Montebrasite
	Groat L A, Raudsepp M, Hawthorne F C, Ercit T S, Sherriff B L, Hartman J S
	American Mineralogist 75 (1990) 992-1008
	The amblygonite-montebrasite series: Characterization by single-crystal
	structure refinement, infrared spectroscopy and multinuclear MAS-NMR
	spectroscopy
	sample AF-47
	_database_code_amcsd 0001320
	6.713 7.708 7.0194 91.31 117.93 91.77 C-1
	atom x y z Uiso
	P -.01605 .34212 .26653 .0041
	Al1 0 0 0 .0048
	Al2 0 0 .5 .0046
	O1 -.3172 .0154 -.1592 .0066
	O2 .2981 .0581 .5743 .0065
	O3 .1013 -.2234 -.3897 .0063
	O4 .0265 .2362 .1035 .0076
	Oh .0471 .0890 -.2265 .0059
	Li .0696 -.3202 .3101 .0172
	H .183 .129 .848 .0100
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	Montebrasite
	Groat L A, Raudsepp M, Hawthorne F C, Ercit T S, Sherriff B L, Hartman J S
	American Mineralogist 75 (1990) 992-1008
	The amblygonite-montebrasite series: Characterization by single-crystal
	structure refinement, infrared spectroscopy and multinuclear MAS-NMR
	spectroscopy
	sample AF-43
	_database_code_amcsd 0001321
	6.713 7.711 7.0102 91.22 117.91 91.67 C-1
	atom x y z occ Uiso
	P -.01576 .34196 .26542 .0052
	Al1 0 0 0 .0058
	Al2 0 0 .5 .0056
	O1 -.3172 .0156 -.1579 .0080
	O2 .2983 .0584 .5758 .0079
	O3 .1010 -.2236 -.3895 .0075
	O4 .0266 .2357 .1026 .0086
	Oh .0442 .0882 -.2278 .911 .0079
	F .0442 .0882 -.2278 .089 .0079
	Li1 .06 -.318 .285 .5 .0118
	Li2 .08 -.322 .331 .5 .0118
	H .178 .132 .850 .911 .0100
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	Montebrasite
	Groat L A, Raudsepp M, Hawthorne F C, Ercit T S, Sherriff B L, Hartman J S
	American Mineralogist 75 (1990) 992-1008
	The amblygonite-montebrasite series: Characterization by single-crystal
	structure refinement, infrared spectroscopy and multinuclear MAS-NMR
	spectroscopy
	sample A-2
	_database_code_amcsd 0001322
	6.6984 7.710 6.983 91.06 117.81 91.49 C-1
	atom x y z occ Uiso
	P -.01538 .34136 .26351 .0054
	Al1 0 0 0 .0058
	Al2 0 0 .5 .0055
	O1 -.3169 .0159 -.1551 .0084
	O2 .2980 .0589 .5783 .0087
	O3 .1004 -.2227 -.3879 .0079
	O4 .0258 .2346 .0998 .0094
	Oh .0391 .0871 -.2306 .706 .0088
	F .0391 .0871 -.2306 .294 .0088
	Li1 .05 -.33 .28 .5 .0222
	Li2 .08 -.31 .32 .5 .0222
	H .190 .129 .832 .706 .0100
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	Montebrasite
	Groat L A, Raudsepp M, Hawthorne F C, Ercit T S, Sherriff B L, Hartman J S
	American Mineralogist 75 (1990) 992-1008
	The amblygonite-montebrasite series: Characterization by single-crystal
	structure refinement, infrared spectroscopy and multinuclear MAS-NMR
	spectroscopy
	sample A-1
	_database_code_amcsd 0001323
	6.6837 7.7080 6.9671 90.94 117.75 91.36 C-1
	atom x y z occ Uiso
	P -.01496 .34095 .26173 .0059
	Al1 0 0 0 .0060
	Al2 0 0 .5 .0058
	O1 -.3163 .0161 -.1523 .0087
	O2 .2981 .0594 .5809 .0090
	O3 .1001 -.2224 -.3868 .0080
	O4 .0259 .2340 .0980 .0102
	OH .0346 .0859 -.2329 .567 .0093
	F .0346 .0859 -.2329 .433 .0093
	Li1 .08 -.32 .28 .5 .0277
	Li2 .05 -.32 .31 .5 .0277
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	Montebrasite
	Groat L A, Raudsepp M, Hawthorne F C, Ercit T S, Sherriff B L, Hartman J S
	American Mineralogist 75 (1990) 992-1008
	The amblygonite-montebrasite series: Characterization by single-crystal
	structure refinement, infrared spectroscopy and multinuclear MAS-NMR
	spectroscopy
	sample AF-46
	_database_code_amcsd 0001324
	6.6782 7.7159 6.949 90.82 117.66 91.22 C-1
	atom x y z occ Uiso
	P -.01457 .34047 .26018 .0057
	Al1 0 0 0 .0060
	Al2 0 0 .5 .0057
	O1 -.3160 .0166 -.1500 .0086
	O2 .2984 .0597 .5829 .0090
	O3 .0998 -.2222 -.3860 .0081
	O4 .0260 .2332 .0964 .0101
	OH .0304 .0850 -.2352 .5 .0092
	F .0304 .0850 -.2352 .5 .0092
	Li1 .05 -.315 .263 .5 .0251
	Li2 .061 -.329 .310 .5 .0251
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	Montebrasite
	Groat L A, Raudsepp M, Hawthorne F C, Ercit T S, Sherriff B L, Hartman J S
	American Mineralogist 75 (1990) 992-1008
	The amblygonite-montebrasite series: Characterization by single-crystal
	structure refinement, infrared spectroscopy and multinuclear MAS-NMR
	spectroscopy
	sample M6116
	_database_code_amcsd 0001325
	6.644 7.744 6.910 90.35 117.33 91.01 C-1
	atom x y z occ Uiso
	P -.01308 .3319 .25580 .0054
	Al1 0 0 0 .0056
	Al2 0 0 .5 .0055
	O1 -.3148 .0192 -.1426 .0084
	O2 .2987 .0609 .5884 .0087
	O3 .0995 -.2209 -.3830 .0076
	O4 .0290 .2320 .0925 .0097
	F .0191 .0824 -.2413 .0098
	Li1 .050 -.320 .2403 .5 .0201
	Li2 .0654 -.3239 .3070 .5 .0201
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	Amblygonite
	Groat L A, Raudsepp M, Hawthorne F C, Ercit T S, Sherriff B L, Hartman J S
	American Mineralogist 75 (1990) 992-1008
	The amblygonite-montebrasite series: Characterization by single-crystal
	structure refinement, infrared spectroscopy and multinuclear MAS-NMR
	spectroscopy
	sample AF-65
	_database_code_amcsd 0001326
	6.6452 7.733 6.9193 90.35 117.44 91.20 C-1
	atom x y z occ Uiso
	P -.01328 .33910 .25586 .0056
	Al1 0 0 0 .0061
	Al2 0 0 .5 .0057
	O1 -.3152 .0188 -.1425 .0087
	O2 .2988 .0606 .5882 .0090
	O3 .0995 -.2210 -.3827 .0082
	O4 .0285 .2317 .0924 .0097
	F .0194 .0828 -.2410 .881 .0102
	OH .0194 .0828 -.2410 .119 .0102
	Li1 .0376 -.3230 .242 .5 .0197
	Li2 .051 -.324 .301 .5 .0197
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	Titanite
	Hawthorne F C, Groat L A, Raudsepp M, Ball N A, Kimata M, Spike F D, Gaba R,
	Halden N M, Lumpkin G R, Ewing R C, Greegor R B, Lytle F W, Ercit T S,
	Rossman G R, Wicks F J, Ramik R A, Sherriff B L, Fleet M E, McCammon C A
	American Mineralogist 76 (1991) 370-396
	Alpha-decay damage in titanite
	sample M28658 natural from Maevatanana, Malagasy Republic
	_database_code_amcsd 0001353
	6.549 8.695 7.060 90 113.87 90 C2/c
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ca 0 .1677 .75 .0072 .0071 .0254 0 -.0005 0
	Ti 0 .5 0 .0047 .0081 .0178 -.0002 .0017 .0045
	Si 0 .1828 .25 .0042 .0059 .0070 0 .0019 0
	O1 0 .5714 .25 .0118 .0083 .0082 0 .0055 0
	O2 .1855 .0663 .4102 .0057 .0090 .0110 .0007 .0020 .0017
	O3 .1025 .2893 .1185 .0068 .0088 .0098 .0001 .0037 .0008
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	Titanite
	Hawthorne F C, Groat L A, Raudsepp M, Ball N A, Kimata M, Spike F D, Gaba R,
	Halden N M, Lumpkin G R, Ewing R C, Greegor R B, Lytle F W, Ercit T S,
	Rossman G R, Wicks F J, Ramik R A, Sherriff B L, Fleet M E, McCammon C A
	American Mineralogist 76 (1991) 370-396
	Alpha-decay damage in titanite
	sample M28658 annealed at 1090 C, from Maevatanana, Malagasy Republic
	_database_code_amcsd 0001354
	6.539 8.692 7.037 90 113.79 90 C2/c
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ca 0 .1681 .75 .0070 .0055 .0233 0 -.0010 0
	Ti 0 .5 0 .0048 .0059 .0145 .0001 .0018 .0047
	Si 0 .1830 .25 .0046 .0034 .0055 0 .0017 0
	O1 0 .5706 .25 .0145 .0071 .0058 0 .0056 0
	O2 .1854 .0666 .4107 .0065 .0071 .0099 .0005 .0015 .0010
	O3 .1024 .2896 .1177 .0064 .0064 .0074 .0022 .0031 .0033
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	Titanite
	Hawthorne F C, Groat L A, Raudsepp M, Ball N A, Kimata M, Spike F D, Gaba R,
	Halden N M, Lumpkin G R, Ewing R C, Greegor R B, Lytle F W, Ercit T S,
	Rossman G R, Wicks F J, Ramik R A, Sherriff B L, Fleet M E, McCammon C A
	American Mineralogist 76 (1991) 370-396
	Alpha-decay damage in titanite
	sample E2312 natural, from Sebastapol Twp., Ontario
	_database_code_amcsd 0001355
	6.554 8.708 7.069 90 113.93 90 C2/c
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ca 0 .1675 .75 .0090 .0072 .0309 0 -.0013 0
	Ti 0 .5 0 .0072 .0087 .0174 .0041 .0025 .0000
	Si 0 .1830 .25 .0065 .0064 .0078 0 .0025 0
	O1 0 .5719 .25 .0127 .0081 .0087 0 .0047 0
	O2 .1855 .0665 .4104 .0082 .0107 .0126 .0018 .0015 .0006
	O3 .1027 .2897 .1186 .0098 .0093 .0128 .0018 .0052 .0009
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	Titanite
	Hawthorne F C, Groat L A, Raudsepp M, Ball N A, Kimata M, Spike F D, Gaba R,
	Halden N M, Lumpkin G R, Ewing R C, Greegor R B, Lytle F W, Ercit T S,
	Rossman G R, Wicks F J, Ramik R A, Sherriff B L, Fleet M E, McCammon C A
	American Mineralogist 76 (1991) 370-396
	Alpha-decay damage in titanite
	sample E2312 annealed at 1090 C, from Sebastapol Twp., Ontario
	_database_code_amcsd 0001356
	6.547 8.695 7.059 90 113.94 90 C2/c
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ca 0 .1673 .75 .0076 .0061 .0269 0 -.0005 0
	Ti 0 .5 0 .0047 .0064 .0152 .0044 .0021 -.0001
	Si 0 .1832 .25 .0052 .0050 .0069 0 .0024 0
	O1 0 .5717 .25 .0102 .0056 .0072 0 .0049 0
	O2 .1857 .0665 .4108 .0070 .0071 .0112 .0012 .0024 .0005
	O3 .1030 .2896 .1188 .0076 .0065 .0094 .0015 .0039 .0008
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	Titanite
	Hawthorne F C, Groat L A, Raudsepp M, Ball N A, Kimata M, Spike F D, Gaba R,
	Halden N M, Lumpkin G R, Ewing R C, Greegor R B, Lytle F W, Ercit T S,
	Rossman G R, Wicks F J, Ramik R A, Sherriff B L, Fleet M E, McCammon C A
	American Mineralogist 76 (1991) 370-396
	Alpha-decay damage in titanite
	sample M28173 natural, from Gjerstad, Norway
	_database_code_amcsd 0001357
	6.564 8.719 7.057 90 113.79 90 C2/c
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ca 0 .1686 .75 .0105 .0086 .0336 0 -.0022 0
	Ti 0 .5 0 .0105 .0123 .0200 .0036 .0036 .0004
	Si 0 .1827 .25 .0094 .0084 .0102 0 .0036 0
	O1 0 .5717 .25 .0163 .0124 .0138 0 .0057 0
	O2 .1851 .0660 .4103 .0117 .0149 .0170 .0019 .0024 -.0004
	O3 .1033 .2895 .1188 .0130 .0130 .0169 .0022 .0060 .0016
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	Titanite
	Hawthorne F C, Groat L A, Raudsepp M, Ball N A, Kimata M, Spike F D, Gaba R,
	Halden N M, Lumpkin G R, Ewing R C, Greegor R B, Lytle F W, Ercit T S,
	Rossman G R, Wicks F J, Ramik R A, Sherriff B L, Fleet M E, McCammon C A
	American Mineralogist 76 (1991) 370-396
	Alpha-decay damage in titanite
	sample M28173 annealed at 1090 C, from Gjerstad, Norway
	_database_code_amcsd 0001358
	6.538 8.699 7.044 90 113.76 90 C2/c
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ca 0 .1678 .75 .0061 .0058 .0240 0 -.0018 0
	Ti 0 .5 0 .0055 .0076 .0134 .0036 .0018 -.0001
	Si 0 .1828 .25 .0060 .0058 .0071 0 .0022 0
	O1 0 .5727 .25 .0111 .0089 .0065 0 .0035 0
	O2 .1850 .0658 .4113 .0084 .0105 .0170 .0021 .0025 .0011
	O3 .1035 .2892 .1187 .0104 .0084 .0169 .0027 .0059 .0010
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	Titanite
	Hawthorne F C, Groat L A, Raudsepp M, Ball N A, Kimata M, Spike F D, Gaba R,
	Halden N M, Lumpkin G R, Ewing R C, Greegor R B, Lytle F W, Ercit T S,
	Rossman G R, Wicks F J, Ramik R A, Sherriff B L, Fleet M E, McCammon C A
	American Mineralogist 76 (1991) 370-396
	Alpha-decay damage in titanite
	sample from Cardiff U Mine, Ontario, natural
	_database_code_amcsd 0001359
	6.607 8.775 7.110 90 114.08 90 C2/c
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ca 0 .1687 .75 .0173 .0165 .0566 0 -.0041 0
	Ti 0 .5 0 .0202 .0245 .0405 .0049 .0056 .0015
	Si 0 .1835 .25 .0171 .0190 .0241 0 .0049 0
	O1 0 .5709 .25 .0227 .0218 .0283 0 .0061 0
	O2 .1859 .0664 .4094 .0217 .0274 .0316 .0026 .0039 -.0007
	O3 .1019 .2904 .1194 .0198 .0257 .0322 .0031 .0079 .0033
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	Titanite
	Hawthorne F C, Groat L A, Raudsepp M, Ball N A, Kimata M, Spike F D, Gaba R,
	Halden N M, Lumpkin G R, Ewing R C, Greegor R B, Lytle F W, Ercit T S,
	Rossman G R, Wicks F J, Ramik R A, Sherriff B L, Fleet M E, McCammon C A
	American Mineralogist 76 (1991) 370-396
	Alpha-decay damage in titanite
	sample from Cardiff U Mine, Ontario, annealed at 1090 C
	_database_code_amcsd 0001360
	6.530 8.677 7.048 90 113.91 90 C2/c
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ca 0 .1669 .75 .0016 .0001 .0194 0 -.0033 0
	Ti 0 .5 0 .0039 .0053 .0144 -.0001 .0018 .0049
	Si 0 .1835 .25 .0023 .0010 .0024 0 .0016 0
	O1 0 .5725 .25 .0070 .0018 .0001 0 .0000 0
	O2 .1877 .0668 .4115 .0007 .0054 .0065 -.0009 .0000 .0010
	O3 .1034 .2904 .1186 .0032 .0019 .0059 .0012 .0023 .0015
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	Povondraite
	Grice J D, Ercit T S, Hawthorne F C
	American Mineralogist 78 (1993) 433-436
	Povondraite, a redefinition of the tourmaline ferridravite
	Note: Atomic parameters updated by Grice on 11/20/2001
	Locality: San Francisco mine, Villa Tunari, Bolivia
	_database_code_amcsd 0001555
	16.186 16.186 7.444 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)
	NaX 0 0 .2277 .80 .023 .0171 .0171 .0340 .00855 0 0
	KX 0 0 .2277 .20 .023 .0171 .0171 .0340 .00855 0 0
	FeY .1224 .0612 .6429 .85 .0065 .0044 .0036 .0118 .0022 -.0009 -.0005
	MgY .1224 .0612 .6429 .15 .0065 .0044 .0036 .0118 .0022 -.0009 -.0005
	FeZ .2987 .2627 .6124 .72 .0058 .0041 .0041 .0091 .0021 .0005 .0009
	MgZ .2987 .2627 .6124 .23 .0058 .0041 .0041 .0091 .0021 .0005 .0009
	AlZ .2987 .2627 .6124 .05 .0058 .0041 .0041 .0091 .0021 .0005 .0009
	SiT .1892 .1876 0 .006 .0056 .0043 .0097 .0028 -.0010 -.0010
	B .1097 .2194 .4558 .0095 .0118 .0046 .0078 .0023 .0003 .0006
	O1 0 0 .7718 .88 .007 .0077 .0077 .0077 .00385 0 0
	OH1 0 0 .7718 .12 .007 .0077 .0077 .0077 .00385 0 0
	O2 .0610 .1220 .4905 .010 .0101 .0041 .0130 .0020 .0009 .0018
	O3 .2578 .1289 .5123 .009 .0122 .0077 .0088 .0061 -.0026 -.0013
	O4 .0924 .1848 .0692 .011 .0082 .0156 .0126 .0078 -.0058 -.0029
	O5 .1826 .0913 .0866 .010 .0102 .0040 .0183 .0051 .0005 .0002
	O6 .1922 .1829 .7838 .008 .0114 .0069 .0083 .0057 -.0004 -.0016
	O7 .2811 .2813 .0754 .010 .0086 .0068 .0119 .0020 -.0002 -.0009
	O8 .2070 .2679 .4420 .010 .0053 .0097 .0175 .0045 .0038 .0055
	H3 .2411 .1205 .4027 .02
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	Bobfergusonite
	Ercit T S, Hawthorne F C, Cerny P
	The Canadian Mineralogist 24 (1986) 605-614
	The crystal structure of bobfergusonite.
	_database_code_amcsd 0005212
	12.776 12.488 11.035 90 97.2 90 P2_1/n
	atom x y z occ Uiso
	MnM1 .13194 .23856 -.00190 .92 .0138
	MnM2 .62989 .23753 -.00107 .91 .0137
	MnM3 .29562 .14643 .72421 .82 .0113
	FeM3 .29562 .14643 .72421 .06 .0113
	AlM3 .29562 .14643 .72421 .12 .0113
	MnM4 .79574 .14588 .72617 .82 .0125
	FeM4 .79574 .14588 .72617 .06 .0125
	AlM4 .79574 .14588 .72617 .12 .0125
	FeM5 .46125 .16153 .27999 .48 .0108
	AlM5 .46125 .16153 .27999 .34 .0108
	FeM5 .46125 .16153 .27999 .04 .0108
	MgM5 .46125 .16153 .27999 .09 .0108
	ZnM5 .46125 .16153 .27999 .05 .0108
	AlM6 .96067 .16220 .27950 .80 .0098
	FeM6 .96067 .16220 .27950 .20 .0098
	MnX1 .24944 .00103 -.00188 .81 .0280
	CaX1 .24944 .00103 -.00188 .19 .0280
	NaX2 0 0 0 .85 .0309
	NaX3 .5 0 0 .81 .0307
	NaX4 .3734 .0169 .4972 .59 .0444
	NaX5 .8738 .0166 .5004 .58 .0377
	P1 .3816 .2183 .0033 .0102
	P2 .8826 .2152 .0067 .0105
	P3 .2013 .1141 .2578 .0105
	P4 .7041 .1134 .2598 .0109
	P5 .0597 .0957 .7384 .0118
	P6 .5588 .1000 .7400 .0122
	O1 .2980 .2105 .5460 .0152
	O2 .7979 .2081 .5458 .0159
	O3 .4655 .2182 .4503 .0163
	O4 .9637 .2141 .4457 .0129
	O5 .3290 .3698 .4182 .0225
	O6 .8267 .3666 .4151 .0215
	O7 .4426 .3508 .6102 .0227
	O8 .9444 .3475 .6048 .0243
	O9 .1125 .1720 .3151 .0153
	O10 .6180 .1743 .3182 .0172
	O11 .1343 .1522 .6592 .0226
	O12 .6357 .1544 .6613 .0227
	O13 .1098 .4102 .3729 .0182
	O14 .6116 .4133 .3713 .0195
	O15 .1714 .4022 .6215 .0142
	O16 .6709 .4005 .6197 .0156
	O17 .3011 .1851 .2765 .0171
	O18 .8056 .1819 .2753 .0161
	O19 .4591 .1710 .7370 .0165
	O20 .9596 .1642 .7351 .0101
	O21 .2776 .5080 .1785 .0279
	O22 .7773 .5072 .1757 .0264
	O23 .4651 .4846 .8149 .0208
	O24 .9717 .4900 .8150 .0247
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	Moydite-(Y)
	Grice J D, Ercit T S
	The Canadian Mineralogist 24 (1986) 675-678
	The crystal structure of moydite
	_database_code_amcsd 0005214
	9.089 12.244 8.926 90 90 90 Pbca
	atom x y z occ Uiso
	Y .0146 .4991 .2272 .9 .0083
	Sm .0146 .4991 .2272 .1 .0083
	B .0032 .2490 .2415 .0149
	C .2622 .5454 .0268 .0113
	O1 -.2792 .4688 -.1692 .0132
	O2 -.1267 .4550 .0164 .0166
	O3 .3680 .5565 -.0617 .0202
	OH4 .1019 .3172 .1534 .0155
	OH5 -.0944 .3256 .3258 .0159
	OH6 .0879 .1796 .3505 .0176
	OH7 -.0844 .1700 .1538 .0165
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	Poudretteite
	Grice J D, Ercit T S, Van Velthuizen J, Dunn P J
	The Canadian Mineralogist 25 (1987) 763-766
	Poudretteite, KNa2B3Si12O30, a new member of the osumilite group from
	Mont Saint-Hilaire, Quebec, and its crystal structure
	Locality: Mont Saint-Hilaire, Quebec, Canada
	_database_code_amcsd 0005217
	10.253 10.253 13.503 90 90 120 P6/mcc
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	K 0 0 .25 .0164 .0164 .0205 .0082 0 0
	Na 1/3 2/3 .25 .0105 .0105 .0235 .0052 0 0
	B 0 .5 .25 .0093 .0081 .0070 .0047 0 0
	Si .06952 .33761 .11333 .0062 .0074 .0060 .0036 .0002 -.0006
	O1 .0821 .3921 0 .0225 .0156 .0054 .0103 0 0
	O2 .1892 .2820 .1333 .0110 .0156 .0165 .0091 -.0017 -.0033
	O3 .1004 .4710 .1873 .0097 .0104 .0077 .0051 .0012 -.0029
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	Foordite
	Ercit T S, Cerny P
	The Canadian Mineralogist 26 (1988) 899-903
	The crystal structure of foordite
	_database_code_amcsd 0005219
	17.093 4.877 5.558 90 90.85 90 C2/c
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Sn 0 .24046 .25 .0197 .0235 .0251 0 .0013 0
	Nb .33007 .25807 .32770 .0130 .0144 .0150 .0001 -.0008 -.0001
	O1 .4269 .4201 .4013 .0138 .0197 .0250 -.0022 -.0020 .0005
	O2 .3574 .0419 .0692 .0171 .0197 .0212 .0013 .0003 -.0022
	O3 .2192 .0632 .3527 .0152 .0160 .0168 -.0012 .0001 -.0019
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	Nalipoite
	Ercit T S
	The Canadian Mineralogist 29 (1991) 569-573
	The crystal structure of nalipoite
	_database_code_amcsd 0005274
	6.884 9.976 4.927 90 90 90 Pmnb
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Na 1/4 .8857 .7636 .0103 .0249 .0223 0 0 -.0079
	Li .5002 .6541 .7915 .0121 .0163 .0141 -.0003 -.0011 -.0007
	P 1/4 .09802 .20247 .0061 .0081 .0072 0 0 .0005
	O1 1/4 .1198 .8911 .0107 .0151 .0076 0 0 .0005
	O2 .0668 .1623 .3243 .0076 .0114 .0110 .0017 .0012 .0003
	O3 1/4 .9454 .2578 .0117 .0079 .0140 0 0 .0009
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	Wodginite
	Ercit T S, Hawthorne F C, Cerny P
	The Canadian Mineralogist 30 (1992) 597-611
	The wodginite group. I. Structural crystallography
	Sample: CX-1, partially ordered
	_database_code_amcsd 0005276
	9.500 11.465 5.139 90 90.51 90 C2/c
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	LiA 0 .6637 .25 .06 .0247 .0219 .0261 0 .0038 0
	MnA 0 .6637 .25 .47 .0247 .0219 .0261 0 .0038 0
	FeA 0 .6637 .25 .16 .0247 .0219 .0261 0 .0038 0
	SnA 0 .6637 .25 .07 .0247 .0219 .0261 0 .0038 0
	NbA 0 .6637 .25 .04 .0247 .0219 .0261 0 .0038 0
	TaA 0 .6637 .25 .20 .0247 .0219 .0261 0 .0038 0
	LiB 0 .1681 .25 .01 .0240 .0232 .0220 0 .0041 0
	MnB 0 .1681 .25 .07 .0240 .0232 .0220 0 .0041 0
	FeB 0 .1681 .25 .16 .0240 .0232 .0220 0 .0041 0
	SnB 0 .1681 .25 .30 .0240 .0232 .0220 0 .0041 0
	ZrB 0 .1681 .25 .05 .0240 .0232 .0220 0 .0041 0
	NbB 0 .1681 .25 .03 .0240 .0232 .0220 0 .0041 0
	TaB 0 .1681 .25 .38 .0240 .0232 .0220 0 .0041 0
	LiC .2493 .4146 .2497 .01 .0240 .0226 .0195 -.0007 .0040 .0001
	MnC .2493 .4146 .2497 .07 .0240 .0226 .0195 -.0007 .0040 .0001
	FeC .2493 .4146 .2497 .04 .0240 .0226 .0195 -.0007 .0040 .0001
	SnC .2493 .4146 .2497 .05 .0240 .0226 .0195 -.0007 .0040 .0001
	ZrC .2493 .4146 .2497 .01 .0240 .0226 .0195 -.0007 .0040 .0001
	NbC .2493 .4146 .2497 .14 .0240 .0226 .0195 -.0007 .0040 .0001
	TaC .2493 .4146 .2497 .68 .0240 .0226 .0195 -.0007 .0040 .0001
	O1 .137 .056 .075 .0542 .0299 .0360 -.0011 .0274 -.0050
	O2 .140 .444 .574 .0350 .0282 .0260 .0078 -.0083 -.0124
	O3 .116 .304 .097 .0241 .0225 .0285 .0104 -.0020 -.0033
	O4 .114 .186 .585 .0297 .0337 .0361 .0026 .0025 -.0079
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	Wodginite
	Ercit T S, Hawthorne F C, Cerny P
	The Canadian Mineralogist 30 (1992) 597-611
	The wodginite group. I. Structural crystallography
	Sample: A-17, ferroan
	_database_code_amcsd 0005277
	9.460 11.421 5.119 90 90.40 90 C2/c
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	LiA 0 .6634 .25 .01 .0179 .0202 .0197 0 .0004 0
	MnA 0 .6634 .25 .41 .0179 .0202 .0197 0 .0004 0
	FeA 0 .6634 .25 .33 .0179 .0202 .0197 0 .0004 0
	SnA 0 .6634 .25 .04 .0179 .0202 .0197 0 .0004 0
	TiA 0 .6634 .25 .02 .0179 .0202 .0197 0 .0004 0
	NbA 0 .6634 .25 .03 .0179 .0202 .0197 0 .0004 0
	TaA 0 .6634 .25 .16 .0179 .0202 .0197 0 .0004 0
	MnB 0 .1680 .25 .05 .0157 .0161 .0172 0 .0008 0
	FeB 0 .1680 .25 .14 .0157 .0161 .0172 0 .0008 0
	SnB 0 .1680 .25 .33 .0157 .0161 .0172 0 .0008 0
	TiB 0 .1680 .25 .14 .0157 .0161 .0172 0 .0008 0
	NbB 0 .1680 .25 .03 .0157 .0161 .0172 0 .0008 0
	TaB 0 .1680 .25 .31 .0157 .0161 .0172 0 .0008 0
	MnC .2488 .4143 .2493 .04 .0192 .0200 .0201 -.0005 .0002 0
	FeC .2488 .4143 .2493 .05 .0192 .0200 .0201 -.0005 .0002 0
	SnC .2488 .4143 .2493 .04 .0192 .0200 .0201 -.0005 .0002 0
	TiC .2488 .4143 .2493 .02 .0192 .0200 .0201 -.0005 .0002 0
	NbC .2488 .4143 .2493 .16 .0192 .0200 .0201 -.0005 .0002 0
	TaC .2488 .4143 .2493 .69 .0192 .0200 .0201 -.0005 .0002 0
	O1 .133 .056 .082 .0293 .0250 .0287 -.0029 .0031 .0053
	O2 .143 .446 .571 .0271 .0249 .0225 .0031 -.0066 -.0026
	O3 .120 .305 .098 .0285 .0189 .0273 .0022 -.0028 -.0024
	O4 .115 .185 .583 .0220 .0254 .0301 .0047 0 -.0004
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	Wodginite
	Ercit T S, Hawthorne F C, Cerny P
	The Canadian Mineralogist 30 (1992) 597-611
	The wodginite group. I. Structural crystallography
	Sample: A-17h, ferroan
	Note: heated
	_database_code_amcsd 0005278
	9.450 11.442 5.083 90 91.045 90 C2/c
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	LiA 0 .6601 .25 .01 .0176 .0193 .0247 0 .0010 0
	MnA 0 .6601 .25 .54 .0176 .0193 .0247 0 .0010 0
	FeA 0 .6601 .25 .42 .0176 .0193 .0247 0 .0010 0
	TaA 0 .6601 .25 .01 .0176 .0193 .0247 0 .0010 0
	FeB 0 .1687 .25 .14 .0114 .0112 .0187 0 .0012 0
	SnB 0 .1687 .25 .43 .0114 .0112 .0187 0 .0012 0
	TiB 0 .1687 .25 .19 .0114 .0112 .0187 0 .0012 0
	TaB 0 .1687 .25 .24 .0114 .0112 .0187 0 .0012 0
	NbC .2488 .4133 .2480 .19 .0181 .0181 .0239 -.0005 .0002 .0001
	TaC .2488 .4133 .2480 .81 .0181 .0181 .0239 -.0005 .0002 .0001
	O1 .135 .058 .080 .0263 .0189 .0394 -.0019 .0076 .0017
	O2 .146 .449 .563 .0233 .0199 .0280 .0025 .0002 -.0013
	O3 .121 .304 .105 .0241 .0146 .0278 -.0013 .0030 -.0011
	O4 .114 .184 .584 .0239 .0222 .0262 .0039 .0036 -.0039
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	Lithiowodginite
	Ercit T S, Hawthorne F C, Cerny P
	The Canadian Mineralogist 30 (1992) 597-611
	The wodginite group. I. Structural crystallography
	Sample: TSE-76
	_database_code_amcsd 0005279
	9.4536 11.4977 5.0775 90 90.51 90 C2/c
	atom x y z occ Biso
	LiA 0 .662 .25 .55 1.0
	MnA 0 .662 .25 .45 1.0
	FeB 0 .1699 .25 .01 1.0
	SnB 0 .1699 .25 .21 1.0
	TaB 0 .1699 .25 .78 1.0
	NbC .2451 .4122 .248 .13 1.0
	TaC .2451 .4122 .248 .87 1.0
	O1 .147 .062 .090 1.0
	O2 .131 .456 .543 1.0
	O3 .116 .322 .074 1.0
	O4 .119 .180 .584 1.0
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	Alumotantite
	Ercit T S, Hawthorne F C, Cerny P
	The Canadian Mineralogist 30 (1992) 653-662
	The crystal structure of alumotantite: Its relation to
	the structures of simpsonite and the (Al,Ga)(Ta,Nb)O4 compounds
	_database_code_amcsd 0005280
	4.473 11.308 4.775 90 90 90 Pbcn
	atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Ta 0 .16817 .25 .0062 .0004 .0055 0 -.0002 0
	Al 0 .4346 .25 .44
	O1 .222 .312 .086 .0045 .0013 .0063 -.0008 -.0003 -.0002
	O2 .266 .058 .073 .0132 .0002 .0090 .0000 -.0098 .0000
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	Simpsonite
	Ercit T S, Cerny P, Hawthorne F C
	The Canadian Mineralogist 30 (1992) 663-671
	The crystal chemistry of simpsonite
	_database_code_amcsd 0005281
	7.381 7.381 4.516 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)
	Ta .1118 .3910 0 .0085 .0088 .0119 .0042 .0009 .0003
	Al1 .423 .303 .496 .0120 .0149 .0139 .0059 .0014 .0007
	Al2 0 0 .499 .0087 .0087 .0159 0 0 0
	O1 .246 .062 .730 .0077 .0125 .0148 -.0002 .0020 .0007
	O2 .392 .472 .777 .0261 .0464 .0154 .0295 -.0055 -.0070
	O3 .192 .238 .274 .0231 .0146 .0111 .0102 -.0067 -.0024
	O4 .482 .111 .265 .0112 .0239 .0210 -.0003 .0063 .0046
	O5 1/3 2/3 .194 .0095 .0095 .0053 .0048 0 0
	OH6 2/3 1/3 .691 .0354 .0354 .0098 0 0 .0177
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	Vesuvianite
	Groat L A, Hawthorne F C, Ercit T S
	The Canadian Mineralogist 30 (1992) 1065-1075
	The role of fluorine in vesuvianite: A crystal-structure study
	Sample: V12
	_database_code_amcsd 0005282
	15.522 15.522 11.802 90 90 90 *P4/nnc
	.25 .25 .25
	atom x y z occ Uiso
	SiZ1 .75 .25 0 .0060
	SiZ2 -.18089 .04110 .87099 .0062
	SiZ3 -.08314 -.15084 .36482 .0072
	CaX1 .75 .25 .25 .0076
	CaX2 -.18919 .04379 .37990 .0079
	CaX3 -.10132 -.18123 .88698 .0169
	CaX4 .75 .75 .14934 .0099
	AlY1A .75 .75 .0358 .81 .0109
	MgY1A .75 .75 .0358 .08 .0109
	FeY1A .75 .75 .0358 .09 .0109
	TiY1A .75 .75 .0358 .02 .0109
	AlY2 0 0 0 .81 .0072
	MgY2 0 0 0 .08 .0072
	FeY2 0 0 0 .09 .0072
	TiY2 0 0 0 .02 .0072
	AlY3 -.11203 .12089 .12640 .81 .0067
	MgY3 -.11203 .12089 .12640 .08 .0067
	FeY3 -.11203 .12089 .12640 .09 .0067
	TiY3 -.11203 .12089 .12640 .02 .0067
	O1 -.21915 .17269 .08546 .0082
	O2 -.11732 .15964 .27828 .0089
	O3 -.04911 .22149 .07643 .0083
	O4 -.06227 .10658 .47022 .0084
	O5 -.17019 .01500 .17833 .0099
	O6 .88108 -.27075 .06013 .0132
	O7 .05579 .17308 .32192 .0115
	O8 -.06098 -.09101 .06618 .0088
	O9 -.14454 -.14454 .25 .0102
	O10A .75 .75 .8661 .0151
	OH -.00480 .06155 .13637 .0095
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	Vesuvianite
	Groat L A, Hawthorne F C, Ercit T S
	The Canadian Mineralogist 30 (1992) 1065-1075
	The role of fluorine in vesuvianite: A crystal-structure study
	Sample: V27
	_database_code_amcsd 0005283
	15.558 15.558 11.805 90 90 90 *P4/nnc
	.25 .25 .25
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	SiZ1 .75 .25 0 .0063 .0063 .0058 0 0 0
	SiZ2 -.18083 .04030 .87134 .0056 .0066 .0065 -.0001 -.0002 .0007
	SiZ3 -.08302 -.15077 .36466 .0114 .0051 .0060 .0001 .0001 -.0002
	CaX1 .75 .25 .25 .99 .0143 .0103 .0081 0 0 0
	NaX1 .75 .25 .25 .01 .0143 .0103 .0081 0 0 0
	CaX2 -.18912 .04380 .37967 .99 .0070 .0099 .0077 .0010 -.0007 .0003
	NaX2 -.18912 .04380 .37967 .01 .0070 .0099 .0077 .0010 -.0007 .0003
	CaX3 -.10004 -.17951 .88558 .99 .0113 .0099 .0184 .0026 -.0049 -.0026
	NaX3 -.10004 -.17951 .88558 .01 .0113 .0099 .0184 .0026 -.0049 -.0026
	CaX4 .75 .75 .13981 .99 .0069 .0069 .0256 0 0 0
	NaX4 .75 .75 .13981 .01 .0069 .0069 .0256 0 0 0
	AlY1A .75 .75 .0659 .73 .0066
	MgY1A .75 .75 .0659 .10 .0066
	TiY1A .75 .75 .0659 .08 .0066
	FeY1A .75 .75 .0659 .09 .0066
	AlY1B .75 .75 .0333 .73 .0066
	MgY1B .75 .75 .0333 .10 .0066
	TiY1B .75 .75 .0333 .08 .0066
	FeY1B .75 .75 .0333 .09 .0066
	AlY2 0 0 0 .73 .0061 .0058 .0075 .0006 .0002 .0003
	MgY2 0 0 0 .10 .0061 .0058 .0075 .0006 .0002 .0003
	TiY2 0 0 0 .08 .0061 .0058 .0075 .0006 .0002 .0003
	FeY2 0 0 0 .09 .0061 .0058 .0075 .0006 .0002 .0003
	AlY3 -.11165 .12058 .12695 .73 .0084 .0071 .0069 -.0007 .0013 -.0004
	MgY3 -.11165 .12058 .12695 .10 .0084 .0071 .0069 -.0007 .0013 -.0004
	TiY3 -.11165 .12058 .12695 .08 .0084 .0071 .0069 -.0007 .0013 -.0004
	FeY3 -.11165 .12058 .12695 .09 .0084 .0071 .0069 -.0007 .0013 -.0004
	O1 -.21997 .17262 .08522 .0121 .0070 .0072 .0008 .0001 .0004
	O2 -.11677 .15967 .27911 .0085 .0086 .0097 -.0011 -.0022 .0000
	O3 -.04923 .22180 .07596 .0087 .0070 .0076 -.0005 -.0003 -.0005
	O4 -.06178 .10619 .47002 .0087 .0072 .0080 .0007 -.0009 .0009
	O5 -.17033 .01483 .17876 .0101 .0142 .0081 .0047 .0014 -.0009
	O6 .88181 -.27135 .05954 .0275 .0089 .0100 .0040 .0026 .0027
	O7 .05602 .17430 .32218 .0083 .0109 .0112 .0017 .0006 -.0007
	O8 -.06078 -.09047 .06683 .0071 .0075 .0105 .0007 .0027 .0014
	O9 -.14426 -.14426 .25 .0139 .0139 .0070 -.0024 -.0006 .0006
	O10A .75 .75 .8380 .0127
	O10B .75 .75 .8824 .0127
	OH -.00465 .06220 .13571 .70 .0056 .0090 .0057 -.0007 -.0002 -.0011
	F -.00465 .06220 .13571 .28 .0056 .0090 .0057 -.0007 -.0002 -.0011
	Cl -.00465 .06220 .13571 .02 .0056 .0090 .0057 -.0007 -.0002 -.0011
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	Vesuvianite
	Groat L A, Hawthorne F C, Ercit T S
	The Canadian Mineralogist 30 (1992) 1065-1075
	The role of fluorine in vesuvianite: A crystal-structure study
	Sample: V4
	_database_code_amcsd 0005284
	15.563 15.563 11.806 90 90 90 *P4/nnc
	.25 .25 .25
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	SiZ1 .75 .25 0 .0075 .0075 .0061 0 0 0
	SiZ2 -.18110 .04051 .87127 .0063 .0080 .0069 -.0003 -.0002 .0005
	SiZ3 -.08262 -.15057 .36466 .0117 .0058 .0067 .0005 .0002 .0001
	CaX1 .75 .25 .25 .0158 .0086 .0065 0 0 0
	CaX2 -.18893 .04375 .37951 .0075 .0104 .0077 .0007 -.0005 .0004
	CaX3 -.10040 -.17965 .88627 .0117 .0104 .0174 .0022 -.0041 -.0020
	CaX4 .75 .75 .14025 .0104 .0104 .0272 0 0 0
	AlY1A .75 .75 .0708 .75 .0063
	MgY1A .75 .75 .0708 .09 .0063
	FeY1A .75 .75 .0708 .13 .0063
	TiY1A .75 .75 .0708 .02 .0063
	MnY1A .75 .75 .0708 .01 .0063
	AlY1B .75 .75 .0392 .75 .0063
	MgY1B .75 .75 .0392 .09 .0063
	FeY1B .75 .75 .0392 .13 .0063
	TiY1B .75 .75 .0392 .02 .0063
	MnY1B .75 .75 .0392 .01 .0063
	AlY2 0 0 0 .75 .0069 .0062 .0086 .0001 .0006 .0005
	MgY2 0 0 0 .09 .0069 .0062 .0086 .0001 .0006 .0005
	FeY2 0 0 0 .13 .0069 .0062 .0086 .0001 .0006 .0005
	TiY2 0 0 0 .02 .0069 .0062 .0086 .0001 .0006 .0005
	MnY2 0 0 0 .01 .0069 .0062 .0086 .0001 .0006 .0005
	AlY3 -.11277 .12102 .12651 .75 .0084 .0081 .0077 .0000 .0009 -.0009
	MgY3 -.11277 .12102 .12651 .09 .0084 .0081 .0077 .0000 .0009 -.0009
	FeY3 -.11277 .12102 .12651 .13 .0084 .0081 .0077 .0000 .0009 -.0009
	TiY3 -.11277 .12102 .12651 .02 .0084 .0081 .0077 .0000 .0009 -.0009
	MnY3 -.11277 .12102 .12651 .01 .0084 .0081 .0077 .0000 .0009 -.0009
	O1 -.21990 .17274 .08566 .0136 .0085 .0091 .0005 -.0002 .0003
	O2 -.11682 .15984 .27887 .0090 .0105 .0101 -.0006 -.0027 .0010
	O3 -.04919 .22171 .07559 .0104 .0068 .0078 .0000 -.0008 .0000
	O4 -.06179 .10600 .47040 .0096 .0073 .0088 -.0006 -.0010 .0011
	O5 -.16981 .01553 .17865 .0106 .0139 .0139 .0010 -.0007 .0098
	O6 .88244 -.27133 .05923 .0254 .0116 .0125 .0046 .0032 .0032
	O7 .05604 .17422 .32198 .0092 .0126 .0112 .0018 .0015 .0004
	O8 -.06064 -.09015 .06641 .0077 .0092 .0114 .0015 .0028 .0010
	O9 -.14393 -.14393 .25 .0142 .0142 .0070 .0016 -.0004 .0004
	O10A .75 .75 .8507 .0152
	O10B .75 .75 .8812 .0152
	OH -.00418 .06230 .13570 .59 .0070 .0084 .0051 -.0020 -.0006 -.0010
	F -.00418 .06230 .13570 .41 .0070 .0084 .0051 -.0020 -.0006 -.0010
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	Vesuvianite
	Groat L A, Hawthorne F C, Ercit T S
	The Canadian Mineralogist 30 (1992) 1065-1075
	The role of fluorine in vesuvianite: A crystal-structure study
	Sample: V33
	_database_code_amcsd 0005285
	15.538 15.538 11.786 90 90 90 *P4/nnc
	.25 .25 .25
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	SiZ1 .75 .25 0 .0068 .0068 .0060 0 0 0
	SiZ2 -.18097 .04035 .87121 .0055 .0060 .0066 .0004 -.0004 .0005
	SiZ3 -.08293 -.15062 .36465 .0099 .0051 .0062 -.0003 .0001 .0001
	CaX1 .75 .25 .25 .0170 .0077 .0065 0 0 0
	CaX2 -.18908 .04425 .37937 .0063 .0090 .0072 .0009 -.0005 .0001
	CaX3 -.10062 -.17962 .88753 .0093 .0084 .0170 .0013 -.0035 -.0020
	CaX4 .75 .75 .14147 .0111 .0111 .0171 0 0 0
	AlY1A .75 .75 .0747 .75 .0052
	MgY1A .75 .75 .0747 .10 .0052
	FeY1A .75 .75 .0747 .11 .0052
	TiY1A .75 .75 .0747 .02 .0052
	MnY1A .75 .75 .0747 .02 .0052
	AlY1B .75 .75 .0436 .75 .0052
	MgY1B .75 .75 .0436 .10 .0052
	FeY1B .75 .75 .0436 .11 .0052
	TiY1B .75 .75 .0436 .02 .0052
	MnY1B .75 .75 .0436 .02 .0052
	AlY2 0 0 0 .75 .0057 .0064 .0090 .0008 -.0001 .0007
	MgY2 0 0 0 .10 .0057 .0064 .0090 .0008 -.0001 .0007
	FeY2 0 0 0 .11 .0057 .0064 .0090 .0008 -.0001 .0007
	TiY2 0 0 0 .02 .0057 .0064 .0090 .0008 -.0001 .0007
	MnY2 0 0 0 .02 .0057 .0064 .0090 .0008 -.0001 .0007
	AlY3 -.11239 .12085 .12675 .75 .0077 .0072 .0076 -.0006 .0008 -.0001
	MgY3 -.11239 .12085 .12675 .10 .0077 .0072 .0076 -.0006 .0008 -.0001
	FeY3 -.11239 .12085 .12675 .11 .0077 .0072 .0076 -.0006 .0008 -.0001
	TiY3 -.11239 .12085 .12675 .02 .0077 .0072 .0076 -.0006 .0008 -.0001
	MnY3 -.11239 .12085 .12675 .02 .0077 .0072 .0076 -.0006 .0008 -.0001
	O1 -.21981 .17311 .08541 .0129 .0075 .0094 .0008 .0007 .0021
	O2 -.11679 .15997 .27914 .0096 .0088 .0109 -.0018 -.0039 -.0003
	O3 -.04840 .22178 .07583 .0097 .0059 .0068 .0007 .0013 .0000
	O4 -.06142 .10631 .47040 .0075 .0068 .0085 .0003 .0008 .0017
	O5 -.17025 .01516 .17909 .0086 .0123 .0091 .0039 .0019 -.0015
	O6 .88171 -.27182 .05783 .0202 .0103 .0110 .0032 .0030 .0030
	O7 .05618 .17355 .32117 .0070 .0152 .0114 .0019 .0013 .0023
	O8 -.06060 -.09045 .06637 .0067 .0079 .0105 .0001 .0022 .0013
	O9 -.14457 -.14457 .25 .0120 .0120 .0083 -.0038 -.0004 .0004
	O10A .75 .75 .8552 .0152
	O10B .75 .75 .8764 .0152
	OH -.00398 .06138 .13612 .53 .0058 .0085 .0038 -.0013 -.0011 -.0004
	F -.00398 .06138 .13612 .47 .0058 .0085 .0038 -.0013 -.0011 -.0004
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	Hydropyrochlore
	Ercit T S, Hawthorne F C, Cerny P
	The Canadian Mineralogist 32 (1994) 415-420
	The structural chemistry of kalipyrochlore, a "hydropyrochlore"
	_database_code_amcsd 0005370
	10.604 10.604 10.604 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Nb 0 0 0 .90 .0259 .0259 .0259 .0259 -.0065 -.0065 -.0065
	Ti 0 0 0 .10 .0259 .0259 .0259 .0259 -.0065 -.0065 -.0065
	SrA .5 .5 .5 .05 .0042
	CaA .5 .5 .5 .01 .0042
	WatA' .5100 .5100 .5100 .5 .0042
	O .3120 .125 .125 .68 .0159
	OH .3120 .125 .125 .32 .0159
	Wat' .398 .398 .331 .58 .0500
	K' .398 .398 .331 .10 .0500
	Wat" .407 .407 .407 .58 .0500
	K" .407 .407 .407 .10 .0500
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	Ferritungstite
	Ercit T S, Robinson G W
	The Canadian Mineralogist 32 (1994) 567-574
	A refinement of the structure of ferritungstite from Kalzas mountain, Yukon, and
	observations on the tungsten pyrochlores
	Locality: Kalzas mountain, Yukon, Canada
	_database_code_amcsd 0005408
	10.352 10.352 10.352 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	FeB 0 0 0 .27 .0258 .0258 .0258 -.0067 -.0067 -.0067
	WB 0 0 0 .73 .0258 .0258 .0258 -.0067 -.0067 -.0067
	CaA .5 .5 .5 .06 .0200
	NaA .5 .5 .5 .02 .0200
	H2OA .5 .5 .5 .59 .0200
	O .3101 .125 .125 .78 .0197
	OH .3101 .125 .125 .22 .0197
	Wat' .375 .375 .375 .80 .1264
	K' .375 .375 .375 .20 .1264
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	Gaultite
	Ercit T S, Van Velthuizen J
	The Canadian Mineralogist 32 (1994) 855-863
	Gaultite, a new zeolite-like mineral species from Mont Saint-Hilaire, Quebec,
	and its crystal structure
	Locality: Mont Saint-Hilaire, Quebec, Canada
	_database_code_amcsd 0005410
	10.231 39.91 10.339 90 90 90 F2dd
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Zn .25 .05464 .33774 .0116 .0105 .0106 -.0006 .0022 .0013
	Si1 .2810 .16421 .0909 .0091 .0106 .0084 .0015 -.0019 -.0003
	Si2 .2461 .09015 .0554 .0099 .0097 .0096 .0010 -.0022 .0003
	Si3 .5355 .07200 .0439 .0079 .0098 .0082 .0016 -.0006 -.0004
	Si4 .6058 0 0 .0095 .0082 .0093 0 0 .0013
	Na1 .0445 .12519 .3003 .0284 .0220 .0273 .0006 -.0118 .0047
	Na2' .3275 .2396 .0561 .5
	Na2" .3622 .2534 .0871 .5
	O1 .5082 .03154 .0355 .0139 .0089 .0206 .0014 .0037 .0003
	O2 .3993 .09110 .0116 .0069 .0188 .0150 .0029 -.0019 -.0009
	O3 .2105 .12776 .1113 .0147 .0129 .0182 -.0029 .0039 -.0027
	O4 .5772 .08149 .1914 .0156 .0293 .0080 -.0013 -.0005 -.0017
	O5 .4174 .16520 .1708 .0115 .0198 .0106 -.0001 -.0040 -.0004
	O6 .1466 .08424 .4480 .0147 .0107 .0111 .0027 .0047 -.0001
	O7 .2141 .06228 .1568 .0290 .0154 .0134 -.0044 -.0043 .0034
	O8 .1914 .00868 .3740 .0160 .0117 .0139 .0001 .0026 .0024
	O9 .1861 .19363 .1328 .0152 .0147 .0238 .0032 -.0010 -.0041
	OW1 .1347 .1602 .4621 .0287 .0162 .0273 .0028 .0014 .0023
	OW2 .1693 .2768 .1296 .0190 .0204 .0248 -.0040 .0036 -.0014
	OW3 .4831 .2517 .2210 .0332
	H1 .146 .180 .445 .01
	H2 .070 .160 .511 .01
	H3 .085 .269 .144 .01
	H4 .180 .287 .204 .01
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	Murataite-(Y)
	Ercit T S, Hawthorne F C
	The Canadian Mineralogist 33 (1995) 1223-1229
	Murataite, a UB12 derivative structure with condensed Keggin molecules
	_database_code_amcsd 0005476
	14.886 14.886 14.886 90 90 90 F-43m
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	YX .1812 0 0 .37 .0064 .0079 .0079 0 0 .0011
	DyX .1812 0 0 .05 .0064 .0079 .0079 0 0 .0011
	HoX .1812 0 0 .02 .0064 .0079 .0079 0 0 .0011
	ErX .1812 0 0 .05 .0064 .0079 .0079 0 0 .0011
	TmX .1812 0 0 .01 .0064 .0079 .0079 0 0 .0011
	YbX .1812 0 0 .05 .0064 .0079 .0079 0 0 .0011
	LuX .1812 0 0 .01 .0064 .0079 .0079 0 0 .0011
	NaX .1812 0 0 .35 .0064 .0079 .0079 0 0 .0011
	CaX .1812 0 0 .06 .0064 .0079 .0079 0 0 .0011
	MnX .1812 0 0 .03 .0064 .0079 .0079 0 0 .0011
	TiM1 .1629 .1629 .5087 .76 .0072 .0072 .0095 -.0001 -.0014 -.0014
	NbM1 .1629 .1629 .5087 .13 .0072 .0072 .0095 -.0001 -.0014 -.0014
	NaM1 .1629 .1629 .5087 .11 .0072 .0072 .0095 -.0001 -.0014 -.0014
	ZnM2 -.1722 -.1722 -.1722 .48 .0065 .0065 .0065 .0020 .0020 .0020
	FeM2 -.1722 -.1722 -.1722 .25 .0065 .0065 .0065 .0020 .0020 .0020
	NaM2 -.1722 -.1722 -.1722 .16 .0065 .0065 .0065 .0020 .0020 .0020
	TiM2 -.1722 -.1722 -.1722 .11 .0065 .0065 .0065 .0020 .0020 .0020
	ZnT .5 .5 .5 .89 .0135
	SiT .5 .5 .5 .11 .0135
	O1 .2976 .0729 .0729 .0085
	O2 .3962 .3962 .742 .82 .0100
	O3 .5738 .5738 .5738 .0056
	O4 .25 .25 .767 1/12 .0100
	O5 .015 .25 .25 .70 .0132
	F5 .015 .25 .25 .30 .0132
	O6 -.079 -.079 -.079 .45 .0116
	F6 -.079 -.079 -.079 .55 .0116
	F .106 .106 .085 1/3 .0100
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	Vesuvianite
	Groat L A, Hawthorne F C, Lager G A, Schultz A J, Ercit T S
	The Canadian Mineralogist 34 (1996) 1059-1070
	X-ray and neutron crystal-structure refinements of a boron-bearing vesuvianite
	Sample: X-ray data, 298 K
	_database_code_amcsd 0005515
	15.736 15.736 11.720 90 90 90 *P4/nnc
	.25 .25 .25
	atom x y z occ Uiso
	SiZ1 .75 .25 0 .0101
	SiZ2 -.17845 .04337 .87235 .0128
	SiZ3 -.08377 -.14983 .36469 .0100
	CaX1 .75 .25 .25 .0119
	CaX2 -.19065 .04532 .37977 .0117
	CaX3 -.10155 -.17959 .89776 .0193
	CaX4 .75 .75 .1440 .5 .0148
	FeY1 .75 .75 .0595 .5 .0181
	AlY2 0 0 0 .0086
	AlY3 -.11154 .12045 .12800 .79 .0093
	FeY3 -.11154 .12045 .12800 .21 .0093
	BT1 .0529 .0529 .25 .43 .0100
	AlT1 .0529 .0529 .25 .18 .0100
	BT2 .25 .25 .25 .0100
	O1 -.2199 .1730 .0849 .0131
	O2 -.1211 .1608 .2833 .0153
	O3 -.0418 .2251 .0775 .0153
	O4 -.0617 .1045 .4711 .0133
	O5 -.1716 .0112 .1796 .0138
	O6 -.1210 -.2770 .0537 .0170
	O7a .0561 .1746 .3201 .47 .0170
	O7b .0438 .1472 .3072 .53 .0170
	O8 -.0606 -.0918 .0674 .0111
	O9 -.1460 -.1460 .25 .0138
	O10 .75 .75 .8647 .60 .0580
	O11 -.0014 .0580 .1451 .0193
	O12 .1780 .2735 .2040 .20 .0120
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	Vesuvianite
	Groat L A, Hawthorne F C, Lager G A, Schultz A J, Ercit T S
	The Canadian Mineralogist 34 (1996) 1059-1070
	X-ray and neutron crystal-structure refinements of a boron-bearing vesuvianite
	Sample: neutron data, 15 K
	_database_code_amcsd 0005516
	15.725 15.725 11.716 90 90 90 *P4/nnc
	.25 .25 .25
	atom x y z occ Uiso
	SiZ1 .75 .25 0 .0051
	SiZ2 -.17861 .04330 .87219 .0086
	SiZ3 -.08392 -.15005 .36464 .0049
	CaX1 .75 .25 .25 .0085
	CaX2 -.19057 .04537 .38016 .0090
	CaX3 -.10175 -.17934 .89736 .0201
	CaX4 .75 .75 .1427 .5 .0170
	FeY1 .75 .75 .0588 .5 .0168
	AlY2 0 0 0 .0003
	AlY3 -.11174 .12042 .12844 .79 .0035
	FeY3 -.11174 .12042 .12844 .21 .0035
	BT1 .05207 .05207 .25 .43 .0330
	AlT1 .05207 .05207 .25 .18 .0330
	BT2 .25 .25 .25 .0170
	H1 .4603 .4873 .3032 .0650
	O1 -.22023 .17287 .08453 .0087
	O2 -.12103 .16090 .28337 .0118
	O3 -.04198 .22508 .07781 .0115
	O4 -.06153 .10423 .47154 .0086
	O5 -.17154 .01172 .18009 .0091
	O6 -.12085 -.27678 .05290 .0113
	O7a .05546 .17608 .31925 .43 .0071
	O7b .04553 .14752 .30690 .57 .0132
	O8 -.06027 -.09210 .06682 .0077
	O9 -.14627 -.14627 .25 .0087
	O10 .75 .75 .86801 .55 .0220
	O11 -.00124 .05765 .14630 .0213
	O12 .17532 .22656 .29539 .22 .0590
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	Dugganite
	Lam A E, Groat L A, Ercit T S
	The Canadian Mineralogist 36 (1998) 823-830
	The crystal structure of dugganite, Pb3Zn3TeAs2O14
	_database_code_amcsd 0005548
	8.460 8.460 5.206 90 90 120 P321
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Te 0 0 0 .0305 .0305 .0158 .0153 0 0
	As 1/3 2/3 .5294 .0237 .0237 .0369 .0119 0 0
	Pb .59472 0 0 .0359 .0380 .0303 .0190 .0010 .0020
	Zn .2466 0 .5 .0343 .0286 .0248 .0143 -.0007 -.0014
	O1 .122 .212 .217 .0325 .0363 .0247 .0109 .0043 -.0050
	O2 .467 .200 .339 .0502 .0671 .0398 .0048 .0178 -.0077
	O3 1/3 2/3 .239 .0407 .0407 .0668 .0203 0 0
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	Vuonnemite
	Ercit T S, Cooper M A, Hawthorne F C
	The Canadian Mineralogist 36 (1998) 1311-1320
	The crystal structure of vuonnemite, Na11TiNb2(Si2O7)2(PO4)2O3(F,OH),
	a phosphate-bearing sorosilicate of the lomonosovite group
	Locality: Ilimaussaq, Greenland
	_database_code_amcsd 0005581
	5.4984 7.161 14.450 92.60 95.30 90.60 P-1
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Si1 .18415 .21928 .69712 .0064 .0048 .0072 .0000 .0009 .0000
	Si2 .19844 .79366 .68464 .0064 .0049 .0070 .0002 .0009 .0005
	P .31392 .25633 .06638 .0086 .0073 .0073 .0000 .0010 -.0005
	Nb .30112 .49172 .28387 .0050 .0057 .0063 .0003 .0009 .0003
	Ti .97235 .00088 .50786 .0058
	Na1 .1832 .9821 .8997 .0251 .0158 .0192 .0036 .0009 -.0004
	Na2 .1953 .5079 .8660 .0232 .0138 .0171 -.0025 -.0036 -.0009
	Na3 .4945 .2406 .5010 .0119 .0154 .0200 -.0037 .0079 -.0060
	Na4 .7053 .9926 .7358 .0188 .0205 .0142 -.0005 .0021 .0004
	Na5 .2493 .7369 .0803 .0271 .0154 .0200 .0015 .0046 .0037
	Na6 0 .5 .5 .0179 .0194 .0203 -.0028 .0071 -.0021
	O1 .4349 .3235 .7427 .0106 .0130 .0126 -.0046 .0006 .0007
	O2 .2036 .0057 .7350 .0180 .0058 .0099 .0016 .0016 .0000
	O3 .1614 .8017 .5738 .0131 .0099 .0072 .0019 .0008 .0007
	O4 .4602 .7099 .7190 .0101 .0122 .0147 .0053 -.0015 -.0002
	O5 .0518 .6964 .2550 .0100 .0104 .0110 .0039 .0024 -.0002
	O6 .3231 .5156 .4057 .0142 .0183 .0086 .0001 .0018 -.0005
	O7 .2563 .4304 .1302 .0144 .0079 .0092 .0014 .0022 -.0009
	O8 .2369 .0734 .1081 .0217 .0087 .0156 -.0024 .0039 .0010
	O9 .1602 .2094 .5855 .0114 .0100 .0081 -.0009 .0008 -.0001
	O10 .4118 .7422 .9434 .0087 .0168 .0212 .0003 .0044 -.0034
	O11 .1710 .2745 .9710 .0247 .0157 .0103 .0022 -.0057 -.0012
	O12 .0173 .3163 .2722 .0116 .0144 .0142 .0062 .0029 .0022
	O13 .2687 .0024 .4230 .0175 .0201 .0171 -.0007 .0032 .0002
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	Vuonnemite
	Ercit T S, Cooper M A, Hawthorne F C
	The Canadian Mineralogist 36 (1998) 1311-1320
	The crystal structure of vuonnemite, Na11TiNb2(Si2O7)2(PO4)2O3(F,OH),
	a phosphate-bearing sorosilicate of the lomonosovite group
	Locality: Lovozero, Kola Peninsula, Russia
	_database_code_amcsd 0005582
	5.4970 7.1630 14.437 92.55 95.30 90.61 P-1
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Si1 .18446 .21937 .69737 .0081 .0067 .0088 .0002 .0008 .0001
	Si2 .19918 .79300 .68471 .0078 .0068 .0083 .0002 .0008 .0005
	P .31393 .25693 .06612 .0105 .0090 .0092 .0002 .0012 -.0007
	Nb .30111 .49199 .28413 .0070 .0079 .0086 .0001 .0008 .0005
	Ti .97299 .00048 .50810 .0082 .0082 .0064 -.0004 .0006 .0009
	Na1 .1837 .9822 .89983 .0261 .0174 .0203 .0037 .0008 -.0007
	Na2 .1936 .5082 .86520 .0302 .0163 .0208 -.0020 -.0036 -.0012
	Na3 .4945 .2418 .50112 .0159 .0199 .0256 -.0042 .0087 -.0065
	Na4 .7060 .9918 .73624 .0203 .0242 .0159 -.0055 .0015 -.0003
	Na5 .2507 .7368 .08094 .0320 .0162 .0214 .0020 .0057 .0035
	Na6 0 .5 .5 .0181 .0209 .0223 -.0031 .0069 -.0023
	O1 .4355 .3240 .74295 .0123 .0155 .0138 -.0059 .0003 -.0000
	O2 .2034 .0048 .73487 .0201 .0058 .0107 .0015 .0007 .0004
	O3 .1624 .8012 .57348 .0161 .0112 .0086 .0010 .0004 .0012
	O4 .4615 .7095 .71855 .0115 .0143 .0173 .0052 -.0020 -.0010
	O5 .0526 .6962 .25513 .0110 .0123 .0136 .0038 .0026 -.0004
	O6 .3242 .5166 .40636 .0157 .0218 .0106 .0000 .0021 -.0011
	O7 .2552 .4307 .13009 .0169 .0100 .0109 .0016 .0028 -.0009
	O8 .2370 .0730 .10740 .0248 .0100 .0173 -.0029 .0042 .0012
	O9 .1610 .2093 .58525 .0145 .0111 .0088 -.0008 .0008 .0003
	O10 .4113 .7415 .94321 .0119 .0188 .0237 .0007 .0054 -.0021
	O11 .1729 .2752 .97009 .0273 .0175 .0133 .0014 -.0067 -.0008
	O12 .0176 .3174 .27290 .0141 .0174 .0165 -.0068 .0028 .0024
	O13 .2699 .0026 .42335 .0165 .0184 .0130 -.0015 .0028 .0007
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	Choloalite
	Lam A E, Groat L A, Grice J D, Ercit T S
	The Canadian Mineralogist 37 (1999) 721-729
	The crystal structure of choloalite
	_database_code_amcsd 0005603
	12.520 12.520 12.520 90 90 90 P4_132
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Te .0812 .4406 .3401 .0224 .0204 .0265 .0201 .0034 .0047 -.0005
	Cu .125 .2321 -.5179 .93 .0197 .0193 .0199 .0199 -.0011 .0011 .0091
	Sb .125 .2321 -.5179 .07 .0197 .0193 .0199 .0199 -.0011 .0011 .0091
	Pb1 .1927 .1927 .1927 .90 .0378 .0378 .0378 .0378 -.0073 -.0073 -.0073
	Ca1 .1927 .1927 .1927 .10 .0378 .0378 .0378 .0378 -.0073 -.0073 -.0073
	Pb2 3/8 3/8 3/8 .90 .0265 .0265 .0265 .0265 -.0076 -.0076 -.0076
	Ca2 3/8 3/8 3/8 .10 .0265 .0265 .0265 .0265 -.0076 -.0076 -.0076
	O1 .0261 .1205 .2682 .0413
	O2 .1759 .3274 .3738 .0232
	O3 .1857 .5200 .2613 .0248
	Cl 7/8 7/8 7/8 .92 .0548 .0548 .0548 .0548 .0024 .0024 .0024
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	Ordonezite
	Ercit T S, Foord E E, Fitzpatrick J J
	The Canadian Mineralogist 40 (2002) 1207-1210
	Ordonezite from the Theodoso Soto Mine, Sapioris, Durango, Mexico:
	New data and structure refinement
	Locality: Theodoso Soto Mine, Sapioris, Durango, Mexico
	_database_code_amcsd 0005790
	4.6638 4.6638 9.263 90 90 90 P4_2/mnm
	atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Zn 0 0 0 .59 .0059 .0059 .0020 -.0002 0 0
	Sb 0 0 .3322 .30 .0029 .0029 .0011 -.0001 0 0
	O1 .315 .315 0 .4
	O2 .304 .304 .325 .5
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	Manitobaite
	Tait K T, Ercit T S, Abdu Y A, Cerny P, Hawthorne F C
	The Canadian Mineralogist 49 (2011) 1221-1242
	The crystal structure and crystal chemistry of manitobaite,
	ideally (Na16_)Mn2+25Al8(PO4)30, from Cross Lake, Manitoba
	Note: green sample
	Locality: Cross Lake, Manitoba, Canada
	_database_code_amcsd 0018618
	13.4517 12.5266 26.6765 90 101.582 90 Pc
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Mn1 .27507 .48754 .53463 .0110 .0090 .0096 .0142 -.0008 .0014 .0008
	Mn2 .08521 .51473 .23568 .0098 .0144 .0092 .0056 -.0009 .0018 .0009
	Mn3 .38701 .01272 .43005 .0086 .0101 .0059 .0095 .0014 .0008 .0007
	Mn4 .04125 .25301 -.20979 .0203 .0186 .0128 .0319 -.0008 .0111 -.0010
	Mn5 .22275 .24635 .57565 .0093 .0030 .0043 .0222 -.0008 .0064 .0007
	Mn6 .87662 .48637 -.06323 .0097 .0084 .0115 .0091 .0000 .0014 .0005
	Mn7 .43438 .24765 .38375 .0105 .0102 .0051 .0182 -.0017 .0078 -.0027
	Mn8 .82869 .25261 -.01776 .0144 .0100 .0104 .0236 .0000 .0059 -.0005
	Mn9 .17913 -.01368 .13076 .0104 .0115 .0097 .0095 .0013 .0012 -.0017
	Mn10 -.01129 -.01214 .33218 .0077 .0101 .0094 .0040 -.0017 .0020 -.0009
	Fe1 .19871 .39896 .34672 .0059 .0072 .0054 .0053 .0012 .0019 .0013
	Fe2 .59775 .39878 -.05414 .0081 .0086 .0056 .0096 -.0003 .0010 .0001
	Fe3 .99429 .60248 .04841 .0085 .0082 .0080 .0085 .0032 .0001 -.0017
	Fe4 .49414 .09107 .04032 .0111 .0095 .0158 .0070 -.0009 -.0007 -.0001
	Fe5 .77060 .40985 .32664 .0077 .0085 .0060 .0094 -.0001 .0038 .0010
	Fe6 .06581 .10090 .02103 .0111 .0116 .0098 .0113 -.0018 .0010 -.0018
	Fe7 .26967 .10208 -.18088 .0095 .0096 .0086 .0102 .0027 .0020 -.0012
	Fe8 .66696 -.10120 -.07847 .0091 .0098 .0095 .0083 -.0002 .0026 .0025
	FeX1 .17085 .58558 .42249 .67 .0086 .0098 .0069 .0095 -.0009 .0029 -.0015
	AlX1 .17085 .58558 .42249 .21 .0086 .0098 .0069 .0095 -.0009 .0029 -.0015
	MgX1 .17085 .58558 .42249 .12 .0086 .0098 .0069 .0095 -.0009 .0029 -.0015
	FeX2 .09331 .08534 .44465 .68 .0081 .0073 .0087 .0071 -.0014 -.0011 -.0016
	MgX2 .09331 .08534 .44465 .32 .0081 .0073 .0087 .0071 -.0014 -.0011 -.0016
	MnM1 .40036 .39500 .14503 .5 .0139 .0156 .0122 .0133 -.0020 .0015 .0010
	FeM1 .40036 .39500 .14503 .5 .0139 .0156 .0122 .0133 -.0020 .0015 .0010
	FeM2 .86433 .10538 .22203 .5 .0055 .0043 .0095 .0031 .0011 .0015 -.0020
	MnM2 .86433 .10538 .22203 .5 .0055 .0043 .0095 .0031 .0011 .0015 -.0020
	MnY1 .63196 .25018 .18278 .36 .0211 .0128 .0110 .0431 -.0037 .0142 -.0070
	CaY1 .63196 .25018 .18278 .64 .0211 .0128 .0110 .0431 -.0037 .0142 -.0070
	CaZ1 .48574 .48313 .33333 .28 .0097 .0088 .0071 .0125 -.0004 .0007 .0030
	CaZ1 .48574 .48313 .33333 .72 .0097 .0088 .0071 .0125 -.0004 .0007 .0030
	CaZ2 .77802 .01716 .03361 .16 .0130 .0169 .0135 .0085 -.0006 .0026 -.0009
	MnZ2 .77802 .01716 .03361 .84 .0130 .0169 .0135 .0085 -.0006 .0026 -.0009
	Al1 .79378 .40085 -.24963 .79 .0091
	Fe1 .79378 .40085 -.24963 .21 .0091
	Al2 .69337 .08254 -.15735 .93 .0111
	Fe2 .69337 .08254 -.15735 .07 .0111
	Al3 .57167 .41841 .52499 .99 .0033
	Fe3 .57167 .41841 .52499 .01 .0033
	Al4 .47177 -.09752 .11731 .84 .0038
	Fe4 .47177 -.09752 .11731 .16 .0038
	Al5 .37517 .59176 .22079 .89 .0053
	Fe5 .37517 .59176 .22079 .11 .0053
	Al6 .96963 .41774 .12540 .68 .0028
	Fe6 .96963 .41774 .12540 .32 .0028
	Al7 -.11089 -.09417 .14659 .71 .0158
	Fe7 -.11089 -.09417 .14659 .29 .0158
	Al8 .29588 .08395 .24195 .52 .0127
	Fe8 .29588 .08395 .24195 .48 .0127
	P1 .40209 .13488 .14892 .0030
	P2 .70153 .34258 -.14612 .0066
	P3 .30164 .34793 .25316 .0091
	P4 .60162 .13727 -.05494 .0063
	P5 .09175 .35266 .45270 .0063
	P6 .38732 .46137 .43812 .0062
	P7 .20519 .13444 .34885 .0062
	P8 .05946 .36547 .01903 .0082
	P9 .26781 .36553 -.18399 .0070
	P10 .18424 .53436 .13790 .0073
	P11 -.01674 .53784 .33383 .0071
	P12 .49305 .35253 .05063 .0075
	P13 .86212 .36354 .21862 .0127
	P14 .78071 .46791 .03942 .0081
	P15 .58616 .47773 .23731 .0112
	P16 .56239 .15909 .51283 .0065
	P17 .90474 .35027 -.33908 .0066
	P18 .36003 .15004 .70594 .0094
	P19 .17276 -.14959 .41438 .0099
	P20 .45212 .35515 .61159 .0100
	P21 .81270 .14356 -.24362 .0040
	P22 .28217 .03770 .53366 .0079
	P23 -.03645 .15884 .11323 .0108
	P24 .99742 .86386 .05301 .0087
	P25 .66298 .36209 .42220 .0078
	P26 .07951 -.03460 .22874 .0066
	P27 .48318 .03183 .32755 .0059
	P28 .77030 .14964 .31600 .0069
	P29 .87667 .03750 -.07163 .0080
	P30 .67915 .02383 .12999 .0048
	Na1 .58711 .01517 .22905 .72 .0053
	Ca1 .58711 .01517 .22905 .28 .0053
	Na2 .67265 .48283 .13788 .64 .0104
	Ca2 .67265 .48283 .13788 .36 .0104
	Na3 .7783 .7265 .04229 .0243
	Na4 .2800 .2288 .03146 .0289
	Na5 .1823 .2689 .13214 .0279
	Na6 .8829 .7743 -.06103 .0238
	Na7 .32117 .2532 .47428 .0123
	Na8 .52955 .2480 .27670 .93 .0125
	Na9 .3820 -.2751 .42969 .99 .0183
	Na10 .1266 .7510 .17767 .0123
	Na11 .9843 .2745 .33739 .93 .0163
	Na12 .4874 .2275 -.17186 .0256
	Na13 .0844 .2286 .23757 .99 .0212
	Na14 .72405 .2534 .07897 .0170
	Na15 .9333 .2464 -.11579 .93 .0156
	Na16A .5869 .2584 -.2831 .45 .027
	Na16B .6768 .2455 .6541 .55 .037
	O1 .2157 -.0369 .55875 .0091
	O2 .3082 .5281 .45960 .0046
	O3 .5526 .2423 -.07616 .0081
	O4 .1419 .4256 -.00312 .0156
	O5 .2672 -.0947 .39937 .0142
	O6 .0307 .4315 .06254 .0170
	O7 .5675 .3456 .37889 .0092
	O8 .3126 .2592 -.16320 .0112
	O9 .1037 .2592 .03920 .0100
	O10 .9626 .3513 -.02450 .0065
	O11 .0575 .0976 .10099 .0156
	O12 .1041 .4660 .15834 .0120
	O13 .9486 .7598 .03040 .0106
	O14 .6578 .0992 .50275 .0105
	O15 .1671 .3473 -.22442 .0032
	O16 .3448 .4172 -.21388 .0129
	O17 .7442 .4056 -.18626 .0121
	O18 .3527 .3466 .57063 .0050
	O19 .5321 .4158 .58863 .0068
	O20 .7002 .5388 .05777 .0117
	O21 .2443 .4358 -.14177 .0139
	O22 .4782 .1618 .46357 .0085
	O23 .1347 .6220 .10101 .0160
	O24 .7861 .3333 -.09712 .0133
	O25 .7441 .4243 .40206 .0135
	O26 .9338 .4226 -.38092 .0107
	O27 .2078 -.2567 .43725 .0128
	O28 .4160 -.0399 .35359 .0057
	O29 .6307 .4298 .46454 .0109
	O30 .8377 .4021 .08442 .0148
	O31 .3977 .2575 .72980 .0137
	O32 .5981 .2696 .53140 .0069
	O33 .9434 .4199 .19349 .0152
	O34 .1758 .3383 .50052 .0132
	O35 .0574 .2412 .4292 .0179
	O36 .8353 .0808 -.28988 .0135
	O37 .3520 .2357 .12195 .0090
	O38 .1340 -.0858 .45503 .0131
	O39 .0851 -.1569 .36618 .0097
	O40 .8293 .4406 .25769 .0185
	O41 .3866 .3306 .30186 .0152
	O42 .6666 .2286 -.16624 .0130
	O43 .7689 .3374 .17650 .0107
	O44 .8135 -.0357 -.04471 .0092
	O45 .4444 .0971 .68327 .0084
	O46 .5009 .5439 .25249 .0112
	O47 .1578 .2407 .32789 .0115
	O48 -.0884 .4744 .36085 .0075
	O49 .8645 .0941 .30139 .0110
	O50 .6288 .4081 .28293 .0189
	O51 .3378 .3751 .39965 .0132
	O52 .6046 -.0526 .14860 .0077
	O53 .4929 .2449 .62732 .0091
	O54 .4478 .3950 .48267 .0113
	O55 .0191 -.0951 .18236 .0109
	O56 .7273 .0740 .35189 .0165
	O57 .9993 .3346 -.29549 .0156
	O58 .0016 .2712 .13359 .0173
	O59 .2438 .5963 .1838 .0180
	O60 .9263 .1256 -.03436 .0101
	O61 .7335 .3806 .00169 .0145
	O62 .3376 .1147 .57543 .0102
	O63 .4549 .2504 .02053 .0125
	O64 .8187 .1026 -.11683 .0109
	O65 .8467 .5405 .01414 .0141
	O66 .0164 .0390 .25565 .0072
	O67 .8090 .2509 .34555 .0133
	O68 .5727 .3234 .09851 .0163
	O69 .2475 .4604 .11107 .0136
	O70 .4522 .5346 .41105 .0148
	O71 .6598 .5557 .21891 .0131
	O72 -.0751 .6144 .29081 .0157
	O73 .3314 .0832 .74857 .0130
	O74 .3450 .4189 .21420 .0134
	O75 .4315 .4180 .65766 .0096
	O76 .7170 .1038 .17244 .0090
	O77 .2364 .0675 .30558 .0068
	O78 .0455 .6191 .36917 .0141
	O79 .5492 .4019 .19203 .0189
	O80 .9105 .2658 .24579 .0170
	O81 .1299 .4240 .41313 .0127
	O82 .2208 .1147 .49404 .0180
	O83 .5201 .0974 .55388 .0071
	O84 .2665 .1623 .66292 .0071
	O85 -.0765 .1028 .15428 .0186
	O86 .1288 -.1220 .26605 .0077
	O87 .0468 .4610 .30830 .0112
	O88 .4382 .0581 .11045 .0037
	O89 .3506 -.0275 .50570 .0124
	O90 .1575 .0324 .20642 .0097
	O91 .7082 .2569 .44322 .0159
	O92 -.1212 .1644 .06483 .0113
	O93 .7692 .2541 -.26036 .0133
	O94 .4276 .0946 .28069 .0133
	O95 .5406 .4294 .01605 .0055
	O96 .5218 .0714 -.03358 .0055
	O97 .5284 .1185 .36695 .0096
	O98 -.0001 .4053 .46792 .0081
	O99 .4027 .4079 .06671 .0096
	O100 .0979 .8463 .09005 .0180
	O101 .6967 .1581 -.01362 .0129
	O102 .7318 .0802 -.22270 .0116
	O103 .9531 -.0296 -.0935 .0181
	O104 .6349 .0694 -.09713 .0077
	O105 .6104 .4017 -.13406 .0114
	O106 .3183 .0772 .17134 .0112
	O107 .1241 .0736 .36999 .0117
	O108 .9177 .9237 .07648 .0139
	O109 .6867 .1697 .26900 .0122
	O110 .9147 .1551 -.20436 .0138
	O111 .2092 .4018 .26655 .0084
	O112 .4951 .1667 .18886 .0138
	O113 .3019 .1508 .38952 .0116
	O114 .8158 .4044 -.32021 .0129
	O115 .0183 .9365 .00970 .0117
	O116 .5602 -.0384 .30651 .0065
	O117 .6384 .0874 .08163 .0131
	O118 .8662 .2417 -.3630 .0181
	O119 .7632 -.0443 .11237 .0169
	O120 .2656 .2389 .23025 .0213
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Manitobaite
	Tait K T, Ercit T S, Abdu Y A, Cerny P, Hawthorne F C
	The Canadian Mineralogist 49 (2011) 1221-1242
	The crystal structure and crystal chemistry of manitobaite,
	ideally (Na16_)Mn2+25Al8(PO4)30, from Cross Lake, Manitoba
	Note: brown sample
	Locality: Cross Lake, Manitoba, Canada
	_database_code_amcsd 0018619
	13.4499 12.5046 26.6148 90 101.221 90 Pc
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Mn1 .275289 .488393 .535181 .01113 .00980 .01328 .01084 -.00104 .00330 .00029
	Mn2 .084665 .511012 .235879 .00369 .00533 .00499 .00107 -.00011 .00140 -.00087
	Mn3 .388493 .013166 .429833 .00539 .00481 .00521 .00637 .00017 .00163 -.00085
	Mn4 .039362 .253828 -.212158 .01915 .01595 .01367 .02879 -.00095 .00670 -.00128
	Mn5 .223740 .247211 .577391 .01022 .00467 .00353 .02546 -.00087 .01037 .00149
	Mn6 .875860 .487213 -.063037 .01339 .01544 .01344 .01058 .00100 .00072 .00222
	Mn7 .434902 .248667 .381585 .01324 .00891 .00537 .02676 .00347 .00673 -.00044
	Mn8 .829743 .252777 -.016628 .01397 .01060 .00878 .02342 -.00442 .00548 -.00223
	Mn9 .180012 -.011333 .131105 .01787 .02006 .01786 .01454 .00237 .00056 -.00111
	Mn10 -.010780 -.011785 .331872 .00716 .00968 .00604 .00530 -.00298 .00031 -.00163
	Fe1 .198527 .398349 .346680 .00923 .01055 .00785 .01027 .00015 .00443 .00096
	Fe2 .597455 .397580 -.054478 .01133 .01370 .00906 .01114 .00164 .00220 .00369
	Fe3 .992960 .603527 .048612 .00666 .00884 .00822 .00242 -.00084 -.00016 .00048
	Fe4 .494370 .091271 .041046 .01080 .01047 .01141 .00978 -.00159 .00012 -.00172
	Fe5 .770588 .409639 .326560 .00609 .00569 .00867 .00423 .00026 .00179 .00209
	Fe6 .066056 1.102577 .020953 .00714 .00810 .00525 .00620 -.00027 -.00325 -.00107
	Fe7 .270389 .103308 -.181010 .01067 .01118 .00626 .01427 -.00039 .00170 .00035
	Fe8 .667519 -.101813 -.079244 .00492 .00483 .00498 .00521 .00122 .00162 .00600
	FeX1 .171047 .585961 .423389 .70 .00874 .00863 .00789 .00931 -.00083 .00080 .00057
	AlX1 .171047 .585961 .423389 .30 .00874 .00863 .00789 .00931 -.00083 .00080 .00057
	FeX2 .093311 .085168 .445086 .62 .00632 .00695 .00657 .00507 -.00095 .00026 .00043
	AlX2 .093311 .085168 .445086 .38 .00632 .00695 .00657 .00507 -.00095 .00026 .00043
	MnM1 .398564 .393158 .145179 .50 .01428 .01842 .01422 .00902 .00064 -.00023 .00306
	FeM1 .398564 .393158 .145179 .50 .01428 .01842 .01422 .00902 .00064 -.00023 .00306
	FeM2 .866058 .107348 .221745 .50 .00586 .00604 .00601 .00559 .00094 .00132 -.00404
	MnM2 .866058 .107348 .221745 .50 .00586 .00604 .00601 .00559 .00094 .00132 -.00404
	CaY1 .62967 .25097 .177303 .66 .01998 .00856 .00898 .04212 -.00099 .00423 -.00124
	MnY1 .62967 .25097 .177303 .34 .01998 .00856 .00898 .04212 -.00099 .00423 -.00124
	CaZ1 .487283 .484311 .333293 .16 .00866 .00867 .00938 .00742 -.00409 .00033 .00348
	MnZ1 .487283 .484311 .333293 .84 .00866 .00867 .00938 .00742 -.00409 .00033 .00348
	CaZ2 .777816 .01746 .033332 .27 .01491 .01880 .01330 .01183 .00056 .00104 -.00055
	MnZ2 .777816 .01746 .033332 .73 .01491 .01880 .01330 .01183 .00056 .00104 -.00055
	Na1 .59115 .01595 .229211 .61 .00749
	Ca1 .59115 .01595 .229211 .39 .00749
	Na2 .67392 .48572 .137898 .64 .01596
	Ca2 .67392 .48572 .137898 .36 .01596
	Na3 .77758 .72828 .04320 .83 .02469
	Na4 .27766 .23226 .03604 .02821
	Na5 .17900 .26727 .13857 .64 .0327
	Na6 .88371 .77215 -.06119 .02042
	Na7 .32368 .25332 .47543 .01254
	Na8 .53007 .24815 .27562 .90 .01437
	Na9 .38295 -.27238 .43047 .91 .02453
	Na10 .12781 .74978 .17951 .01491
	Na11 .98501 .27302 .33573 .80 .02071
	Na12 .48787 .22765 -.17178 .90 .02836
	Na13 .08484 .22981 .23605 .66 .0242
	Na14 .72461 .25403 .07985 .81 .01986
	Na15 .93188 .24718 -.11657 .92 .01751
	Na16A .59083 .25046 -.28804 .35 .0245
	Na16B .67976 .24262 .64754 .53 .0495
	Al1 .79342 .40049 -.250217 .75 .01107
	Fe1 .79342 .40049 -.250217 .25 .01107
	Al2 .69418 .08221 -.157387 .90 .01052
	Fe2 .69418 .08221 -.157387 .10 .01052
	Al3 .57235 .41914 .525267 .00351
	Al4 .47268 -.09917 .117278 .80 .00208
	Fe4 .47268 -.09917 .117278 .20 .00208
	Al5 .37424 .59111 .221204 .85 .00431
	Fe5 .37424 .59111 .221204 .15 .00431
	Al6 .96999 .41537 .125472 .65 .00488
	Fe6 .96999 .41537 .125472 .35 .00488
	Al7 -.10993 -.09204 .146562 .60 .01560
	Fe7 -.10993 -.09204 .146562 .40 .01560
	Al8 .29549 .08434 .242488 .55 .01013
	Fe8 .29549 .08434 .242488 .45 .01013
	P1 .40451 .13325 .149780 .00270
	P2 .70158 .34239 -.146100 .00683
	P3 .30326 .34825 .254888 .01117
	P4 .60296 .13651 -.053852 .00400
	P5 .09267 .35153 .453335 .00817
	P6 .38566 .46182 .438171 .00596
	P7 .20642 .13427 .350232 .00983
	P8 .05772 .36556 .019263 .00412
	P9 .26631 .36545 -.183968 .00297
	P10 .18281 .53312 .137842 .00137
	P11 -.01870 .53721 .334166 .00215
	P12 .49317 .35141 .051195 .00500
	P13 .86100 .36353 .218308 .01234
	P14 .78064 .46884 .039804 .00417
	P15 .58530 .47681 .236910 .00742
	P16 .56115 .15930 .512140 .00521
	P17 .90598 .35024 -.338620 .00485
	P18 .35949 .15185 .706162 .00834
	P19 .17135 -.14968 .414128 .00700
	P20 .45191 .35655 .611792 .00828
	P21 .81359 .14265 -.244013 .00365
	P22 .28070 .03746 .533001 .01142
	P23 -.03808 .15713 .112944 .00717
	P24 .99974 .86526 .052822 .01038
	P25 .66273 .36195 .422512 .00906
	P26 .07963 -.03521 .228426 .01205
	P27 .48299 .03191 .328111 .00939
	P28 .77105 .15108 .315770 .00953
	P29 .87654 .03654 -.071562 .00686
	P30 .67863 .02137 .129560 .00855
	O1 .21674 -.03608 .55823 .00800
	O2 .30747 .52669 .45980 .00884
	O3 .55305 .24152 -.07716 .00662
	O4 .13792 .42569 -.00332 .0156
	O5 .26556 -.09814 .39878 .0161
	O6 .02764 .43360 .06233 .01349
	O7 .56643 .34517 .37922 .00524
	O8 .30991 .26048 -.16335 .01285
	O9 .10025 .25998 .03795 .01167
	O10 .96005 .35101 -.02412 .00439
	O11 .05505 .09923 .10029 .01215
	O12 .10441 .46673 .15967 .00723
	O13 .95140 .75988 .02974 .01015
	O14 .65420 .10117 .50142 .01293
	O15 .16566 .34821 -.22387 .00663
	O16 .34273 .41832 -.21353 .0158
	O17 .74498 .40956 -.18626 .00833
	O18 .35094 .34781 .57111 .00242
	O19 .52839 .41795 .58836 .00889
	O20 .69992 .53628 .05839 .01143
	O21 .24399 .43814 -.14169 .01137
	O22 .47675 .16285 .46343 .01086
	O23 .13444 .62318 .10132 .0145
	O24 .78532 .33406 -.09730 .01150
	O25 .74106 .42447 .40152 .0167
	O26 .93476 .42518 -.38113 .00639
	O27 .20255 -.25660 .43799 .01348
	O28 .41603 -.03911 .35302 .00676
	O29 .62840 .42879 .46387 .01291
	O30 .83757 .40431 .08445 .0160
	O31 .39359 .25942 .72939 .0148
	O32 .59542 .26980 .53243 .00873
	O33 .94045 .41976 .19318 .0153
	O34 .17881 .33998 .50054 .01211
	O35 .05775 .23797 .43070 .0172
	O36 .83398 .07894 -.29107 .00786
	O37 .35373 .23522 .12187 .00944
	O38 .13296 -.08505 .45456 .01144
	O39 .08643 -.15824 .36562 .00984
	O40 .82687 .44146 .25733 .0181
	O41 .38564 .33355 .30288 .0154
	O42 .66691 .22807 -.16540 .01098
	O43 .76580 .34054 .17681 .01007
	O44 .81219 -.03374 -.04447 .01054
	O45 .44443 .09943 .68411 .00792
	O46 .50033 .54248 .25414 .01367
	O47 .15971 .24161 .32926 .01223
	O48 -.09081 .47377 .36042 .00991
	O49 .86311 .09522 .30078 .0157
	O50 .62893 .41009 .28331 .0185
	O51 .33591 .37573 .40039 .01245
	O52 .60487 -.05228 .14905 .01168
	O53 .49222 .24690 .62693 .00701
	O54 .44568 .39669 .48218 .01333
	O55 .02075 -.09473 .18161 .0162
	O56 .72680 .07864 .35170 .0183
	O57 .99830 .33464 -.29590 .01162
	O58 -.00538 .26714 .13345 .0171
	O59 .24299 .59459 .18395 .00918
	O60 .92641 .12551 -.03418 .00932
	O61 .73557 .38117 .00046 .01432
	O62 .33624 .11596 .57466 .01071
	O63 .45508 .24769 .02116 .0178
	O64 .81893 .10055 -.11790 .00770
	O65 .84668 .54479 .01315 .01240
	O66 .01658 .03671 .25543 .01057
	O67 .80800 .25312 .34477 .01258
	O68 .57329 .32516 .09826 .0152
	O69 .24755 .45956 .11058 .00754
	O70 .44955 .53859 .41109 .01040
	O71 .65900 .55698 .21859 .00892
	O72 -.07492 .61498 .29190 .0135
	O73 .33097 .08621 .74854 .01115
	O74 .34429 .42177 .21548 .0146
	O75 .42731 .41867 .65698 .01288
	O76 .71743 .10078 .17361 .00970
	O77 .23472 .06822 .30574 .00835
	O78 .04399 .61567 .37223 .01322
	O79 .54787 .39828 .19414 .0222
	O80 .90513 .26569 .24341 .0202
	O81 .13094 .42505 .41315 .01287
	O82 .22005 .11377 .49369 .0182
	O83 .52108 .09972 .55400 .00873
	O84 .26508 .16070 .66199 .00867
	O85 -.08032 .09769 .15288 .0139
	O86 .12953 -.12225 .26584 .00674
	O87 .04835 .45882 .30885 .00978
	O88 .43619 .05660 .10980 .00436
	O89 .35092 -.02842 .50509 .00869
	O90 .16076 .03474 .20832 .01193
	O91 .70690 .25683 .44061 .0194
	O92 -.12272 .16204 .06349 .01157
	O93 .76983 .25342 -.26072 .0152
	O94 .42531 .09673 .28182 .01164
	O95 .53982 .42982 .01535 .00229
	O96 .52061 .07131 -.03253 .00336
	O97 .52904 .11732 .36690 .00860
	O98 -.00115 .40579 .46737 .00596
	O99 .39952 .40659 .06559 .00634
	O100 .09993 .84941 .09008 .01351
	O101 .69617 .15663 -.01354 .0191
	O102 .73065 .07875 -.22295 .00779
	O103 .95583 -.03388 -.09308 .01104
	O104 .63384 .06660 -.09710 .00571
	O105 .60822 .40277 -.13401 .01022
	O106 .31936 .07558 .17254 .00563
	O107 .12350 .07310 .37180 .00918
	O108 .91868 .92445 .07651 .00671
	O109 .68989 .17131 .26779 .0193
	O110 .91405 .15518 -.20477 .0152
	O111 .20808 .40305 .26748 .01288
	O112 .49662 .16456 .18931 .0166
	O113 .30233 .14815 .38997 .0151
	O114 .81511 .40349 -.31995 .0142
	O115 .02269 .93559 .00856 .01119
	O116 .56112 -.03936 .30709 .00565
	O117 .63717 .08731 .08159 .0147
	O118 .86856 .24001 -.36275 .01258
	O119 .76211 -.04835 .11325 .01068
	O120 .26863 .23497 .23250 .0172
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	Natrotantite
	Ercit T S, Hawthorne F C, Cerny P
	Bulletin de Mineralogie 108 (1985) 541-549
	Locality: synthetic
	The crystal structure of synthetic natrotantite
	_database_code_amcsd 0012086
	6.2092 6.2092 36.6190 90 90 120 R-3c
	atom x y z Biso
	Na 0 0 .3323 3.1
	Ta1 .3641 0 .25 3.14
	Ta2 0 0 0 3.36
	O1 .052 .414 .1975 2.2
	O2 .750 0 .25 3.6
	O3 0 0 .4074 1.8
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	Caryinite
	Ercit T S
	Mineralogical Magazine 57 (1993) 721-727
	Caryinite revisited
	Locality: Langban, Sweden
	_database_code_amcsd 0014503
	6.855 13.147 11.479 90 98.97 90 I2/a
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	CaX1 .0268 .0023 .5137 .62 .0170
	NaX1 .0268 .0023 .5137 .38 .0170
	NaX2 .25 .0246 0 .616 .0258 .0244 .0282 .0266 0 .0091 0
	PbX2 .25 .0246 0 .384 .0258 .0244 .0282 .0266 0 .0091 0
	CaM1 .25 .7350 0 .67 .0174 .0202 .0149 .0165 0 .0011 0
	MnM1 .25 .7350 0 .33 .0174 .0202 .0149 .0165 0 .0011 0
	MnM2 .0849 .1575 .2229 .72 .0170 .0158 .0178 .0176 .0008 .0030 -.0013
	MgM2 .0849 .1575 .2229 .28 .0170 .0158 .0178 .0176 .0008 .0030 -.0013
	As1 .25 .2836 0 .964 .0160 .0162 .0163 .0169 0 .0067 0
	P1 .25 .2836 0 .030 .0160 .0162 .0163 .0169 0 .0067 0
	V1 .25 .2836 0 .006 .0160 .0162 .0163 .0169 0 .0067 0
	As2 .1059 .8906 .2342 .964 .0158 .0152 .0162 .0171 .0004 .0059 -3
	P2 .1059 .8906 .2342 .030 .0158 .0152 .0162 .0171 .0004 .0059 -3
	V2 .1059 .8906 .2342 .006 .0158 .0152 .0162 .0171 .0004 .0059 -3
	O1 .0775 .2083 .0435 .0238 .0189 .0345 .0196 .0004 .0078 -.0105
	O2 .1591 .1272 .4019 .62 .0200
	O2' .1076 .1401 .4027 .38 .0200
	O3 .2745 .8326 .1644 .0209 .0169 .0193 .0285 -.0046 .0099 -.0008
	O4 .1902 .9076 .3786 .0238 .0273 .0257 .0191 -.0016 .0055 .0007
	O5 .1019 .3208 .2773 .0214 .0159 .0235 .0263 .00-7 .0074 .0005
	O6 .0520 .0021 .1635 .0220 .0248 .0172 .0248 .0024 .0065 -.0001
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	Hydroxykenomicrolite
	Ercit T S, Cerny P, Hawthorne F C
	Mineralogy and Petrology 48 (1993) 235-255
	Cesstibtantite - a geologic introduction to the inverse pyrochlores
	Locality: Leshaia pegmatite, Kola Peninsula, Russia
	Sample: KO-1
	_database_code_amcsd 0014636
	10.515 10.515 10.515 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Sb3+A .518 .518 .455 .0475 .0150
	NaA .518 .518 .455 .0258 .0150
	PbA .518 .518 .455 .0017 .0150
	Bi3+A .518 .518 .455 .0008 .0150
	TaB 0 0 0 .94 .0202 .0202 .0202 -.0040 -.0040 -.0040
	NbB 0 0 0 .06 .0202 .0202 .0202 -.0040 -.0040 -.0040
	Oo .314 .125 .125 .9483 .0212 .0233 .0233 0 0 .0043
	OHo .314 .125 .125 .0258 .0212 .0233 .0233 0 0 .0043
	Fo .314 .125 .125 .0258 .0212 .0233 .0233 0 0 .0043
	Csphi .375 .375 .375 .31 .0580
	OHphi .375 .375 .375 .345 .0580
	Fphi .375 .375 .375 .345 .0580
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	Hydroxykenomicrolite
	Ercit T S, Cerny P, Hawthorne F C
	Mineralogy and Petrology 48 (1993) 235-255
	Cesstibtantite - a geologic introduction to the inverse pyrochlores
	Loclity: Tanco pegmatite, Manitoba, Canada
	Sample: SMP 6
	_database_code_amcsd 0014637
	10.496 10.496 10.496 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	NaA .513 .513 .471 .0375 .0150
	Sb3+A .513 .513 .471 .0325 .0150
	PbA .513 .513 .471 .0117 .0150
	CaA .513 .513 .471 .005 .0150
	Bi3+A .513 .513 .471 .0017 .0150
	TaB 0 0 0 .975 .0098 .0098 .0098 -.0026 -.0026 -.0026
	NbB 0 0 0 .025 .0098 .0098 .0098 -.0026 -.0026 -.0026
	Oo .311 .125 .125 .9633 .0162 .0255 .0255 0 0 .0081
	OHo .311 .125 .125 .0183 .0162 .0255 .0255 0 0 .0081
	Fo .311 .125 .125 .0183 .0162 .0255 .0255 0 0 .0081
	Csphi .375 .375 .375 .22 .0370
	Kphi .375 .375 .375 .01 .0370
	OHphi .375 .375 .375 .275 .0370
	Fphi .375 .375 .375 .275 .0370
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	Kieserite
	Hawthorne F C, Groat L A, Raudsepp M, Ercit T S
	Neues Jahrbuch fur Mineralogie, Abhandlungen 157 (1987) 121-132
	Kieserite, Mg(SO4)(H2O), a titanite-group mineral
	Locality: Wathlingen, Hanover, Germany
	_database_code_amcsd 0014714
	6.891 7.624 7.645 90 117.70 90 C2/c
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Mg 0 .5 0 .0095 .0081 .0098 .0101 -.0005 .0038 .0004
	S 0 .15490 .25 .0079 .0059 .0077 .0092 0 .0029 0
	O1 .1761 .0447 .3943 .0146 .0093 .0156 .0171 .0037 .0046 .0065
	O2 .0916 .2676 .1491 .0128 .0121 .0125 .0167 .0012 .0092 .0043
	Ow3 0 .6353 .25 .0120 .010 .0136 .0119 0 .0047 0
	H .120 .693 .296 .0100
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	Povondraite
	Grice J D, Ercit T S
	Neues Jahrbuch fur Mineralogie, Abhandlungen 165 (1993) 245-266
	Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula
	Sample: Povondraite 144478
	Locality: San Francisco mine, Villa Tu nari, Bolivia
	_database_code_amcsd 0018783
	16.186 16.186 7.444 90 90 120 R3m
	atom x y z occ Uiso
	NaX 0 0 .228 .79 .0273
	KX 0 0 .228 .26 .0273
	MgY .12238 .06119 .6430 .0167 .0064
	Fe2Y .12238 .06119 .6430 .1433 .0064
	VY .12238 .06119 .6430 .0033 .0064
	Fe3Y .12238 .06119 .6430 .8367 .0064
	AlZ .2987 .2627 .6124 .0533 .0057
	Fe3Z .2987 .2627 .6124 .6467 .0057
	MgZ .2987 .2627 .6124 .3 .0057
	SiT .1892 .1876 0 .99 .0061
	BT .1892 .1876 0 .01 .0061
	B .1097 .2194 .456 .0086
	O1 0 0 .772 .70 .0073
	OH1 0 0 .772 .30 .0073
	O2 .0609 .1218 .491 .0094
	O3 .2578 .1289 .513 .0088
	O4 .0924 .1848 .069 .0108
	O5 .1826 .0913 .087 .0099
	O6 .1923 .1829 .784 .0081
	O7 .2810 .2813 .075 .0096
	O8 .2069 .2678 .442 .0101
	H3 .242 .121 .41 .0100
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	Schorl
	Grice J D, Ercit T S
	Neues Jahrbuch fur Mineralogie, Abhandlungen 165 (1993) 245-266
	Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula
	Sample: Schorl 2672
	Locality: Silver Crater, Hastings Co., Ontario, Canada
	_database_code_amcsd 0018784
	16.073 16.073 7.306 90 90 120 R3m
	atom x y z occ Uiso
	NaX 0 0 .2301 .99 .0267
	CaX 0 0 .2301 .01 .0267
	Fe2Y .12356 .06178 .63534 .756 .0090
	MgY .12356 .06178 .63534 .237 .0090
	VY .12356 .06178 .63534 .007 .0090
	AlZ .29853 .26198 .61195 .57 .0061
	Fe3Z .29853 .26198 .61195 .26 .0061
	MgZ .29853 .26198 .61195 .093 .0061
	TiZ .29853 .26198 .61195 .067 .0061
	SiT .19081 .18917 0 .0064
	B .1101 .2202 .4554 .0092
	O1 0 0 .7800 .0202
	O2 .06145 .1229 .4844 .0108
	O3 .2658 .13290 .5122 .0138
	O4 .09252 .18504 .0686 .0113
	O5 .18348 .09174 .0875 .0110
	O6 .19557 .1864 .7806 .0101
	O7 .28323 .28328 .0783 .0109
	O8 .20850 .2696 .4422 .0124
	H1 0 0 .655 .6 .01
	H3 .254 .127 .416 .01
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	Shorl
	Grice J D, Ercit T S
	Neues Jahrbuch fur Mineralogie, Abhandlungen 165 (1993) 245-266
	Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula
	Sample: Shorl 49356
	Locality: York River, Hastings Co., Ontario, Canada
	_database_code_amcsd 0018785
	15.990 15.990 7.195 90 90 120 R3m
	atom x y z occ Uiso
	NaX 0 0 .2307 .96 .0301
	Fe2Y .12374 .06187 .6326 .633 .0081
	AlY .12374 .06187 .6326 .21 .0081
	MgY .12374 .06187 .6326 .15 .0081
	LiY .12374 .06187 .6326 .007 .0081
	AlZ .29846 .26179 .6111 .935 .0048
	Fe2Z .29846 .26179 .6111 .0067 .0048
	MgZ .29846 .26179 .6111 .0416 .0048
	TiZ .29846 .26179 .6111 .0167 .0048
	SiT .19184 .18998 0 .967 .0048
	BT .19184 .18998 0 .015 .0048
	TiT .19184 .18998 0 .018 .0048
	B .1102 .2204 .4542 .0072
	OH1 0 0 .7784 .41 .0246
	F1 0 0 .7784 .19 .0246
	O1 0 0 .7784 .40 .0246
	O2 .06152 .12304 .4836 .0117
	O3 .2674 .1337 .5114 .0131
	O4 .09285 .1857 .0686 .0097
	O5 .1851 .09255 .0906 .0095
	O6 .1971 .1871 .7762 .0085
	O7 .2851 .2852 .0788 .0085
	O8 .2095 .2701 .4412 .0095
	H3 .260 .130 .415 .0100
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	Schorl
	Grice J D, Ercit T S
	Neues Jahrbuch fur Mineralogie, Abhandlungen 165 (1993) 245-266
	Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula
	Sample: Schorl CROSS
	Locality: Cross Lake, Manitoba, Canada
	_database_code_amcsd 0018786
	15.972 15.972 7.160 90 90 120 R3m
	atom x y z occ Uiso
	NaX 0 0 .2257 .49 .0298
	Fe2Y .12304 .06152 .6299 .626 .0096
	AlY .12304 .06152 .6299 .207 .0096
	LiY .12304 .06152 .6299 .03 .0096
	MgY .12304 .06152 .6299 .057 .0096
	MnY .12304 .06152 .6299 .027 .0096
	ZnY .12304 .06152 .6299 .053 .0096
	AlZ .29827 .26162 .6105 .962 .0054
	FeZ .29827 .26162 .6105 .038 .0054
	SiT .19178 .18989 0 .983 .0049
	BT .19178 .18989 0 .017 .0049
	B .1102 .2204 .4538 .0082
	OH1 0 0 .7809 .65 .0328
	O1 0 0 .7809 .35 .0328
	O2 .06181 .12362 .4840 .0142
	O3 .2682 .1341 .5109 .0121
	O4 .09328 .18656 .0682 .0092
	O5 .18662 .09331 .0901 .0092
	O6 .1977 .1876 .7759 .0086
	O7 .2850 .2854 .0785 .0081
	O8 .2098 .2707 .4408 .0095
	H3 .264 .132 .416 .01
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	Fluor-buergerite
	Grice J D, Ercit T S
	Neues Jahrbuch fur Mineralogie, Abhandlungen 165 (1993) 245-266
	Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula
	Sample: Buergerite 43293
	Locality: Mapimi, Durango, Mexico
	_database_code_amcsd 0018787
	15.874 15.874 7.196 90 90 120 R3m
	atom x y z occ Uiso
	NaX 0 0 .2154 .88 .0242
	CaX 0 0 .2154 .04 .0242
	Fe3Y .13246 .06623 .6223 .55 .0119
	AlY .13246 .06623 .6223 .3033 .0119
	Fe2Y .13246 .06623 .6223 .1267 .0119
	MgY .13246 .06623 .6223 .02 .0119
	AlZ .29865 .25865 .6044 .9167 .0067
	FeZ .29865 .25865 .6044 .0833 .0067
	SiT .19151 .19048 0 .9717 .0054
	BT .19151 .19048 0 .0167 .0054
	TiT .19151 .19048 0 .0117 .0054
	B .1101 .2202 .4523 .0075
	F1 0 0 .7681 .74 .0181
	O1 0 0 .7681 .26 .0181
	O2 .06047 .12094 .4863 .0090
	O3 .26358 .13179 .5205 .55 .0090
	OH3 .26358 .13179 .5205 .45 .0090
	O4 .09452 .18904 .0754 .0094
	O5 .18232 .09116 .0846 .0101
	O6 .1928 .1865 .7751 .0081
	O7 .2868 .2860 .0750 .0077
	O8 .2095 .2700 .4385 .0077
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	Feruvite
	Grice J D, Ercit T S
	Neues Jahrbuch fur Mineralogie, Abhandlungen 165 (1993) 245-266
	Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula
	Sample: Feruvite 53776
	Locality: Cuvier Island, New Zealand
	_database_code_amcsd 0018788
	16.000 16.000 7.248 90 90 120 R3m
	atom x y z occ Uiso
	CaX 0 0 .2222 .62 .0177
	NaX 0 0 .2222 .4 .0177
	Fe2Y .12298 .06149 .63661 .42 .0095
	MgY .12298 .06149 .63661 .4067 .0095
	AlY .12298 .06149 .63661 .0267 .0095
	Fe3Y .12298 .06149 .63661 .1467 .0095
	AlZ .29832 .26167 .6113 .7867 .0067
	MgZ .29832 .26167 .6113 .1367 .0067
	Fe3Z .29832 .26167 .6113 .0467 .0067
	TiZ .29832 .26167 .6113 .03 .0067
	SiT .19151 .18985 0 .9617 .0060
	BT .19151 .18985 0 .02 .0060
	TiT .19151 .18985 0 .0167 .0060
	B .1100 .2200 .4518 .0084
	O1 0 0 .7812 .0190
	O2 .0607 .1214 .4764 .0116
	O3 .2660 .1330 .5125 .0141
	O4 .0919 .1838 .0710 .0114
	O5 .1814 .0907 .0902 .0111
	O6 .1953 .1862 .7789 .0098
	O7 .2842 .2835 .0789 .0105
	O8 .2088 .2695 .4411 .0123
	H1 0 0 .725 .60 .01
	H3 .258 .129 .412 .01
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	Dravite
	Grice J D, Ercit T S
	Neues Jahrbuch fur Mineralogie, Abhandlungen 165 (1993) 245-266
	Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula
	Sample: Dravite 43167
	Locality: Moctezuma, Sonora, Mexico
	_database_code_amcsd 0018789
	15.960 15.960 7.238 90 90 120 R3m
	atom x y z occ Uiso
	NaX 0 0 .2366 .77 .0241
	CaX 0 0 .2366 .18 .0241
	MgY .12392 .06196 .6346 .4667 .0071
	AlY .12392 .06196 .6346 .14 .0071
	Fe2Y .12392 .06196 .6346 .07 .0071
	Fe3Y .12392 .06196 .6346 .3233 .0071
	AlZ .29810 .26164 .6122 .8417 .0062
	FeZ .29810 .26164 .6122 .0817 .0062
	MgZ .29810 .26164 .6122 .0767 .0062
	SiT .19154 .18981 0 .9633 .0060
	BT .19154 .18981 0 .0283 .0060
	TiT .19154 .18981 0 .0083 .0060
	B .1099 .2198 .4549 .0090
	OH1 0 0 .773 .600 .0178
	O1 0 0 .773 .400 .0178
	O2 .0613 .1226 .4861 .0128
	O3 .2636 .1318 .5126 .0137
	O4 .0930 .1860 .0696 .0121
	O5 .1840 .0920 .0904 .0110
	O6 .1957 .1858 .7783 .0100
	O7 .2846 .2846 .0791 .0103
	O8 .2092 .2695 .4416 .0117
	H3 .254 .127 .401 .0150
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	Fluor-dravite
	Grice J D, Ercit T S
	Neues Jahrbuch fur Mineralogie, Abhandlungen 165 (1993) 245-266
	Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula
	Sample: Dravite 32008
	Locality: Bronson Station, Hastings Co., Ontario, Canada
	_database_code_amcsd 0018790
	15.981 15.981 7.210 90 90 120 R3m
	atom x y z occ Uiso
	NaX 0 0 .2271 .55 .0169
	CaX 0 0 .2271 .35 .0169
	MgY .12388 .06194 .6334 .63 .0076
	LiY .12388 .06194 .6334 .013 .0076
	Fe2Y .12388 .06194 .6334 .15 .0076
	Fe3Y .12388 .06194 .6334 .2033 .0076
	AlZ .29802 .26169 .6124 .9117 .0049
	FeZ .29802 .26169 .6124 .0067 .0049
	MgZ .29802 .26169 .6124 .0767 .0049
	TiZ .29802 .26169 .6124 .005 .0049
	SiT .19178 .19007 0 .9967 .0047
	TiT .19178 .19007 0 .0033 .0047
	B .1098 .2196 .4531 .0070
	F1 0 0 .7766 .44 .0156
	OH1 0 0 .7766 .21 .0156
	O1 0 0 .7766 .35 .0156
	O2 .06095 .1219 .4782 .0101
	O3 .26726 .13363 .5122 .0111
	O4 .09254 .18508 .0706 .0091
	O5 .1828 .09140 .0913 .0096
	O6 .1962 .1869 .7779 .0084
	O7 .28486 .28434 .0802 .0083
	O8 .2095 .2702 .4422 .0094
	H3 .260 .130 .409 .0100
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	Fluor-dravite
	Grice J D, Ercit T S
	Neues Jahrbuch fur Mineralogie, Abhandlungen 165 (1993) 245-266
	Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula
	Sample: Dravite 43873
	Locality: Pierrepont, St, Lawrence Co., New York, USA
	_database_code_amcsd 0018791
	15.999 15.999 7.236 90 90 120 R3m
	atom x y z occ Uiso
	NaX 0 0 .2298 .713 .0200
	CaX 0 0 .2298 .301 .0200
	MgY .12428 .06214 .6336 .74 .0076
	Fe2Y .12428 .06214 .6336 .03 .0076
	Fe3Y .12428 .06214 .6336 .23 .0076
	AlZ .29811 .26179 .6125 .8817 .0052
	Fe3Z .29811 .26179 .6125 .0367 .0052
	MgZ .29811 .26179 .6125 .08 .0052
	SiT .19173 .18998 0 .99 .0052
	TiT .19173 .18998 0 .01 .0052
	B .1098 .2196 .4538 .0069
	F1 0 0 .7748 .42 .0138
	OH1 0 0 .7748 .28 .0138
	O1 0 0 .7748 .30 .0138
	O2 .06092 .12184 .4798 .0103
	O3 .26654 .13327 .5123 .0114
	O4 .09252 .18504 .0706 .0096
	O5 .1826 .09130 .0905 .0098
	O6 .1961 .1867 .7783 .0088
	O7 .2848 .2843 .0801 .0091
	O8 .2094 .2699 .4418 .0101
	H3 .262 .131 .409 .0100
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	Dravite
	Grice J D, Ercit T S
	Neues Jahrbuch fur Mineralogie, Abhandlungen 165 (1993) 245-266
	Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula
	Sample: Dravite 43230
	Locality: Yinnietharra, Western Australia
	_database_code_amcsd 0018792
	15.941 15.941 7.201 90 90 120 R3m
	atom x y z occ Uiso
	NaX 0 0 .2368 .82 .0214
	CaX 0 0 .2368 .09 .0214
	MgY .12484 .06242 .6325 .7433 .0108
	AlY .12484 .06242 .6325 .233 .0108
	LiY .12484 .06242 .6325 .0007 .0108
	Fe2Y .12484 .06242 .6325 .01 .0108
	Fe3Y .12484 .06242 .6325 .01 .0108
	AlZ .29795 .26162 .6121 .9017 .0046
	MgZ .29795 .26162 .6121 .0833 .0046
	TiZ .29795 .26162 .6121 .015 .0046
	SiT .19182 .18993 0 .9833 .0052
	BT .19182 .18993 0 .0133 .0052
	TiT .19182 .18993 0 .0033 .0052
	B .1098 .2196 .4545 .0063
	OH1 0 0 .7720 .58 .0108
	F1 0 0 .7720 .17 .0108
	O1 0 0 .7720 .25 .0108
	O2 .06098 .1220 .4850 .0112
	O3 .26438 .13219 .5112 .0123
	O4 .09317 .18634 .0700 .0102
	O5 .18362 .09181 .0914 .0104
	O6 .1957 .1856 .7768 .0091
	O7 .2850 .28475 .0790 .0084
	O8 .2096 .2702 .4410 .0096
	H3 .262 .131 .406 .0100
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	Fluor-uvite
	Grice J D, Ercit T S
	Neues Jahrbuch fur Mineralogie, Abhandlungen 165 (1993) 245-266
	Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula
	Sample: Uvite 52210
	Locality: Gouverneur, St. Lawrence Co., New York, USA
	_database_code_amcsd 0018793
	15.973 15.973 7.213 90 90 120 R3m
	atom x y z occ Uiso
	CaX 0 0 .2291 .54 .0124
	NaX 0 0 .2291 .42 .0124
	MgY .12626 .06313 .6292 1.003 .0075
	LiY .12626 .06313 .6292 .002 .0075
	Fe3Y .12626 .06313 .6292 .0067 .0075
	AlZ .29802 .26166 .6135 .91 .0056
	MgZ .29802 .26166 .6135 .0833 .0056
	TiZ .29802 .26166 .6135 .0083 .0056
	SiT .19190 .19017 0 .9983 .0052
	TiT .19190 .19017 0 .0017 .0052
	B .1098 .2196 .4524 .0070
	F1 0 0 .7743 .62 .0097
	OH1 0 0 .7743 .33 .0097
	O1 0 0 .7743 .05 .0097
	O2 .06082 .12164 .4761 .0095
	O3 .26772 .13386 .5118 .0105
	O4 .09232 .18464 .0716 .0096
	O5 .1820 .09100 .0914 .0099
	O6 .19604 .18700 .7781 .0083
	O7 .2850 .28433 .0812 .0086
	O8 .2097 .2702 .4427 .0096
	H3 .262 .131 .403 .0100
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Fluor-elbaite
	Grice J D, Ercit T S
	Neues Jahrbuch fur Mineralogie, Abhandlungen 165 (1993) 245-266
	Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula
	Sample: Elbaite 55224
	Locality: Minas Gerais, Brazil
	_database_code_amcsd 0018794
	15.846 15.846 7.119 90 90 120 R3m
	atom x y z occ Uiso
	NaX 0 0 .2339 .66 .0252
	CaX 0 0 .2339 .03 .0252
	AlY .93857 .06143 .6298 .51 .0096
	LiY .93857 .06143 .6298 .34 .0096
	MnY .93857 .06143 .6298 .13 .0096
	FeY .93857 .06143 .6298 .01 .0096
	AlZ .29710 .26043 .6106 .0065
	SiT .19196 .18989 0 .97 .0054
	BT .19196 .18989 0 .03 .0054
	B .1093 .8907 .4541 .0074
	F1 -.0095 .0095 .7818 .21 .0074
	OH1 -.0095 .0095 .7818 .11 .0074
	O1 -.0095 .0095 .7818 .01 .0074
	O2 .06088 .93912 .4856 .0171
	O3 .2668 .1334 .5095 .0124
	O4 .09335 .1867 .0711 .0093
	O5 .18708 .09354 .0941 .0098
	O6 .1965 .1862 .7742 .0083
	O7 .2862 .2860 .0789 .0074
	O8 .2097 .2703 .4401 .0087
	H3 .266 .133 .417 .002
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