .0039
	B1 .2840 .0291 .6344 .66 .0078 .0069 .0098 .0023 .0021 .0028
	B2 .2358 .2864 .6911 .68 .0084 .0077 .0091 .0028 .0014 .0029
	B3 .5283 .2874 .8530 .73 .0081 .0083 .0100 .0025 .0015 .0026
	O1 .2590 -.0683 .4197 .83 .0099 .0114 .0091 .0041 .0029 .0026
	O2 .2003 -.0901 .7134 .87 .0123 .0100 .0108 .0020 .0024 .0057
	O3 .1684 .1209 .6453 .78 .0072 .0070 .0145 .0025 .0023 .0035
	O4 .1790 .3022 .5027 .95 .0125 .0121 .0106 .0024 .0004 .0057
	O5 .1296 .3593 .8291 .87 .0120 .0099 .0115 .0050 .0042 .0034
	O6 .4297 .3589 .7594 .79 .0074 .0084 .0131 .0015 .0007 .0043
	O7 .7226 .3539 .8568 1.03 .0075 .0102 .0162 .0011 .0011 .0013
	O8 .4976 .3171 .0597 1.22 .0237 .0117 .0111 .0064 .0054 .0046
	O9 .4693 .1190 .7378 .80 .0072 .0073 .0133 .0022 .0008 .0020
	O10 .0691 .1791 .0541 1.13 .0158 .0145 .0125 .0046 .0035 .0060
	O11 .3587 .0524 .1249 1.65 .0153 .0314 .0235 .0094 .0076 .0186
	O12 -.0500 .3918 .2696 1.28 .0191 .0115 .0171 .0057 .0020 .0049
	O13 .3705 .6072 .5114 1.51 .0144 .0257 .0207 .0077 .0037 .0124
	H1 .355 -.077 .376 3.4
	H2 .248 -.063 -.167 3.1
	H4 .246 .382 .491 3.1
	H5 .100 .308 -.094 2.9
	H7 .767 .446 -.049 2.6
	H8 .502 .410 .115 2.9
	H10 .182 .219 .066 3.4
	H11a .424 .128 .103 4.1
	H11b .431 .010 .166 4.7
	H12a -.001 .320 .199 4.0
	H12b -.140 .379 .180 3.9
	H13a .427 .648 .643 3.6
	H13b .452 .624 .431 3.3
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	Chiavennite
	Tazzoli V, Domeneghetti M C, Mazzi F, Cannillo E
	European Journal of Mineralogy 7 (1995) 1339-1334
	The crystal structure of chiavennite
	_database_code_amcsd 0006609
	8.729 31.326 4.903 90 90 90 Pnab
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ca .2500 .0879 0 .0183 .0275 .0138 .0138 0 .0004 0
	Mn 0 0 0 .0152 .0234 .0122 .0099 -.0018 0 .0005
	Be -.0003 .0572 -.4298 .0090 .0166 .0075 .0029 -.0010 .0056 -.0030
	Si1 .2500 .0013 .5000 .0124 .0170 .0100 .0101 0 -.0014 0
	Si2 .5838 .2322 .1047 .0185 .0222 .0113 .0218 .0022 .0023 .0009
	Si3 .1425 -.1351 .2436 .0194 .0213 .0120 .0250 -.0005 -.0028 .0013
	O1 .1392 -.0279 .3134 .0155 .0169 .0124 .0171 -.0011 -.0019 -.0039
	O2 .1517 .0324 -.2957 .0153 .0196 .0123 .0139 .0011 -.0007 -.0015
	O3 .0414 .2391 .1347 .0409 .0357 .0431 .0437 .0011 -.0136 -.0149
	O4 .2500 -.2478 0 .0285 .0294 .0190 .0371 0 .0088 0
	O5 .2500 -.1187 0 .0773 .0768 .0314 .1236 0 .0821 0
	O6 .2500 -.1387 .5000 .1049 .1139 .0510 .1497 0 -.1032 0
	O7 .0800 -.1824 .1773 .0342 .0350 .0141 .0534 -.0026 .0091 -.0109
	O8 .0005 -.1044 .2905 .0207 .0250 .0132 .0239 -.0033 .0043 -.0058
	OH .0125 .0581 .2430 .0207 .0266 .0162 .0192 .0017 -.0029 -.0001
	Wat .1581 .1474 .2602 .0371 .0431 .0322 .0359 .0098 -.0032 -.0139
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	Kurchatovite
	Callegari A, Mazzi F, Tadini C
	European Journal of Mineralogy 15 (2003) 277-282
	Modular aspects of the crystal structures of kurchatovite and clinokurchatovite
	Locality: Solongo, Siberia
	_database_code_amcsd 0006973
	36.34 11.135 5.499 90 90 90 Pbca
	atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ca1 .02961 .87294 .11592 .91 .0096 .0120 .0130 .0007 .0006 .0004
	Ca2 .13593 .11800 .68468 .93 .0088 .0129 .0138 .0006 -.0007 -.0010
	Ca3 .19752 .88076 .87266 .97 .0093 .0120 .0157 .0007 -.0004 -.0010
	Mg1 .0792 .1282 .1395 .83 .0087 .0128 .0100 -.0004 .0002 .0003
	Mg2 .0880 .8717 .6353 .84 .0087 .0129 .0102 -.0002 .0001 .0001
	Mg3 .2456 .1309 -.0941 .80 .0089 .0112 .0103 -.0003 .0003 -.0005
	B1 .0583 .1244 .6227 .86 .0106 .0103 .0118 -.0002 .0002 .0022
	B2 .1084 .8845 .1419 .85 .0104 .0118 .0099 .0012 -.0003 -.0011
	B3 .2238 .1164 .4063 .83 .0104 .0108 .0104 .0008 -.0001 -.0028
	B4 .0038 .1198 .3488 .84 .0082 .0110 .0127 -.0009 -.0004 .0001
	B5 .1634 .8770 .4040 .83 .0099 .0106 .0111 -.0015 .0003 .0006
	B6 .1697 .1230 .1429 .78 .0097 .0089 .0110 -.0006 .0002 .0003
	O1 .0730 .1981 .7933 .89 .0119 .0116 .0104 -.0007 -.0012 -.0002
	O2 .0893 .8046 .2817 .90 .0102 .0123 .0118 -.0012 .0002 -.0002
	O3 .2422 .1958 .2624 .91 .0104 .0126 .0118 -.0011 .0004 .0003
	O4 .0801 .0500 .4882 .94 .0110 .0131 .0118 .0016 -.0006 .0004
	O5 .0909 -.0442 -.0229 .98 .0123 .0138 .0113 .0015 -.0013 -.0004
	O6 .2419 .0453 .5676 .98 .0118 .0135 .0118 .0017 -.0014 -.0008
	O7 .0196 .1273 .5841 1.01 .0091 .0193 .0101 .0002 .0002 -.0012
	O8 .1468 .8926 .1710 1.03 .0089 .0205 .0099 -.0022 -.0009 .0017
	O9 .1852 .1090 .3791 .99 .0078 .0189 .0109 -.0005 -.0002 .0021
	O10 .0232 .0822 .1522 .94 .0099 .0148 .0111 -.0002 .0007 -.0008
	O11 .1447 -.0958 .6103 .94 .0107 .0145 .0106 .0006 .0009 -.0009
	O12 .1891 .0906 -.0578 .93 .0088 .0141 .0123 .0003 .0005 -.0019
	O13 .0316 .8415 .6682 1.11 .0076 .0193 .0154 .0010 -.0004 -.0008
	O14 .1351 .1694 .1307 1.09 .0081 .0178 .0154 .0011 .0002 -.0008
	O15 .1982 .8328 .4036 1.13 .0082 .0157 .0191 .0011 -.0005 -.0023
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	Clinokurchatovite
	Callegari A, Mazzi F, Tadini C
	European Journal of Mineralogy 15 (2003) 277-282
	Modular aspects of the crystal structures of kurchatovite and clinokurchatovite
	Locality: Sayak, Kazackhstan
	_database_code_amcsd 0006974
	12.329 11.146 5.519 90 101.62 90 P2_1/c
	atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ca1 .08978 .87289 .15611 .62 .0072 .0072 .0091 .0008 .0019 .0006
	Ca2 .40702 .11837 .86805 .64 .0067 .0077 .0095 .0006 .0006 -.0011
	Mg1 .2373 .1279 .2478 .51 .0063 .0071 .0061 -.0002 .0017 .0000
	Mg2 .2643 .8721 .7546 .51 .0059 .0073 .0064 -.0002 .0013 .0001
	B1 .1739 .1246 .7014 .54 .0060 .0081 .0064 -.0004 .0012 .0016
	B2 .3273 .8835 .2891 .55 .0071 .0075 .0061 .0009 .0012 -.0016
	B3 .0105 .1195 .3531 .57 .0058 .0068 .0092 -.0001 .0018 -.0013
	B4 .4913 .8757 .6263 .54 .0059 .0069 .0072 -.0009 -.0003 .0007
	O1 .2179 .1975 .8926 .67 .0089 .0082 .0081 -.0016 .0013 -.0009
	O2 .2688 .8045 .4026 .62 .0083 .0082 .0072 -.0022 .0019 .0005
	O3 .2392 .0495 .5969 .65 .0095 .0085 .0072 .0011 .0026 .0001
	O4 .2748 -.0444 .1015 .60 .0083 .0089 .0054 .0018 .0006 .0002
	O5 .0576 .1278 .6089 .73 .0068 .0142 .0068 .0005 .0013 -.0026
	O6 .4431 .8898 .3707 .72 .0056 .0159 .0054 -.0003 .0000 .0012
	O7 .0692 .0821 .1837 .61 .0071 .0090 .0073 .0006 .0022 -.0012
	O8 .4337 -.0936 .8033 .61 .0058 .0108 .0067 .0007 .0016 -.0006
	O9 .0956 .8412 .7142 .70 .0052 .0091 .0120 .0013 .0006 -.0004
	O10 .4045 .1694 .3183 .72 .0052 .0091 .0125 .0007 .0005 -.0004
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	Taramellite
	Mazzi F, Rossi G
	Zeitschrift fur Kristallographie 121 (1965) 243-257
	The crystal structure of taramellite Ba2(Fe,Ti,Mg)2H2(O2(Si4O12))
	Locality: Fresno County, California, USA
	_database_code_amcsd 0010620
	13.95 12.21 7.15 90 90 90 *Pmmn
	-.25 -.25 0
	atom x y z occ Biso
	Ba1 .25 .75 .240 .61
	Ba2 .25 .25 .462 .61
	Ba3 .473 .25 .009 .61
	Fe .498 .128 .525 .5 .63
	Ti .498 .128 .525 .5 .63
	Si1 .366 .010 .212 .10
	Si2 .643 .027 .211 .10
	O1 .25 -.013 .211 .49
	O2 .75 .979 .275 .49
	O3 .579 .25 .408 .49
	O4 .578 .75 .357 .49
	O5 .610 .963 .014 .49
	O6 .397 .120 .332 .49
	O7 .408 .894 .266 .49
	O8 .651 .155 .132 .49
	O9 .572 .003 .385 .49
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	Leucophanite
	Cannillo E, Giuseppetti G, Mazzi F, Tazzoli V
	Zeitschrift fur Kristallographie 202 (1992) 71-79
	The crystal structure of a rare earth bearing leucophanite:
	(Ca,RE)CaNa2Be2Si4O12(F,O)2
	Locality: Mt Saint Hilaire, Quebec, Canada
	_database_code_amcsd 0011026
	7.417 7.398 9.986 90 90 90 P1
	atom x y z occ Uiso
	Caa .1037 -.1711 .0096 .92 .0098
	CeCaa .1037 -.1711 .0096 .032 .0098
	NdCaa .1037 -.1711 .0096 .024 .0098
	LaCaa .1037 -.1711 .0096 .016 .0098
	PrCaa .1037 -.1711 .0096 .008 .0098
	Cab -.1030 .3306 .4904 .82 .0105
	CeCab -.1030 .3306 .4904 .072 .0105
	NdCab -.1030 .3306 .4904 .054 .0105
	LaCab -.1030 .3306 .4904 .036 .0105
	PrCab -.1030 .3306 .4904 .018 .0105
	Cac .3963 .1720 -.4903 .98 .0115
	CeCac .3963 .1720 -.4903 .008 .0115
	NdCac .3963 .1720 -.4903 .006 .0115
	LaCac .3963 .1720 -.4903 .004 .0115
	PrCac .3963 .1720 -.4903 .002 .0115
	Cad -.3963 -.3282 -.0100 .98 .0107
	CeCad -.3963 -.3282 -.0100 .008 .0107
	NdCad -.3963 -.3282 -.0100 .006 .0107
	LaCad -.3963 -.3282 -.0100 .004 .0107
	PrCad -.3963 -.3282 -.0100 .002 .0107
	Naa .0742 -.1473 .4973 .93 .0204
	CaNaa .0742 -.1473 .4973 .07 .0204
	Nab -.0734 .3526 .0034 .98 .0202
	CaNab -.0734 .3526 .0034 .02 .0202
	Nac .4279 .1481 -.0027 .87 .0206
	CaNac .4279 .1481 -.0027 .13 .0206
	Nad -.4315 -.3515 -.4952 .98 .0228
	CaNac -.4315 -.3515 -.4952 .02 .0228
	Bea .1109 .1313 .2803 .97 .0078
	SiBea .1109 .1313 .2803 .03 .0078
	Beb -.1095 -.3686 .2197 .94 .0000
	SiBeb -.1095 -.3686 .2197 .06 .0000
	Bec .3905 -.1310 -.2199 .98 .0063
	SiBec .3905 -.1310 -.2199 .02 .0063
	Bed -.3916 .3692 -.2803 .96 .0076
	SiBed -.3916 .3692 -.2803 .04 .0076
	Si1a -.2583 .0131 -.2508 .0063
	Si1b .2575 -.4870 -.2492 .0063
	Si1c -.2415 -.0125 .2490 .0065
	Si1d .2419 .4873 .2503 .0067
	Si2a .1077 .1504 -.2256 .0063
	Si2b -.1086 -.3492 -.2741 .94 .0051
	BeSi2b -.1086 -.3492 -.2741 .06 .0051
	Si2c .3922 -.1499 .2737 .97 .0054
	BeSi2c .3922 -.1499 .2737 .03 .0054
	Si2d -.3918 .3502 .2258 .94 .0057
	BeSi2d -.3918 .3502 .2258 .06 .0057
	O1a .2420 .0063 -.1610 .0094
	O1b -.2431 -.4934 -.3393 .0099
	O1c .2581 -.0051 .3387 .0091
	O1d -.2581 .4950 .1606 .0093
	O2a .1031 .1594 -.3844 .0104
	O2b -.1031 -.3410 -.1156 .0098
	O2c .3948 -.1582 .1148 .0098
	O2d -.3936 .3419 .3845 .0099
	O3a -.1638 -.1508 -.3394 .0098
	O3b .1631 .3488 -.1606 .0000
	O3c .6641 .1515 .1609 .0096
	O3d .3360 -.3488 .3385 .0099
	O4a -.1620 -.1692 .1531 .0105
	O4b .1622 .3308 .3462 .0099
	O4c -.3357 .1703 -.3468 .0097
	O4d .3355 -.3301 -.1536 .0094
	O5a -.0881 .0742 .3435 .0096
	O5b .0886 -.4258 .1563 .0093
	O5c -.4121 -.0732 -.1576 .0092
	O5d .4110 .4263 -.3428 .0094
	O6a -.0918 .1010 -.1605 .0000
	O6b .0909 -.3993 -.3393 .0000
	O6c -.4071 -.1024 .3383 .0098
	O6d .4079 .3977 .1609 .0104
	Fa .1033 .1282 .1224 .94 .0144
	OFa .1033 .1282 .1224 .06 .0144
	Fb -.1020 -.3716 .3775 .79 .0131
	OFb -.1020 -.3716 .3775 .21 .0131
	Fc .3957 -.1294 -.3771 .87 .0131
	OFc .3957 -.1294 -.3771 .13 .0131
	Fd -.3971 .3711 -.1228 .86 .0136
	OFd -.3971 .3711 -.1228 .14 .0136
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	Berborite
	Giuseppetti G, Mazzi F, Tadini C, Larsen A O, Asheim A, Raade G
	Neues Jahrbuch fur Mineralogie, Abhandlungen 162 (1990) 101-116
	Berborite polytypes
	Locality: Saga I larvikite quarry, Morje, Porgrunn, Tvelan District, Norway
	Sample: 1T polytype
	Note: anisoU's from ICSD
	_database_code_amcsd 0014716
	4.434 4.434 5.334 90 90 120 P3
	atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	BeA 2/3 1/3 .6085 .66 .00660 .00660 .01184 .00330 0 0
	BeB 1/3 -1/3 .4030 .66 .00680 .00680 .01146 .00340 0 0
	B 0 0 .5 .58 .00499 .00499 .01215 .00249 0 0
	O1 .3089 -.0001 .5 .74 .00442 .00502 .01879 .00249 -.00065 -.00124
	O2A 2/3 1/3 .9089 1.48 .02275 .02275 .01071 .01138 0 0
	O2B 1/3 2/3 .0924 1.61 .02533 .02533 .01059 .01267 0 0
	HA -.438 .427 .983 1/3 3.5
	HB .459 -.444 .020 2/3 3.5
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	Berborite
	Giuseppetti G, Mazzi F, Tadini C, Larsen A O, Asheim A, Raade G
	Neues Jahrbuch fur Mineralogie, Abhandlungen 162 (1990) 101-116
	Berborite polytypes
	Locality: Saga I larvikite quarry, Morje, Porgrunn, Tvelan District, Norway
	Sample: 2H polytype
	Note: anisoU's from ICSD
	_database_code_amcsd 0014717
	4.433 4.433 10.638 90 90 120 *P6_3
	-.33333333 .33333333 0
	atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	BeA 2/3 1/3 .3036 .82 .00642 .00642 .0184 .00321 0 0
	BeB 1/3 2/3 .2009 .70 .00801 .00801 .0107 .00401 0 0
	B 0 0 .25 .61 .00547 .00547 .01213 .00274 0 0
	O1 .3089 -.0002 .25 .76 .00528 .00509 .01832 .00258 -.00083 -.00153
	O2A 2/3 1/3 .4549 1.32 .01865 .01865 .01276 .00932 0 0
	O2B 1/3 2/3 .0450 1.52 .02310 .02310 .01139 .01155 0 0
	HA -.401 .446 .496 1/3 3.0
	HB .439 -.445 .508 2/3 5.0
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	Berborite
	Giuseppetti G, Mazzi F, Tadini C, Larsen A O, Asheim A, Raade G
	Neues Jahrbuch fur Mineralogie, Abhandlungen 162 (1990) 101-116
	Berborite polytypes
	Locality: Saga I larvikite quarry, Morje, Porgrunn, Tvelan District, Norway
	Sample: 2T polytype
	Note: anisoU's from ICSD
	_database_code_amcsd 0014718
	4.431 4.431 10.663 90 90 120 P3c1
	atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	BeA 2/3 1/3 .3039 .67 .00686 .00686 .01157 .00343 0 0
	BeB 1/3 2/3 .2011 .73 .00715 .00715 .01339 .00357 0 0
	B 0 0 .25 .62 .00520 .00520 .01312 .00260 0 0
	O1 .3089 .0000 .25 .78 .00609 .00539 .01979 .00423 .00147 -.00133
	O2A 2/3 1/3 .4544 1.53 .02377 .02377 .01065 .01189 0 0
	O2B 1/3 2/3 .0462 1.62 .02438 .02438 .01274 .01219 0 0
	HA -.451 .444 .491 1/3 3.0
	HB .452 -.444 .511 2/3 5.0
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	Chabazite-Ca
	Mazzi F, Galli E
	Neues Jahrbuch fur Mineralogie, Monatshefte 1983 (1983) 461-480
	The tetrahedral framework of chabazite
	Locality: Wasson's Bluff, Two Island, Nova Scotia, Canada
	Note: Occupancies invented to match formula and refinement
	Sample: C 1a, trigonal refinement
	_database_code_amcsd 0014779
	9.4012 9.4012 9.4012 94.364 94.364 94.364 R-3m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	CaX1 .2260 .2260 .2260 .15 4.7 .0151 .0151 .0151 .0129 .0129 .0129
	NaX1 .2260 .2260 .2260 .028 4.7 .0151 .0151 .0151 .0129 .0129 .0129
	KX1 .2260 .2260 .2260 .022 4.7 .0151 .0151 .0151 .0129 .0129 .0129
	CaX2 .5801 .5801 .2340 .02 2.5
	NaX2 .5801 .5801 .2340 .005 2.5
	KX2 .5801 .5801 .2340 .005 2.5
	CaX3 .4052 .4052 .4052 .16 4.7
	NaX3 .4052 .4052 .4052 .04 4.7
	KX3 .4052 .4052 .4052 .03 4.7
	CaX4 .5 .5 0 .09 10.0
	NaX4 .5 .5 0 .02 10.0
	KX4 .5 .5 0 .01 10.0
	Si .10459 .33338 -.12420 .737 .93 .0024 .0022 .0033 .0001 -.0002 -.0001
	Al .10459 .33338 -.12420 .263 .93 .0024 .0022 .0033 .0001 -.0002 -.0001
	O1 .2620 -.2620 0 2.6 .0061 .0061 .0089 .0000 -.0026 -.0026
	O2 .1522 -.1522 .5 2.1 .0073 .0073 .0029 .0006 .0000 0
	O3 .2525 .2525 -.1077 2.6 .0044 .0044 .0135 .0016 .0010 .0010
	O4 .0249 .0249 .3238 2.4 .0063 .0063 .0083 .0027 .0018 .0018
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	Chabazite-Ca
	Mazzi F, Galli E
	Neues Jahrbuch fur Mineralogie, Monatshefte 1983 (1983) 461-480
	The tetrahedral framework of chabazite
	Locality: Wasson's Bluff, Two Island, Nova Scotia, Canada
	Note: Occupancies invented to match formula and refinement
	Sample: C 1a, triclinic refinement
	_database_code_amcsd 0014780
	9.4094 9.3955 9.4012 94.337 94.269 94.403 P-1
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	CaX1 .2258 .2269 .2262 .15 4.7 .0146 .0167 .0148 .0130 .0124 .0131
	NaX1 .2258 .2269 .2262 .028 4.7 .0146 .0167 .0148 .0130 .0124 .0131
	KX1 .2258 .2269 .2262 .022 4.7 .0146 .0167 .0148 .0130 .0124 .0131
	CaX2A .5817 .2344 .5819 .02 .7
	NaX2A .5817 .2344 .5819 .005 .7
	KX2A .5817 .2344 .5819 .005 .7
	CaX2B .5776 .5803 .2363 .02 3.1
	NaX2B .5776 .5803 .2363 .005 3.1
	KX2B .5776 .5803 .2363 .005 3.1
	CaX2C .2381 .5788 .5795 .02 3.3
	NaX2C .2381 .5788 .5795 .005 3.3
	KX2C .2381 .5788 .5795 .005 3.3
	CaX3 .4023 .4080 .4044 .16 4.8
	NaX3 .4023 .4080 .4044 .04 4.8
	KX3 .4023 .4080 .4044 .03 4.8
	CaX4A .5 0 .5 .09 9.6
	NaX4A .5 0 .5 .02 9.6
	KX4A .5 0 .5 .01 9.6
	CaX4B .5 .5 0 .09 9.8
	NaX4B .5 .5 0 .02 9.8
	KX4B .5 .5 0 .01 9.8
	CaX4C 0 .5 .5 .09 10.1
	NaX4C 0 .5 .5 .02 10.1
	KX4C 0 .5 .5 .01 10.1
	Si1 .3331 .1054 -.1227 .6964 .93 .0024 .0022 .0034 .0002 -.0003 .0003
	Al1 .3331 .1054 -.1227 .302 .93 .0024 .0022 .0034 .0002 -.0003 .0003
	Si2 .3343 -.1232 .1049 .6864 .95 .0021 .0038 .0023 -.0001 .0003 .0001
	Al2 .3343 -.1232 .1049 .312 .95 .0021 .0038 .0023 -.0001 .0003 .0001
	Si3 .1040 -.1243 .3347 .6794 .97 .0026 .0038 .0020 .0003 .0003 -.0002
	Al3 .1040 -.1243 .3347 .319 .97 .0026 .0038 .0020 .0003 .0003 -.0002
	Si4 .1037 .3339 -.1250 .7464 .90 .0025 .0020 .0032 .0004 -.0001 0
	Al4 .1037 .3339 -.1250 .252 .90 .0025 .0020 .0032 .0004 -.0001 0
	Si5 -.1246 .3323 .1037 .8 .95 .0034 .0020 .0026 0 .0001 -.0001
	Al5 -.1246 .3323 .1037 .2 .95 .0034 .0020 .0026 0 .0001 -.0001
	Si6 -.1231 .1041 .3317 .802 .97 .0035 .0026 .0022 .0003 -.0001 0
	Al6 -.1231 .1041 .3317 .198 .97 .0035 .0026 .0022 .0003 -.0001 0
	O1A -.2603 .0011 .2597 2.5 .0055 .0084 .0064 -.0021 -.0004 -.0018
	O1B .2634 -.2605 -.0028 2.6 .0061 .0062 .0090 -.0007 .0027 .0021
	O1C .0015 .2635 -.2647 2.8 .0099 .0070 .0060 -.0030 -.0036 .0006
	O2A -.1508 .4983 .1508 2.0 .0071 .0025 .0074 .0005 -.0004 -.0004
	O2B .1535 -.1518 .5026 2.2 .0084 .0076 .0026 .0010 .0001 .0001
	O2C .4994 .1525 -.1534 2.1 .0034 .0070 .0075 .0004 -.0003 .0007
	O3A .2525 -.1102 .2537 2.7 .0044 .0143 .0048 .0018 .0021 .0015
	O3B .2518 .2542 -.1071 2.6 .0043 .0048 .0132 .0021 .0011 .0008
	O3C -.1062 .2515 .2512 2.5 .0119 .0049 .0043 .0002 .0003 .0014
	O4A .0226 .3219 .0225 2.5 .0070 .0085 .0069 .0019 .0029 .0023
	O4B .0254 .0251 .3236 2.3 .0066 .0060 .0080 .0029 .0012 .0020
	O4C .3248 .0269 .0273 2.3 .0080 .0057 .0068 .0018 .0007 .0016
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	Chabazite-Na
	Mazzi F, Galli E
	Neues Jahrbuch fur Mineralogie, Monatshefte 1983 (1983) 461-480
	The tetrahedral framework of chabazite
	Locality: Richmond, Melbourne, Victoria, Australia
	Note: Occupancies invented to match formula and refinement
	Sample: C 4a, trigonal refinement
	_database_code_amcsd 0014781
	9.4376 9.4376 9.4376 94.137 94.137 94.137 R-3m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	NaX1 .2089 .2089 .2089 .15 3.9 .0128 .0128 .0128 .0122 .0122 .0122
	CaX1 .2089 .2089 .2089 .11 3.9 .0128 .0128 .0128 .0122 .0122 .0122
	KX1 .2089 .2089 .2089 .04 3.9 .0128 .0128 .0128 .0122 .0122 .0122
	NaX2 .5767 .5767 .2132 .015 4.1
	CaX2 .5767 .5767 .2132 .011 4.1
	KX2 .5767 .5767 .2132 .014 4.1
	NaX3 .4030 .4030 .4030 .12 7.9
	CaX3 .4030 .4030 .4030 .08 7.9
	KX3 .4030 .4030 .4030 .03 7.9
	NaX4 .5 .5 0 .07 10.1
	CaX4 .5 .5 0 .045 10.1
	KX4 .5 .5 0 .015 10.1
	Si .10338 .33257 -.12461 .662 .95 .0026 .0019 .0035 .0005 .0002 -.0004
	Al .10338 .33257 -.12461 .338 .95 .0026 .0019 .0035 .0005 .0002 -.0004
	O1 .2650 -.2650 0 2.7 .0070 .0070 .0079 -.0001 -.0019 -.0019
	O2 .1504 -.1504 .5 2.3 .0080 .0080 .0032 -.0003 .0008 .0008
	O3 .2522 .2522 -.1082 2.5 .0045 .0045 .0124 .0016 .0001 .0001
	O4 .0232 .0232 .3172 2.5 .0069 .0069 .0080 .0023 .0019 .0019
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	Chabazite-Na
	Mazzi F, Galli E
	Neues Jahrbuch fur Mineralogie, Monatshefte 1983 (1983) 461-480
	The tetrahedral framework of chabazite
	Locality: Richmond, Melbourne, Victoria, Australia
	Note: Occupancies invented to match formula and refinement
	Note: This structure matches the reported bond lengths for C 4b, not C 4a
	Sample: C 4a, triclinic refinement
	_database_code_amcsd 0014782
	9.4410 9.4344 9.4375 94.214 94.080 94.104 P-1
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	NaX1 .2090 .2085 .2081 .15 4.7 .0152 .0157 .0149 .0138 .0136 .0139
	CaX1 .2090 .2085 .2081 .11 4.7 .0152 .0157 .0149 .0138 .0136 .0139
	KX1 .2090 .2085 .2081 .04 4.7 .0152 .0157 .0149 .0138 .0136 .0139
	NaX2A .5765 .2152 .5783 .015 4.9
	CaX2A .5765 .2152 .5783 .011 4.9
	KX2A .5765 .2152 .5783 .014 4.9
	NaX2B .5747 .5808 .2148 .015 4.8
	CaX2B .5747 .5808 .2148 .011 4.8
	KX2B .5747 .5808 .2148 .014 4.8
	NaX2C .2092 .5686 .5758 .015 4.2
	CaX2C .2092 .5686 .5758 .011 4.2
	KX2C .2092 .5686 .5758 .014 4.2
	NaX3 .4038 .4018 .4033 .12 8.3
	CaX3 .4038 .4018 .4033 .08 8.3
	KX3 .4038 .4018 .4033 .03 8.3
	NaX4A .5 0 .5 .07 11.6
	CaX4A .5 0 .5 .045 11.6
	KX4A .5 0 .5 .015 11.6
	NaX4B .5 .5 0 .07 11.7
	CaX4B .5 .5 0 .045 11.7
	KX4B .5 .5 0 .015 11.7
	NaX4C 0 .5 .5 .07 12.2
	CaX4C 0 .5 .5 .045 12.2
	KX4C 0 .5 .5 .015 12.2
	Si1 .3330 .1032 -.1251 .659 .94 .0018 .0027 .0034 .0003 -.0001 .0002
	Al1 .3330 .1032 -.1251 .341 .94 .0018 .0027 .0034 .0003 -.0001 .0002
	Si2 .3322 -.1249 .1035 .621 .95 .0021 .0037 .0023 -.0004 .0004 .0001
	Al2 .3322 -.1249 .1035 .379 .95 .0021 .0037 .0023 -.0004 .0004 .0001
	Si3 .1031 -.1246 .3321 .702 .92 .0027 .0031 .0020 .0003 .0005 -.0001
	Al3 .1031 -.1246 .3321 .298 .92 .0027 .0031 .0020 .0003 .0005 -.0001
	Si4 .1027 .3321 -.1246 .684 .93 .0023 .0020 .0037 .0006 .0004 -.0005
	Al4 .1027 .3321 -.1246 .316 .93 .0023 .0020 .0037 .0006 .0004 -.0005
	Si5 -.1245 .3329 .1036 .635 .99 .0036 .0021 .0028 -.0003 .0003 .0005
	Al5 -.1245 .3329 .1036 .365 .99 .0036 .0021 .0028 -.0003 .0003 .0005
	Si6 -.1239 .1038 .3334 .691 .94 .0035 .0026 .0019 .0002 -.0008 .0003
	Al6 -.1239 .1038 .3334 .309 .94 .0035 .0026 .0019 .0002 -.0008 .0003
	O1A -.2650 .0013 .2658 2.8 .0072 .0086 .0068 -.0030 .0001 -.0017
	O1B .2654 -.2656 -.0012 2.8 .0078 .0080 .0071 .0002 -.0017 -.0014
	O1C .0004 .2637 -.2642 2.5 .0080 .0063 .0061 -.0020 -.0018 -.0005
	O2A -.1494 .5004 .1505 2.4 .0084 .0032 .0084 .0008 -.0010 .0005
	O2B .1493 -.1507 .4990 2.1 .0088 .0065 .0028 -.0003 .0014 -.0001
	O2C .5000 .1509 -.1510 2.3 .0040 .0089 .0069 .0008 .0010 .0005
	O3A .2513 -.1084 .2519 2.5 .0053 .0123 .0041 -.0006 .0024 .0001
	O3B .2525 .2517 -.1096 2.4 .0030 .0045 .0130 .0009 -.0001 .0003
	O3C -.1072 .2526 .2534 2.6 .0122 .0050 .0051 .0003 .0002 .0015
	O4A .0241 .3184 .0232 2.7 .0073 .0084 .0077 .0015 .0024 .0022
	O4B .0224 .0230 .3168 2.4 .0061 .0077 .0078 .0028 .0022 .0029
	O4C .3170 .0236 .0227 2.5 .0078 .0067 .0073 .0014 .0017 .0024
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	Edingtonite
	Mazzi F, Galli E, Gottardi G
	Neues Jahrbuch fur Mineralogie, Monatshefte 1984 (1984) 373-382
	Crystal structure refinement of two tetragonal edingtonites
	Locality: Ice River, British Columbia, Canada
	_database_code_amcsd 0014790
	9.581 9.581 6.526 90 90 90 P-42_1m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Ba1 .5 0 .360719 .928 .003593 .003593 .010515 -.00061 0 0
	K2 .5 0 .430858 .048 .001444 .001444 .000111 -.000727 0 0
	SiT1 0 0 0 .613 .001953 .001953 .004057 0 0 0
	AlT1 0 0 0 .390 .001953 .001953 .004057 0 0 0
	SiT2 -.173413 .09336 .381197 .613 .001675 .002050 .004109 .00022 .000007 .000084
	AlT2 -.173413 .09336 .381197 .390 .001675 .002050 .004109 .00022 .000007 .000084
	O1 .173445 .326555 .623191 .002752 .002752 .008716 -.000367 -.000018 .000018
	O2/3 -.044686 .196214 .465426 .003493 .003579 .007714 -.00046 -.000859 .000419
	O4/5 -.137196 .038225 .144283 .00314 .004674 .007359 .000254 .000524 -.000674
	Ow1 .1753 .3247 .1448 .918 3.05
	Ow2 .3793 .1207 -.0211 .933 4.17
	H1 .2385 .3693 .0594 .918 3.5
	H2 .4134 .2020 .0435 .933 4.5
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	Edingtonite
	Mazzi F, Galli E, Gottardi G
	Neues Jahrbuch fur Mineralogie, Monatshefte 1984 (1984) 373-382
	Crystal structure refinement of two tetragonal edingtonites
	Locality: Old Kilpatrick, Dumbartonshire, Scotland
	_database_code_amcsd 0014791
	9.584 9.584 6.524 90 90 90 P-42_1m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Ba1 .5 0 .640943 .879 .003331 .003331 .010308 -.000614 0 0
	Na2 .5 0 .568205 .030 .004547 .004547 .002643 -.000835 0 0
	K2 .5 0 .568205 .025 .004547 .004547 .002643 -.000835 0 0
	SiT1 0 0 0 .612 .001917 .001917 .003161 0 0 0
	AlT1 0 0 0 .388 .001917 .001917 .003161 0 0 0
	SiT2 -.17305 .093529 .381427 .612 .00166 .001958 .003715 .00017 .000054 .000159
	AlT2 -.17305 .093529 .381427 .388 .00166 .001958 .003715 .00017 .000054 .000159
	O1 .174051 .325949 .622628 .002778 .002778 .008907 -.000406 -.000132 .000132
	O2/3 -.044376 .195859 .465087 .003419 .003737 .006999 -.000617 -.000995 .00054
	O4/5 -.137298 .03829 .144575 .003129 .004929 .006965 .000408 .00077 -.000374
	Ow1 .1747 .3253 .1445 .939 3.20
	Ow2 .3790 .1210 -.0195 .936 4.35
	H1 .2385 .3693 .0594 .939 3.5
	H2 .4134 .2020 .0435 .936 4.5
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	Burkeite
	Giuseppetti G, Mazzi F, Tadini C
	Neues Jahrbuch fur Mineralogie, Monatshefte 1988 (1988) 203-221
	The crystal structure of synthetic burkeite Na4SO4(CO3)t(SO4)1-t
	Sample A
	Note sign of y-coordinate for O3 and O5 altered to reproduce reported bond lengths
	Locality: synthetic
	_database_code_amcsd 0014823
	5.170 9.217 7.058 90 90 90 Pmnm
	atom x y z occ Biso
	Na1 .25 .7509 .0051 2.24
	Na2 .25 .4254 .25 5.46
	Na3 .75 .8754 .25 2.19
	CT1 .75 .5584 .25 .61 1.61
	ST1 .75 .5584 .25 .39 1.61
	ST2 .2951 .0913 .25 .5 1.16
	O1 .75 .4226 .25 .85 3.8
	O2 .5357 .6403 .25 .88 2.9
	O3 .75 -.4693 .0819 .15 5.5
	O4 .9307 .5809 .0951 .12 6.0
	O5 .1927 -.1645 .0815 .5 2.5
	O6 .2164 -.0632 .25 .5 1.5
	O7 .5798 .1057 .25 .5 2.2
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	Burkeite
	Giuseppetti G, Mazzi F, Tadini C
	Neues Jahrbuch fur Mineralogie, Monatshefte 1988 (1988) 203-221
	The crystal structure of synthetic burkeite
	Sample B
	Note sign of y-coordinate for O3 and O5 altered to reproduce reported bond lengths
	Locality: synthetic
	_database_code_amcsd 0014824
	5.177 9.224 7.066 90 90 90 Pmnm
	atom x y z occ Biso
	Na1 .25 .7510 .0054 2.38
	Na2 .25 .4257 .25 5.70
	Na3 .75 .8788 .25 2.29
	C .75 .5590 .25 .55 1.65
	S1 .75 .5590 .25 .45 1.65
	S2 .2939 .0908 .25 .5 1.25
	O1 .75 .4219 .25 .83 4.3
	O2 .5355 .6427 .25 .86 3.0
	O3 .75 -.4700 .0784 .17 5.3
	O4 .9281 .5783 .0941 .14 5.2
	O5 .1896 -.1632 .0813 .5 2.5
	O6 .2156 -.0641 .25 .5 1.6
	O7 .5757 .1061 .25 .5 2.4
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	Burkeite
	Giuseppetti G, Mazzi F, Tadini C
	Neues Jahrbuch fur Mineralogie, Monatshefte 1988 (1988) 203-221
	The crystal structure of synthetic burkeite
	Sample C
	Note sign of y-coordinate for O3 and O5 altered to reproduce reported bond lengths
	Locality: synthetic
	_database_code_amcsd 0014825
	5.198 9.255 7.085 90 90 90 Pmnm
	atom x y z occ Biso
	Na1 .25 .7512 .0047 2.39
	Na2 .25 .4250 .25 5.79
	Na3 .75 .8805 .25 2.45
	C .75 .5606 .25 .49 1.84
	S1 .75 .5606 .25 .51 1.84
	S2 .2942 .0896 .25 .5 1.30
	O1 .75 .4216 .25 .83 4.2
	O2 .5358 .6429 .25 .83 2.7
	O3 .75 -.4701 .0854 .17 5.9
	O4 .9310 .5834 .0888 .17 4.5
	O5 .1892 -.1606 .0816 .5 2.9
	O6 .2177 -.0651 .25 .5 1.7
	O7 .5755 .1071 .25 .5 2.3
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	Chalcosiderite
	Giuseppetti G, Mazzi F, Tadini C
	Neues Jahrbuch fur Mineralogie, Monatshefte 1989 (1989) 227-239
	The crystal structure of chalcosiderite, CuFe3+6(PO4)4(OH)8*4H2O
	Locality: Wheal Phoenix Mine, Cornwall, England
	_database_code_amcsd 0014837
	7.653 7.873 10.190 67.57 69.17 64.93 P-1
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Cu 0 0 0 1.05 .0052 .0050 .0027 -.0016 .0005 -.0009
	Fe1 .2863 .1822 .7530 .88 .72 .0050 .0033 .0023 -.0017 -.0008 -.0011
	Al1 .2863 .1822 .7530 .12 .72 .0050 .0033 .0023 -.0017 -.0008 -.0011
	Fe2 .7560 .1873 .2743 .88 .69 .0046 .0031 .0023 -.0014 -.0007 -.0012
	Al2 .7560 .1873 .2743 .12 .69 .0046 .0031 .0023 -.0014 -.0007 -.0012
	Fe3 .2444 .5032 .2433 .97 .74 .0044 .0037 .0022 -.0015 -.0004 -.0011
	Al3 .2444 .5032 .2433 .03 .74 .0044 .0037 .0022 -.0015 -.0004 -.0011
	P1 .3500 .3823 .9482 .74 .0046 .0039 .0022 -.0018 -.0005 -.0009
	P2 .8433 .3807 .4621 .73 .0047 .0038 .0020 -.0019 -.0004 -.0009
	O1 .0608 .3635 .3913 1.13 .0042 .0078 .0032 -.0029 .0008 -.0018
	O2 .8063 .3361 .6284 1.01 .0067 .0062 .0021 -.0026 -.0003 -.0014
	O3 .2754 .3486 .1144 1.03 .0069 .0060 .0020 -.0029 .0005 -.0015
	O4 .0715 .0619 .1939 1.49 .0069 .0086 .0046 -.0029 -.0015 -.0012
	O5 .2330 .0815 .6260 1.12 .0082 .0051 .0035 -.0029 -.0022 -.0009
	O6 .7393 .0863 .1184 .97 .0053 .0048 .0031 -.0014 -.0006 -.0016
	O7 .2953 .4154 .6000 1.14 .0066 .0048 .0032 -.0017 -.0009 -.0003
	O8 .3320 .2215 .9104 1.24 .0097 .0055 .0036 -.0030 -.0022 -.0014
	O9 .9859 .2743 .8564 1.05 .0057 .0047 .0035 -.0015 -.0006 -.0015
	O10 .5830 .0437 .6829 1.42 .0081 .0061 .0043 -.0031 -.0003 -.0011
	O11 .7838 .4188 .1255 1.15 .0060 .0043 .0038 -.0013 -.0016 .0000
	O12 .4640 .2907 .3331 1.13 .0059 .0060 .0031 -.0019 -.0006 -.0009
	O13 .7944 .2251 .4377 1.04 .0084 .0049 .0029 -.0034 -.0013 -.0010
	O14 .5690 .3681 .9048 1.01 .0043 .0068 .0028 -.0027 -.0001 -.0010
	H1 .157 -.075 .239 3
	H2 .134 .114 .210 11
	H3 .641 .097 .604 4
	H4 .598 -.057 .677 5
	H5 .162 .160 .544 7
	H6 .652 .175 .050 3
	H7 .983 .323 .915 4
	H8 .449 .281 .417 9
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	Leadhillite
	Giuseppetti G, Mazzi F, Tadini C
	Neues Jahrbuch fur Mineralogie, Monatshefte 1990 (1990) 255-268
	The crystal structure of leadhillite: Pb4(SO4)(CO3)2(OH)2
	Locality: Iglesiente area, Sardinia, Italy
	_database_code_amcsd 0014843
	9.11 20.82 11.59 90 90.46 90 P2_1/a
	atom x y z Biso
	Pb1 .4179 .1789 .1083 .85
	Pb2 .4295 .4324 .1034 .85
	Pb3 .4143 .6934 .0939 .90
	Pb4 .4065 .9385 .1032 .85
	Pb5 .6260 .0479 .3211 2.35
	Pb6 .5584 .2826 .3380 1.26
	Pb7 .5354 .5736 .3188 2.78
	Pb8 .6078 .8319 .3187 1.33
	S1 .2300 .0737 .4873 1.18
	S2 .2384 .3175 .5132 1.09
	C1 .256 .057 .158 1.6
	C2 .257 .313 .146 1.0
	C3 .250 .563 .124 1.1
	C4 .249 .809 .155 3.7
	O1 .074 .087 .465 4.2
	O2 .100 .281 .541 1.0
	O3 .300 .138 .475 2.1
	O4 .208 .387 .512 2.3
	O5 .285 .024 .411 5.6
	O6 .292 .293 .400 2.2
	O7 .242 .055 .614 2.1
	O8 .346 .304 .606 2.2
	O9 .184 .005 .150 1.2
	O10 .183 .258 .152 1.7
	O11 .183 .507 .129 1.4
	O12 .172 .758 .139 1.0
	O13 .397 .057 .153 2.1
	O14 .401 .311 .151 1.0
	O15 .395 .562 .128 1.6
	O16 .389 .807 .152 1.9
	O17 .183 .114 .164 1.8
	O18 .183 .367 .131 1.8
	O19 .172 .617 .119 1.0
	O20 .181 .868 .151 1.1
	OH1 .467 .184 .294 2.4
	OH2 .386 .448 .288 1.7
	OH3 .388 .671 .284 1.4
	OH4 .468 .936 .290 1.4
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	Langbanite
	Giuseppetti G, Mazzi F, Tadini C
	Neues Jahrbuch fur Mineralogie, Monatshefte 1991 (1991) 193-211
	The crystal structure of monoclinic langbanite:
	(Mn,Ca,Fe,Mg)2+4(Mn,Fe)3+9Sb5+[O16(SiO4)2]
	Locality: Langban, Sweden
	_database_code_amcsd 0014850
	11.561 20.05 11.075 90 90.03 90 C2/m
	atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Sba 0 0 0 .38 .00467 .00503 .00469 0 -.00149 0
	Sbb 0 .3254 0 .36 .00358 .00550 .00468 0 -.00155 0
	Mn1a .5 0 0 .57 2.43 .02301 .01190 .05750 0 .02853 0
	Ca1a .5 0 0 .43 2.43 .02301 .01190 .05750 0 .02853 0
	Mn1b .5 .337 0 .96 .64 .00584 .00693 .01143 0 .00057 0
	Mg1b .5 .337 0 .04 .64 .00584 .00693 .01143 0 .00057 0
	Mn1c .25 .25 0 .97 .63 .00527 .00766 .01099 .00033 -.00214 -.00090
	Mg1c .25 .25 0 .03 .63 .00527 .00766 .01099 .00033 -.00214 -.00090
	Mn1d .2509 .0857 .0053 .91 .93 .00760 .01019 .01761 -.00082 -.00469 .00480
	Ca1d .2509 .0857 .0053 .09 .93 .00760 .01019 .01761 -.00082 -.00469 .00480
	Mn2a .8103 0 .2605 .77 .50 .00639 .00717 .00529 0 -.00067 0
	Fe2a .8103 0 .2605 .23 .50 .00639 .00717 .00529 0 -.00067 0
	Mn2b .8404 .3333 .2700 .82 .45 .00395 .00799 .00524 .00043 -.00145 .00025
	Fe2b .8404 .3333 .2700 .18 .45 .00395 .00799 .00524 .00043 -.00145 .00025
	Mn2c .0831 .0785 .2702 .61 .48 .00576 .00683 .00563 -.00059 -.00144 .00003
	Fe2c .0831 .0785 .2702 .39 .48 .00576 .00683 .00563 -.00059 -.00144 .00003
	Mn2d .0938 .2374 .2675 .72 .49 .00513 .00762 .00585 .00001 -.00174 .00019
	Fe2d .0938 .2374 .2675 .28 .49 .00513 .00762 .00585 .00001 -.00174 .00019
	Mn2e .0758 .413 .2626 .60 .45 .00534 .00660 .00528 -.00040 -.00173 -.00025
	Fe2e .0758 .413 .2626 .40 .45 .00534 .00660 .00528 -.00040 -.00173 -.00025
	Mn3a .5 0 .5 .91 .66 .00598 .00607 .01309 0 .00294 0
	Fe3a .5 0 .5 .09 .66 .00598 .00607 .01309 0 .00294 0
	Mn3b .5 .3389 .5 .87 .48 .00363 .00546 .00899 0 .00008 0
	Fe3b .5 .3389 .5 .13 .48 .00363 .00546 .00899 0 .00008 0
	Mn3c .25 .25 .5 .99 .46 .00314 .00552 .00884 .00042 -.00243 -.00147
	Fe3c .25 .25 .5 .01 .46 .00314 .00552 .00884 .00042 -.00243 -.00147
	Mn3d .2564 .0836 .5093 .99 .47 .00361 .00568 .00861 -.00007 -.00267 .00155
	Fe3d .2564 .0836 .5093 .01 .47 .00361 .00568 .00861 -.00007 -.00267 .00155
	Mn4a 0 0 .5 .94 .71 .01218 .00731 .00730 0 -.00008 0
	Fe4a 0 0 .5 .06 .71 .01218 .00731 .00730 0 -.00008 0
	Mn4b 0 .3285 .5 .92 .67 .00601 .01147 .00790 0 -.00170 0
	Fe4b 0 .3285 .5 .08 .67 .00601 .01147 .00790 0 -.00170 0
	Sia .3323 0 .2383 .57 .00732 .00784 .00661 0 -.00354 0
	Sib .3327 .3342 .2393 .46 .00473 .00731 .00545 -.00014 -.00106 -.00023
	O1a .3330 0 .0904 .96 .01490 .01360 .00800 0 -.00011 0
	O1b .3327 .3341 .0911 .65 .00794 .00949 .00736 .00095 -.00125 .00045
	O2a .8453 0 .0894 .72 .00600 .01220 .00900 0 -.00033 0
	O2b .8550 .3261 .0955 .67 .00408 .01418 .00716 -.00062 .00171 -.00125
	O2c .0690 .0734 .0948 .70 .01131 .00791 .00731 -.00095 -.00058 -.00093
	O2d .0776 .2510 .0925 .63 .00866 .00723 .00807 .00228 -.00318 .00132
	O2e .0766 .3982 .0915 .72 .01100 .00966 .00656 -.00371 -.00120 -.00269
	O3a .6329 0 .2208 1.11 .02230 .00670 .01320 0 .00140 0
	O3b .6817 .3478 .2383 .88 .00871 .01165 .01302 .00228 -.00332 -.00119
	O4a .2018 0 .2852 1.50 .01070 .02100 .02520 0 .00430 0
	O4b .4634 .3376 .2913 1.00 .00734 .02070 .00993 -.00076 -.00534 .00195
	O4c .3971 .0651 .2891 1.48 .01830 .01350 .02450 -.00235 -.00645 -.00637
	O4d .2708 .2680 .2918 1.12 .01800 .01114 .01360 -.00379 .00346 .00273
	O4e .2633 .3982 .2897 1.10 .01600 .01312 .01260 .00512 .00074 -.00295
	O5a -.0219 0 .2985 .66 .00570 .01050 .00870 0 .00058 0
	O5b .0096 .3213 .2978 .68 .00797 .00888 .00881 .00039 -.00100 -.00018
	O6a .7894 0 .4365 .59 .00880 .00590 .00780 0 -.00334 0
	O6b .8117 .3343 .4475 .49 .00550 .00607 .00706 -.00007 -.00078 .00060
	O6c .1019 .0921 .4487 .56 .00274 .00913 .00939 .00009 -.00091 -.00106
	O6d .0997 .2294 .4472 .66 .00586 .00613 .01325 -.00285 -.00429 -.00023
	O6e .0900 .4300 .4354 .55 .00517 .00876 .00697 -.00028 .00194 -.00161
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	Roggianite
	Giuseppetti G, Mazzi F, Tadini C, Galli E
	Neues Jahrbuch fur Mineralogie, Monatshefte 1991 (1991) 307-314
	The revised crystal structure of roggianite: Ca2[Be(OH)2Al2Si4O13]<2.5H2O
	Locality: Val Vigezzo, Novara, Italy
	_database_code_amcsd 0014856
	18.33 18.33 9.16 90 90 90 I4/mcm
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ca .1769 .1769 .25 .017 .0196 .0196 .0114 -.0070 .0030 -.0030
	Be .2619 .2381 0 .018 .0169 .0169 .0216 -.0009 0 0
	O6 .2935 .2065 .1512 .017 .0181 .01818 .0146 .0044 -.0027 0.0027
	H1 .324 .176 .145 .03
	Al .2177 0 .25 .011 .0142 .0109 .0064 0 0 -.0016
	Si1 .1044 .2810 0 .012 .0140 .01385 .0075 -.0029 0 0
	Si2 .1159 .0408 0 .010 .0122 .0101 .0083 -.0005 0 0
	O1 .1353 .3647 0 .016 .0140 .0140 .0192 -.0062 0 0
	O2 .1641 .0579 .1457 .016 .0226 .0140 .0113 -.0004 .0034 -.0019
	O3 .0579 .2673 .1461 .022 .0288 .0240 .0133 -.0126 .0077 -.0022
	O4 .0451 .0936 0 .021 .0190 .0233 .0201 .0043 0 0
	O5 .1725 .2246 0 .015 .0169 .0149 .0143 -.0034 0 0
	Wat1 .409 .091 .154 .49 .14
	Wat2 .375 .079 0 .27 .13
	Wat3 .445 .055 .264 .41 .22
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	Stillwellite-(Ce)
	Callegari A, Giuseppetti G, Mazzi F, Tadini C
	Neues Jahrbuch fur Mineralogie, Monatshefte 1992 (1992) 49-57
	The refinement of the crystal structure of stillwellite: RE[BSiO5]
	Locality: Bassano Romano, Viterbo, Italy
	_database_code_amcsd 0018728
	6.844 6.844 6.700 90 90 120 P3_1
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ce .5869 -.0018 .8333 .0098 .00568 .00486 .00448 .00345 -.00015 .00012
	B .1159 .0184 .8108 .0101 .00632 .00168 .00694 .00180 .00163 .00105
	Si .5823 -.0026 .3342 .0108 .00929 .00613 .00473 .00636 .00376 .00036
	O1 .3532 .1978 .8600 .0096 .00104 .00342 .00752 -.00046 -.00041 -.00353
	O2 .1893 .3294 .1463 .0153 .00647 .01002 .00571 .00266 -.00014 .00048
	O3 .6140 .4768 .1583 .0132 .00133 .00826 .00792 .00055 -.00126 -.00002
	O4 .4530 .5974 .8340 .0142 .00808 .00869 .00480 .00343 -.00159 -.00062
	O5 .0589 .0571 .6133 .0126 .00904 .00444 .00453 .00193 -.00127 .00051
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	Pseudoboleite
	Giuseppetti G, Mazzi F, Tadini C
	Neues Jahrbuch fur Mineralogie, Monatshefte 1992 (1992) 113-126
	The crystal structure of pseudoboleite: Pb31Cu24Cl62(OH)48;
	its relations with the structures of boleite and cumengeite
	Locality: Boleo, Baja California, Mexico
	_database_code_amcsd 0014859
	15.24 15.24 30.74 90 90 90 I4/mmm
	atom x y z occ Uiso
	Pb1 0 .2750 .2421 .0289
	Pb2 .3042 .3042 .1510 .0261
	Pb3 0 .5 .1351 .0308
	Pb4 .2740 .5 0 .0333
	Pb5a 0 0 .3927 .687 .0281
	Pb5b 0 0 .3706 .313 .0314
	Pb6 .1547 0 0 .476 .0566
	Pb7 0 0 .0837 .468 .0713
	Pb8 0 .5 0 .449 .0541
	Pb9 0 0 .2716 .631 .0527
	Cu1 .2566 .0953 .1267 .0214
	Cu2 .2565 .2565 .0471 .0222
	Cl1 .3781 .1161 .3076 .0309
	Cl2 .3837 .3837 .0592 .0323
	Cl3 .3780 .3780 .4383 .0522
	Cl4 .3579 .3579 .2512 .0410
	Cl5 0 .1736 .3402 .0424
	Cl6 0 .3704 .4341 .0295
	Cl7 .3265 0 0 .0330
	Cl8 0 0 .1739 .0385
	OH1 .1912 .3118 .0943 .0304
	OH2 .3108 .3108 .3460 .0183
	OH3 0 .3306 .1051 .0249
	OH4 0 .2108 .1632 .0233
	OH5 .2099 .3293 0 .0274
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	Nealite
	Giuseppetti G, Mazzi F, Tadini C
	Neues Jahrbuch fur Mineralogie, Monatshefte 1993 (1993) 278-288
	The crystal structure of nealite: Pb4Fe(AsO3)2Cl4*2H2O
	Locality: Laurion, Greece
	_database_code_amcsd 0014867
	6.53 10.23 5.588 96.4 89.5 97.8 P-1
	atom x y z occ Uiso
	Pb1 .7014 .4522 .2462 .0195
	Pb2A .5786 .8177 .3271 .514 .0209
	Pb2B .5570 .8237 .2313 .486 .0244
	Fe 0 0 0 .0199
	As .1940 .3142 .2114 .0193
	O1 .368 .360 .457 .026
	O2 .376 .365 -.015 .024
	O3 .225 .143 .161 .043
	Cl1 .1464 .6313 .2753 .026
	Cl2 .7053 .1267 .1674 .028
	Wat .955 .909 .313 .054
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	Vitusite-(Ce)
	Mazzi F, Ungaretti L
	Neues Jahrbuch fur Mineralogie, Monatshefte 1994 (1994) 49-66
	The crystal structure of vitusite from Ilimaussaq (South Greenland):
	Na3REE(PO4)2
	Locality: Ilimaussaq, South Greenland
	_database_code_amcsd 0014868
	5.3356 18.6722 14.0546 90 90 90 Pc2_1b
	atom x y z occ Uiso
	Na1 .0038 .6405 .6326 .0194
	Na2 .4935 .3617 .1140 .0267
	Na3 .0020 .4580 .5492 .0230
	Na4 .5050 .5386 .2015 .0227
	Na5 -.0022 .2989 .7211 .0364
	Na6 .4703 .6989 .0274 .0402
	Ce1 .0506 .6133 .3837 .55 .0278
	La1 .0506 .6133 .3837 .45 .0278
	Ce2 .4669 .3871 .3658 .55 .0254
	La2 .4669 .3871 .3658 .45 .0254
	P1 -.0093 .4634 .2684 .0127
	P2 .5168 .5348 .4816 .0101
	P3 -.0210 .2913 .4790 .011
	P4 .5281 .7073 .2705 .0125
	O1 -.0057 .5408 .2350 .027
	O2 .5195 .4569 .5162 .019
	O3 .0099 .4644 .3761 .045
	O4 .4856 .5343 .3730 .032
	O5 -.2546 .4277 .2370 .039
	O6 .7608 .5718 .5104 .031
	O7 .2081 .4227 .2244 .019
	O8 .2945 .5749 .5269 .021
	O9 .1086 .3086 .3862 .069
	O10 .3928 .6950 .3633 .065
	O11 .0108 .2113 .4995 .013
	O12 .5150 .7879 .2474 .020
	O13 .0829 .3377 .5593 .078
	O14 .4104 .6632 .1944 .069
	O15 -.2987 .3101 .4685 .029
	O16 .8044 .6868 .2797 .027
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	Gotzenite
	Cannillo E, Mazzi F, Rossi G
	Soviet Physics - Crystallography 16 (1972) 1026-1030
	Crystal structure of gotzenite
	Locality: Mount Shaheru, Republic of Congo
	_database_code_amcsd 0015555
	9.667 5.731 7.334 90 101.05 101.31 P-1
	atom x y z Biso
	Ca1 .6389 .2115 .9097 .07
	Ca2 .9859 .4955 .2418 .57
	Ca3 .6305 .2268 .4075 .17
	Na 0 0 .5 1.21
	Ti 0 0 0 .93
	Si1 .7197 .7475 .6460 .74
	Si2 .7210 .7471 .2100 .27
	O1 .762 .784 .443 2.33
	O2 .619 .927 .673 .02
	O3 .614 .925 .127 1.45
	O4 .636 .472 .665 2.09
	O5 .675 .465 .162 1.09
	O6 .879 .819 .778 1.72
	O7 .881 .830 .171 1.47
	O8 .884 .256 .969 .28
	O9 .890 .313 .475 .53
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	Sarcolite
	Giuseppetti G, Mazzi F, Tadini C
	Tschermaks Mineralogische und Petrographische Mitteilungen 24 (1977) 1-21
	The crystal structure of sarcolite
	Locality: Vesuvius volcano, Bay of Naples, Italy
	_database_code_amcsd 0015662
	12.343 12.343 15.463 90 90 90 I4/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)
	Na1 0 0 .2821 1.30 -.0009 -.0009 .0041 0 0 0
	Na2 0 .5 .25 .76 8.44 .0014 .0014 .0248 0 0 0
	Ca1 .2696 .4008 0 1.06 .0019 .0021 .0007 .0000 0 0
	Ca2 .0763 .2084 .1349 .96 .0017 .0013 .0011 .0000 -.0003 .0000
	Al .3755 .1879 .1423 1.12 .0006 .0011 .0024 .0001 .0001 -.0010
	Si1 .3710 .0102 0 .58 .0012 .0010 .0004 .0004 0 0
	Si2 .2446 .3901 .2017 .56 .0010 .0007 .0007 .0000 .0001 -.0001
	O1 0 .5 0 4.08 .0119 .0015 .0043 -.0031 0 0
	O2 .1040 .3081 0 1.79 .0010 .0058 .0013 .0002 0 0
	O3 .3353 .0715 .0873 1.14 .0024 .0020 .0008 -.0005 .0005 -.0005
	O4 .2222 .4885 .1341 1.29 .0033 .0009 .0014 .0007 .0001 .0000
	O5 .2782 .2913 .1361 1.18 .0023 .0012 .0015 .0004 -.0002 -.0003
	O6 .1651 .0800 .2270 .96 .0013 .0014 .0013 .0000 -.0001 -.0001
	O7 .1303 .3509 .2444 1.16 .0015 .0019 .0015 -.0005 .0000 .0000
	O8 .3946 .2508 0 .72 2.78 .0013 .0028 .0060 .0007 0 0
	O9 .038 .118 0 .125 1.5
	O10 .100 -.074 0 .125 1.5
	O11 -.069 -.022 .080 .125 1.5
	O12 .093 .045 .058 .25 1.5
	O13 .5 .555 .071 .115 1.5
	O14 .539 .539 .071 .115 1.5
	O15 .462 .405 0 .23 1.5
	Si3 0 0 0 .5 .56 .0010 .0010 .0005 0 0 0
	P3 0 0 0 .5 .56 .0010 .0010 .0005 0 0 0
	C .513 .495 0 .23 1.5
	Cl .5 .5 0 .08 1.5
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	Neptunite
	Cannillo E, Mazzi F, Rossi G
	Acta Crystallographica 21 (1966) 200-208
	The crystal structure of neptunite
	Locality: San Benito, California, USA
	_database_code_amcsd 0018847
	16.46 12.50 10.01 90 115.43 90 C2/c
	atom x y z occ Biso
	Fe2+1 .3402 .3211 .0983 .5 1.52
	Ti1 .3402 .3211 .0983 .5 1.52
	Fe2+2 .0883 .0561 .1128 .5 1.52
	Ti2 .0883 .0561 .1128 .5 1.52
	Na .2640 .1983 .3094 2.06
	K 0 .4204 .25 1.72
	Li .5 .4353 .25 4.47
	Si1 .1452 .4060 .0566 .8
	Si2 .5233 .2280 .0855 .8
	Si3 .7698 .4741 .1083 .8
	Si4 .8942 .1491 .0816 .8
	O1 .9538 .0446 .0688 1.44
	O2 .4549 .3253 .0666 1.44
	O3 .1099 .1673 .2664 1.44
	O4 .3723 .4387 .2348 1.44
	O5 .2050 .0796 .0888 1.44
	O6 .7122 .3677 .0427 1.44
	O7 .2088 .3077 .0707 1.44
	O8 .8339 .4919 .0239 1.44
	O9 .1592 .4505 .2148 1.44
	O10 .3975 .2104 .2541 1.44
	O11 .4613 .1173 .0239 1.44
	O12 .9291 .2562 .0316 1.44
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