Bannermanite
	Hughes J M, Finger L W
	American Mineralogist 68 (1983) 634-641
	Bannermanite, a new sodium-potassium vanadate isostructural with beta-Na_xV6O15
	_database_code_amcsd 0000903
	15.413 3.615 10.066 90 109.29 90 C2/m
	atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Na .002 0 .411 .38 .0017 .04 .006 0 .001 0
	V1 .3370 0 .1030 .0011 .009 .0029 0 .0012 0
	V2 .1163 0 .1176 .0008 .007 .0020 0 .0008 0
	V3 .2873 0 .4100 .0013 .014 .0024 0 .0010 0
	O1 0 0 0 .0020 .007 .004 0 .0006 0
	O2 .8171 0 .058 .0017 .004 .003 0 .0017 0
	O3 .6342 0 .078 .0014 .012 .004 0 .0022 0
	O4 .4354 0 .218 .0021 .03 .003 0 .0006 0
	O5 .2618 0 .221 .0017 .04 .002 0 .0012 0
	O6 .1070 0 .272 .0014 .020 .005 0 .0019 0
	O7 .7554 0 .426 .0037 .002 .003 0 .0027 0
	O8 .3952 0 .469 .0020 .06 .004 0 .0012 0
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	Blossite
	Robinson P D, Hughes J M, Malinconico M L
	American Mineralogist 72 (1987) 397-400
	Blossite, alpha-Cu2V2O7, a new fumarolic sublimate from Izalco volcano, El Salvador
	- data obtained by personal communication, May 2003.
	_database_code_amcsd 0001075
	20.676 8.392 6.446 90 90 90 Fdd2
	atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Cu .1659 .3639 3/4 .00077 .0085 .0022 -.00165 .00042 -.0010
	V .1988 .4052 .2328 .00025 .0037 .0020 .00010 -.00015 .0005
	O1 .1616 .3483 .4532 1.4
	O2 .2454 .5616 .2676 1.9
	O3 .1440 .4358 .0283 1.0
	O4 1/4 1/4 .1543 2.9
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	Lyonsite
	Hughes J M, Starkey S J, Malinconico M L, Malinconico L L
	American Mineralogist 72 (1987) 1000-1005
	Lyonsite, Cu3Fe4(VO4)6, a new fumarolic sublimate from Izalco
	volcano, El Salvador: Descriptive mineralogy and crystal structure
	_database_code_amcsd 0001127
	10.296 17.207 4.910 90 90 90 Pmcn
	atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Cu1 .75 .7497 .9080 .59 .0017 .00064 .071 0 0 .0026
	Cu2 .25 .82189 .2113 .00219 .00151 .0131 0 0 -.0039
	Fe .42409 .97289 .2476 .00136 .00034 .0044 .00007 -.0002 -.0002
	V1 .25 .05727 -.2293 .0026 .00082 .0083 0 0 .0006
	V2 .4716 .84431 .7208 .00191 .00067 .0073 .00039 -.0002 -.0001
	O1 .6129 .7959 .6585 .0033 .0007 .013 .0003 .001 .0006
	O2 .3859 .8739 .4245 .0026 .0009 .009 -.0005 -.002 -.0018
	O3 .25 .9940 .053 .0044 .0013 .011 0 0 -.001
	O4 .3849 .0358 .5747 .0051 .0010 .011 -.0009 .004 -.0017
	O5 .5054 .9272 .9130 .0025 .0009 .011 .0003 .001 .0013
	O6 .75 .6531 .656 .0033 .0015 .012 0 0 .001
	O7 .3766 .7917 -.0738 .0034 .0010 .012 .0011 .002 -.0010
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	Howardevansite
	Hughes J M, Drexler J W, Campana C F, Malinconico M L
	American Mineralogist 73 (1988) 181-186
	Howardevansite, NaCuFe2(VO4)3, a new fumarolic sublimate from
	Izalco volcano, El Salvador: Descriptive mineralogy and crystal structure
	Note: Displacement ellipsoid for Na1 is not positive-definite
	_database_code_amcsd 0001138
	8.198 9.773 6.6510 103.82 101.99 106.74 P-1
	atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Cu .78675 .79562 .7765 .00664 .00777 .0072 .00445 .00395 .00525
	Fe1 .54817 .39238 .1191 .0037 .00217 .0040 .00145 .0017 .00145
	Fe2 .29616 .98522 .4553 .0037 .00238 .0052 .0012 .0016 .0014
	V1 .4101 .66723 .3893 .0033 .00146 .0035 .0010 .00145 .00095
	V2 .8383 .73926 .2755 .0029 .00186 .0030 .0010 .00145 .0009
	V3 .7710 .12589 .0913 .0029 .00194 .0029 .00115 .0015 .00115
	Na1 0 .5 .5 .0026 .0314 .0514 .0115 .0144 .0407
	Na2 .0234 .5509 -.016 .5 .0089 .0130 .0083 .0065 -.00345 -.0035
	O1 .4450 .8570 .4201 .0022 .0017 .0059 .00125 .001 .0007
	O2 .4821 .3502 .3713 .0048 .0034 .0049 .0011 .002 .00225
	O3 .8014 .5556 .2637 .0056 .0033 .0086 .0021 .003 .00225
	O4 .2201 .1642 .5035 .0061 .0036 .0040 .0031 .003 .00255
	O5 .2729 .0075 .1599 .0068 .0040 .0045 .00285 .0025 .00275
	O6 .4729 .5794 .1701 .0067 .0020 .0032 .00195 .002 .00115
	O7 .7287 .7421 .0244 .0056 .0039 .0054 .00235 .0025 .00235
	O8 .0552 .8210 .3184 .0040 .0040 .0080 -.0003 .002 .0015
	O9 .1981 .5800 .3385 .0037 .0040 .016 .00055 .000 .0025
	O10 .9907 .2365 .1897 .0039 .0061 .0080 .0004 .0005 .0025
	O11 .7176 .0361 .2674 .0079 .0044 .0042 .0019 .003 .0022
	O12 .6592 .2444 .0678 .0065 .0042 .0074 .0036 .0015 .001
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	Fluorapatite
	Hughes J M, Cameron M, Crowley K D
	American Mineralogist 74 (1989) 870-876
	Structural variations in natural F, OH, and Cl apatites
	Locality: Durango Mexico
	_database_code_amcsd 0001256
	9.3973 9.3973 6.8782 90 90 120 P6_3/m
	atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Ca1 2/3 1/3 .0010 .00394 .00394 0.0033 .00197 0 0
	Ca2 -.00712 .24227 .25 .00256 .00361 0.0034 .001495 0 0
	P .36895 .39850 .25 .00208 .00231 0.0032 .00125 0 0
	O1 .4849 .3273 .25 0.0037 0.0044 0.0055 .00265 0 0
	O2 .4667 .5875 .25 0.0038 0.0030 0.0088 0.0014 0 0
	O3 .2575 .3421 .0705 0.0043 0.0077 0.0055 0.0038 -.0016 -.0026
	F 0 0 .25 0.0029 0.0029 0.0022 .00145 0 0
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	Hydroxylapatite
	Hughes J M, Cameron M, Crowley K D
	American Mineralogist 74 (1989) 870-876
	Structural variations in natural F, OH, and Cl apatites
	Locality: Holly Springs, Georgia, USA
	_database_code_amcsd 0001257
	9.4166 9.4166 6.8745 90 90 120 P6_3/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)
	Ca1 2/3 1/3 .00144 .00408 .00408 0.0033 .00204 0 0
	Ca2 -.00657 .24706 .25 .00308 .00353 .00417 .00156 0 0
	P .36860 .39866 .25 .00223 .00250 0.0034 .00127 0 0
	O1 .4850 .3289 .25 0.0036 0.0044 0.0059 .0027 0 0
	O2 .4649 .5871 .25 0.0035 0.0031 0.0105 .0016 0 0
	O3 .2580 .3435 .0703 0.0050 0.0096 0.0070 .00505 -.0025 -.0041
	O(H) 0 0 .1979 .5 0.0030 0.0030 0.012 .0015 0 0
	H 0 0 .04 .5 3.3
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	Chlorapatite
	Hughes J M, Cameron M, Crowley K D
	American Mineralogist 74 (1989) 870-876
	Structural variations in natural F, OH, and Cl apatites
	Locality: Kragero, Norway
	_database_code_amcsd 0001258
	9.598 9.598 6.776 90 90 120 P6_3/m
	atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Ca1 2/3 1/3 .0027 .00462 .00462 0.0023 .00231 0 0
	Ca2 .00112 .25763 .25 .00449 .00526 0.0037 .00228 0 0
	P .37359 .40581 .25 .00310 .00330 0.0034 .00184 0 0
	O1 .4902 .3403 .25 0.0059 0.0075 0.0054 0.0051 0 0
	O2 .4654 .5908 .25 0.0049 0.0036 0.0109 0.0020 0 0
	O3 .2655 .3522 .0684 0.0062 0.0113 0.0076 .00595 -.0035 -.00545
	Cl 0 0 .4323 .44 0.0056 0.0056 0.027 0.0028 0 0
	F 0 0 .25 .12
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	Apatite-(CaF)
	Hughes J M, Cameron M, Crowley K D
	American Mineralogist 74 (1989) 870-876
	Structural variations in natural F, OH, and Cl apatites
	Locality: Durango Mexico
	_database_code_amcsd 0001259
	9.3973 9.3973 6.8782 90 90 120 P6_3/m
	atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Ca1 2/3 1/3 .0010 .00394 .00394 0.0033 .00197 0 0
	Ca2 -.00712 .24227 .25 .00256 .00361 0.0034 .001495 0 0
	P .36895 .39850 .25 .00208 .00231 0.0032 .00125 0 0
	O1 .4849 .3273 .25 0.0037 0.0044 0.0055 .00265 0 0
	O2 .4667 .5875 .25 0.0038 0.0030 0.0088 0.0014 0 0
	O3 .2575 .3421 .0705 0.0043 0.0077 0.0055 0.0038 -.0016 -.0026
	F 0 0 .25 0.0029 0.0029 0.0022 .00145 0 0
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	Apatite-(CaOH)
	Hughes J M, Cameron M, Crowley K D
	American Mineralogist 74 (1989) 870-876
	Structural variations in natural F, OH, and Cl apatites
	Locality: Holly Springs, Georgia, USA
	_database_code_amcsd 0001260
	9.4166 9.4166 6.8745 90 90 120 P6_3/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)
	Ca1 2/3 1/3 .00144 .00408 .00408 0.0033 .00204 0 0
	Ca2 -.00657 .24706 .25 .00308 .00353 .00417 .00156 0 0
	P .36860 .39866 .25 .00223 .00250 0.0034 .00127 0 0
	O1 .4850 .3289 .25 0.0036 0.0044 0.0059 .0027 0 0
	O2 .4649 .5871 .25 0.0035 0.0031 0.0105 .0016 0 0
	O3 .2580 .3435 .0703 0.0050 0.0096 0.0070 .00505 -.0025 -.0041
	O(H) 0 0 .1979 .5 0.0030 0.0030 0.012 .0015 0 0
	H 0 0 .04 .5 3.3
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	Apatite-(CaCl)
	Hughes J M, Cameron M, Crowley K D
	American Mineralogist 74 (1989) 870-876
	Structural variations in natural F, OH, and Cl apatites
	Locality: Kragero, Norway
	_database_code_amcsd 0001261
	9.598 9.598 6.776 90 90 120 P6_3/m
	atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Ca1 2/3 1/3 .0027 .00462 .00462 0.0023 .00231 0 0
	Ca2 .00112 .25763 .25 .00449 .00526 0.0037 .00228 0 0
	P .37359 .40581 .25 .00310 .00330 0.0034 .00184 0 0
	O1 .4902 .3403 .25 0.0059 0.0075 0.0054 0.0051 0 0
	O2 .4654 .5908 .25 0.0049 0.0036 0.0109 0.0020 0 0
	O3 .2655 .3522 .0684 0.0062 0.0113 0.0076 .00595 -.0035 -.00545
	Cl 0 0 .4323 .44 0.0056 0.0056 0.027 0.0028 0 0
	F 0 0 .25 .12
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	Fluorapatite
	Hughes J M, Cameron M, Crowley K D
	American Mineralogist 75 (1990) 295-304
	Crystal structures of natural ternary apatites: Solid solution in the
	Ca5(PO4)3X (X = F,OH,Cl) system
	_database_code_amcsd 0001290
	9.4615 9.4615 6.8491 90 90 120 P6_3/m
	atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Ca1 2/3 1/3 .0018 .00417 .00417 0.0037 .002085 0 0
	Ca2A -.00699 .23861 .25 .890 .00271 .00132 0.0042 .0009 0 0
	Ca2B -.0018 .2709 .25 .110 0.0032 0.0002 0.0037 .0003 0 0
	P .36968 .40053 .25 .00258 .00271 0.0038 .0016 0 0
	O1 .4862 .3315 .25 0.0043 0.0055 0.0057 .00365 0 0
	O2 .4651 .5884 .25 0.0052 0.0030 0.0110 .00215 0 0
	O3 .2597 .3450 .0699 0.0052 0.0106 0.0068 .0053 -.0026 -.00405
	F 0 0 .25 .390 0.0029 0.0029 0.0220 .00145 0 0
	OH 0 0 .200 .140 0.0030 0.0030 0.0120 .0015 0 0
	ClB 0 0 .368 .082 0.0056 0.0056 0.0270 .0028 0 0
	ClA 0 0 .44 .083 0.0056 0.0056 0.0270 .0028 0 0
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	Chlorapatite
	Hughes J M, Cameron M, Crowley K D
	American Mineralogist 75 (1990) 295-304
	Crystal structures of natural ternary apatites: Solid solution in the
	Ca5(PO4)3X (X = F,OH,Cl) system
	_database_code_amcsd 0001291
	9.4877 18.9628 6.8224 90 90 119.9739 P2_1/b
	atom x y z occ Biso
	Ca11 .3313 .58243 .0020 1.14
	Ca12 .3356 .58434 .4980 1.51
	Ca21 .2511 .24809 .2498 1.48
	Ca22 -.0038 .62258 .7492 1.48
	Ca23 .2550 .37554 .7503 1.49
	P1 .4018 .43534 .2505 1.01
	P2 .6292 .26557 .2508 1.02
	P3 .0312 .45093 .7502 1.02
	O11 .3346 .4939 .2510 1.41
	O12 .4880 .3268 .7511 1.41
	O13 .1534 .5829 .2492 1.41
	O21 .5894 .4825 .2465 1.63
	O22 .5346 .3121 .2490 1.62
	O23 .1242 .5447 .7476 1.60
	O31 .3441 .3800 .0709 2.00
	O32 .7399 .2926 .0710 1.89
	O33 .0846 .4217 .5710 1.93
	O34 .3508 .3817 .4331 2.00
	O35 .7365 .2932 .4329 2.10
	O36 .0865 .4258 .9338 2.05
	ClB .000 .2507 .130 .235 1.39
	ClA .0000 .2494 .4345 .235 1.22
	F .0000 .2502 .237 .290 1.40
	OH .0006 .2498 .340 .240 0.14
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	Apatite-(CaF)
	Hughes J M, Cameron M, Crowley K D
	American Mineralogist 75 (1990) 295-304
	Crystal structures of natural ternary apatites: Solid solution in the
	Ca5(PO4)3X (X = F,OH,Cl) system
	_database_code_amcsd 0001292
	9.4615 9.4615 6.8491 90 90 120 P6_3/m
	atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Ca1 2/3 1/3 .0018 .00417 .00417 0.0037 .002085 0 0
	Ca2A -.00699 .23861 .25 .890 .00271 .00132 0.0042 .0009 0 0
	Ca2B -.0018 .2709 .25 .110 0.0032 0.0002 0.0037 .0003 0 0
	P .36968 .40053 .25 .00258 .00271 0.0038 .0016 0 0
	O1 .4862 .3315 .25 0.0043 0.0055 0.0057 .00365 0 0
	O2 .4651 .5884 .25 0.0052 0.0030 0.0110 .00215 0 0
	O3 .2597 .3450 .0699 0.0052 0.0106 0.0068 .0053 -.0026 -.00405
	F 0 0 .25 .390 0.0029 0.0029 0.0220 .00145 0 0
	OH 0 0 .200 .140 0.0030 0.0030 0.0120 .0015 0 0
	ClB 0 0 .368 .082 0.0056 0.0056 0.0270 .0028 0 0
	ClA 0 0 .44 .083 0.0056 0.0056 0.0270 .0028 0 0
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	Apatite-(CaCl)
	Hughes J M, Cameron M, Crowley K D
	American Mineralogist 75 (1990) 295-304
	Crystal structures of natural ternary apatites: Solid solution in the
	Ca5(PO4)3X (X = F,OH,Cl) system
	_database_code_amcsd 0001293
	9.4877 18.9628 6.8224 90 90 119.9739 P2_1/b
	atom x y z occ Biso
	Ca11 .3313 .58243 .0020 1.14
	Ca12 .3356 .58434 .4980 1.51
	Ca21 .2511 .24809 .2498 1.48
	Ca22 -.0038 .62258 .7492 1.48
	Ca23 .2550 .37554 .7503 1.49
	P1 .4018 .43534 .2505 1.01
	P2 .6292 .26557 .2508 1.02
	P3 .0312 .45093 .7502 1.02
	O11 .3346 .4939 .2510 1.41
	O12 .4880 .3268 .7511 1.41
	O13 .1534 .5829 .2492 1.41
	O21 .5894 .4825 .2465 1.63
	O22 .5346 .3121 .2490 1.62
	O23 .1242 .5447 .7476 1.60
	O31 .3441 .3800 .0709 2.00
	O32 .7399 .2926 .0710 1.89
	O33 .0846 .4217 .5710 1.93
	O34 .3508 .3817 .4331 2.00
	O35 .7365 .2932 .4329 2.10
	O36 .0865 .4258 .9338 2.05
	ClB .000 .2507 .130 .235 1.39
	ClA .0000 .2494 .4345 .235 1.22
	F .0000 .2502 .237 .290 1.40
	OH .0006 .2498 .340 .240 0.14
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	Fluorapatite
	Hughes J M, Cameron M, Mariano A N
	American Mineralogist 76 (1991) 1165-1173
	Rare-earth-element ordering and structural variations in natural
	rare-earth-bearing apatites
	sample from Pajarito, New Mexico
	_database_code_amcsd 0001372
	9.4052 9.4052 6.9125 90 90 120 P6_3/m
	atom x y z occ Biso
	Ca1 2/3 1/3 -.0012 .677 .986
	Na1 2/3 1/3 -.0012 .237 .986
	Ce1 2/3 1/3 -.0012 .086 .986
	Ca2 .98860 .23885 .25 .847 .885
	Ce2 .98860 .23885 .25 .153 .885
	P .36881 .39692 .25 .947 .63
	Si .36881 .39692 .25 .053 .63
	O1 .4821 .3233 .25 1.14
	O2 .4671 .5853 .25 1.35
	O3 .2557 .3396 .0721 1.65
	F 0 0 .25 2.50
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	Fluorapatite
	Hughes J M, Cameron M, Mariano A N
	American Mineralogist 76 (1991) 1165-1173
	Rare-earth-element ordering and structural variations in natural
	rare-earth-bearing apatites
	sample from Kipawa, Quebec
	_database_code_amcsd 0001373
	9.3908 9.3908 6.8988 90 90 120 P6_3/m
	atom x y z occ Biso
	Ca1 2/3 1/3 .0007 .936 1.023
	Na1 2/3 1/3 .0007 .025 1.023
	Ce1 2/3 1/3 .0007 .039 1.023
	Ca2 .99123 .24026 .25 .923 1.018
	Ce2 .99123 .24026 .25 .077 1.018
	P .36928 .39832 .25 .927 .72
	Si .36928 .39832 .25 .073 .72
	O1 .4843 .3261 .25 1.09
	O2 .4667 .5875 .25 1.23
	O3 .2572 .3417 .0704 1.47
	F 0 0 .25 2.7
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	Fluorapatite
	Hughes J M, Cameron M, Mariano A N
	American Mineralogist 76 (1991) 1165-1173
	Rare-earth-element ordering and structural variations in natural
	rare-earth-bearing apatites
	sample from the Oka carbonatite
	_database_code_amcsd 0001374
	9.3995 9.3995 6.8941 90 90 120 P6_3/m
	atom x y z occ Biso
	Ca1 2/3 1/3 .0011 .980 .893
	Na1 2/3 1/3 .0011 .005 .893
	Ce1 2/3 1/3 .0011 .015 .893
	Ca2 .99212 .24276 .25 .955 .842
	Ce2 .99212 .24276 .25 .045 .842
	P .36875 .39813 .25 .947 .57
	Si .36875 .39813 .25 .053 .57
	O1 .4849 .3269 .25 .96
	O2 .4659 .5873 .25 1.08
	O3 .2573 .3421 .0705 1.32
	F 0 0 .25 .74 2.7
	OH 0 0 .302 .13 1.3
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	Hydroxylapatite
	Hughes J M, Cameron M, Mariano A N
	American Mineralogist 76 (1991) 1165-1173
	Rare-earth-element ordering and structural variations in natural
	rare-earth-bearing apatites
	sample B from the Oka carbonatite
	_database_code_amcsd 0001375
	9.4202 9.4202 6.9157 90 90 120 P6_3/m
	atom x y z occ Biso
	Ca1 2/3 1/3 .0004 .939 1.101
	Na1 2/3 1/3 .0004 .010 1.101
	Ce1 2/3 1/3 .0004 .051 1.101
	Ca2 .99088 .24301 .25 .893 1.000
	Ce2 .99088 .24301 .25 .107 1.000
	P .36896 .39824 .25 .865 .73
	Si .36896 .39824 .25 .135 .73
	O1 .4842 .3261 .25 1.08
	O2 .4659 .5874 .25 1.35
	O3 .2567 .3421 .0708 1.72
	F 0 0 .25 .335 1.9
	OH 0 0 .304 .332 2.3
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	Apatite-(CaOH)
	Hughes J M, Cameron M, Mariano A N
	American Mineralogist 76 (1991) 1165-1173
	Rare-earth-element ordering and structural variations in natural
	rare-earth-bearing apatites
	sample B from the Oka carbonatite
	_database_code_amcsd 0001376
	9.4202 9.4202 6.9157 90 90 120 P6_3/m
	atom x y z occ Biso
	Ca1 2/3 1/3 .0004 .939 1.101
	Na1 2/3 1/3 .0004 .010 1.101
	Ce1 2/3 1/3 .0004 .051 1.101
	Ca2 .99088 .24301 .25 .893 1.000
	Ce2 .99088 .24301 .25 .107 1.000
	P .36896 .39824 .25 .865 .73
	Si .36896 .39824 .25 .135 .73
	O1 .4842 .3261 .25 1.08
	O2 .4659 .5874 .25 1.35
	O3 .2567 .3421 .0708 1.72
	F 0 0 .25 .335 1.9
	OH 0 0 .304 .332 2.3
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	Apatite-(CaF)
	Hughes J M, Cameron M, Mariano A N
	American Mineralogist 76 (1991) 1165-1173
	Rare-earth-element ordering and structural variations in natural
	rare-earth-bearing apatites
	sample from Pajarito, New Mexico
	_database_code_amcsd 0001377
	9.4052 9.4052 6.9125 90 90 120 P6_3/m
	atom x y z occ Biso
	Ca1 2/3 1/3 -.0012 .677 .986
	Na1 2/3 1/3 -.0012 .237 .986
	Ce1 2/3 1/3 -.0012 .086 .986
	Ca2 .98860 .23885 .25 .847 .885
	Ce2 .98860 .23885 .25 .153 .885
	P .36881 .39692 .25 .947 .63
	Si .36881 .39692 .25 .053 .63
	O1 .4821 .3233 .25 1.14
	O2 .4671 .5853 .25 1.35
	O3 .2557 .3396 .0721 1.65
	F 0 0 .25 2.50
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	Apatite-(CaF)
	Hughes J M, Cameron M, Mariano A N
	American Mineralogist 76 (1991) 1165-1173
	Rare-earth-element ordering and structural variations in natural
	rare-earth-bearing apatites
	sample from Kipawa, Quebec
	_database_code_amcsd 0001378
	9.3908 9.3908 6.8988 90 90 120 P6_3/m
	atom x y z occ Biso
	Ca1 2/3 1/3 .0007 .936 1.023
	Na1 2/3 1/3 .0007 .025 1.023
	Ce1 2/3 1/3 .0007 .039 1.023
	Ca2 .99123 .24026 .25 .923 1.018
	Ce2 .99123 .24026 .25 .077 1.018
	P .36928 .39832 .25 .927 .72
	Si .36928 .39832 .25 .073 .72
	O1 .4843 .3261 .25 1.09
	O2 .4667 .5875 .25 1.23
	O3 .2572 .3417 .0704 1.47
	F 0 0 .25 2.7
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	Apatite-(CaF)
	Hughes J M, Cameron M, Mariano A N
	American Mineralogist 76 (1991) 1165-1173
	Rare-earth-element ordering and structural variations in natural
	rare-earth-bearing apatites
	sample from the Oka carbonatite
	_database_code_amcsd 0001379
	9.3995 9.3995 6.8941 90 90 120 P6_3/m
	atom x y z occ Biso
	Ca1 2/3 1/3 .0011 .980 .893
	Na1 2/3 1/3 .0011 .005 .893
	Ce1 2/3 1/3 .0011 .015 .893
	Ca2 .99212 .24276 .25 .955 .842
	Ce2 .99212 .24276 .25 .045 .842
	P .36875 .39813 .25 .947 .57
	Si .36875 .39813 .25 .053 .57
	O1 .4849 .3269 .25 .96
	O2 .4659 .5873 .25 1.08
	O3 .2573 .3421 .0705 1.32
	F 0 0 .25 .74 2.7
	OH 0 0 .302 .13 1.3
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	Fluorapatite
	Hughes J M, Cameron M, Crowley K D
	American Mineralogist 76 (1991) 1857-1862
	Ordering of divalent cations in the apatite structure: Crystal structure
	refinements of natural Mn- and Sr-bearing apatite
	sample Sr.63
	_database_code_amcsd 0001421
	9.3902 9.3902 6.9011 90 90 120 P6_3/m
	atom x y z occ Biso
	Ca1 2/3 1/3 .00086 .984 .850
	Sr1 2/3 1/3 .00086 .016 .850
	Ca2 -.00854 .24046 .25 .906 .792
	Sr2 -.00854 .24046 .25 .094 .792
	P .36912 .39843 .25 .60
	O1 .4846 .3269 .25 .95
	O2 .4665 .5877 .25 1.13
	O3 .2574 .3416 .0711 1.26
	F 0 0 .25 2.00
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	Fluorapatite
	Hughes J M, Cameron M, Crowley K D
	American Mineralogist 76 (1991) 1857-1862
	Ordering of divalent cations in the apatite structure: Crystal structure
	refinements of natural Mn- and Sr-bearing apatite
	sample Sr.29
	_database_code_amcsd 0001422
	9.3786 9.3786 6.8922 90 90 120 P6_3/m
	atom x y z occ Biso
	Ca1 2/3 1/3 .00092 .998 .732
	Sr1 2/3 1/3 .00092 .002 .732
	Ca2 -.00788 .24114 .25 .952 .670
	Sr2 -.00788 .24114 .25 .048 .670
	P .36899 .39827 .25 .51
	O1 .4852 .3272 .25 .90
	O2 .4670 .5879 .25 .98
	O3 .25737 .3418 .0706 1.16
	F 0 0 .25 .890 1.93
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	Fluorapatite
	Hughes J M, Cameron M, Crowley K D
	American Mineralogist 76 (1991) 1857-1862
	Ordering of divalent cations in the apatite structure: Crystal structure
	refinements of natural Mn- and Sr-bearing apatite
	sample Mn1.21
	_database_code_amcsd 0001423
	9.3430 9.3430 6.8227 90 90 120 P6_3/m
	atom x y z occ Biso
	Ca1 2/3 1/3 .0021 .795 .947
	Mn1 2/3 1/3 .0021 .205 .947
	Ca2 -.00708 .24157 .25 .935 .751
	Mn2 -.00708 .24157 .25 .065 .751
	P .36997 .39878 .25 .71
	O1 .4883 .3298 .25 1.19
	O2 .4656 .5882 .25 2.01
	O3 .2581 .3406 .0702 1.87
	F 0 0 .25 .740 2.31
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	Fluorapatite
	Hughes J M, Cameron M, Crowley K D
	American Mineralogist 76 (1991) 1857-1862
	Ordering of divalent cations in the apatite structure: Crystal structure
	refinements of natural Mn- and Sr-bearing apatite
	sample Mn.42
	_database_code_amcsd 0001424
	9.3596 9.3596 6.8603 90 90 120 P6_3/m
	atom x y z occ Biso
	Ca1 2/3 1/3 .00155 .918 .828
	Mn1 2/3 1/3 .00155 .083 .828
	Ca2 -.00704 .24157 .25 .985 .751
	Mn2 -.00704 .24157 .25 .015 .751
	P .36937 .39843 .25 .573
	O1 .4859 .3273 .25 .97
	O2 .4666 .5882 .25 1.29
	O3 .2575 .3414 .0707 1.39
	F 0 0 .25 .930 1.87
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	Apatite-(CaF)
	Hughes J M, Cameron M, Crowley K D
	American Mineralogist 76 (1991) 1857-1862
	Ordering of divalent cations in the apatite structure: Crystal structure
	refinements of natural Mn- and Sr-bearing apatite
	sample Sr.63
	_database_code_amcsd 0001425
	9.3902 9.3902 6.9011 90 90 120 P6_3/m
	atom x y z occ Biso
	Ca1 2/3 1/3 .00086 .984 .850
	Sr1 2/3 1/3 .00086 .016 .850
	Ca2 -.00854 .24046 .25 .906 .792
	Sr2 -.00854 .24046 .25 .094 .792
	P .36912 .39843 .25 .60
	O1 .4846 .3269 .25 .95
	O2 .4665 .5877 .25 1.13
	O3 .2574 .3416 .0711 1.26
	F 0 0 .25 2.00
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	Apatite-(CaF)
	Hughes J M, Cameron M, Crowley K D
	American Mineralogist 76 (1991) 1857-1862
	Ordering of divalent cations in the apatite structure: Crystal structure
	refinements of natural Mn- and Sr-bearing apatite
	sample Sr.29
	_database_code_amcsd 0001426
	9.3786 9.3786 6.8922 90 90 120 P6_3/m
	atom x y z occ Biso
	Ca1 2/3 1/3 .00092 .998 .732
	Sr1 2/3 1/3 .00092 .002 .732
	Ca2 -.00788 .24114 .25 .952 .670
	Sr2 -.00788 .24114 .25 .048 .670
	P .36899 .39827 .25 .51
	O1 .4852 .3272 .25 .90
	O2 .4670 .5879 .25 .98
	O3 .25737 .3418 .0706 1.16
	F 0 0 .25 .890 1.93
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	Apatite-(CaF)
	Hughes J M, Cameron M, Crowley K D
	American Mineralogist 76 (1991) 1857-1862
	Ordering of divalent cations in the apatite structure: Crystal structure
	refinements of natural Mn- and Sr-bearing apatite
	sample Mn1.21
	_database_code_amcsd 0001427
	9.3430 9.3430 6.8227 90 90 120 P6_3/m
	atom x y z occ Biso
	Ca1 2/3 1/3 .0021 .795 .947
	Mn1 2/3 1/3 .0021 .205 .947
	Ca2 -.00708 .24157 .25 .935 .751
	Mn2 -.00708 .24157 .25 .065 .751
	P .36997 .39878 .25 .71
	O1 .4883 .3298 .25 1.19
	O2 .4656 .5882 .25 2.01
	O3 .2581 .3406 .0702 1.87
	F 0 0 .25 .740 2.31
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	Apatite-(CaF)
	Hughes J M, Cameron M, Crowley K D
	American Mineralogist 76 (1991) 1857-1862
	Ordering of divalent cations in the apatite structure: Crystal structure
	refinements of natural Mn- and Sr-bearing apatite
	sample Mn.42
	_database_code_amcsd 0001428
	9.3596 9.3596 6.8603 90 90 120 P6_3/m
	atom x y z occ Biso
	Ca1 2/3 1/3 .00155 .918 .828
	Mn1 2/3 1/3 .00155 .083 .828
	Ca2 -.00704 .24157 .25 .985 .751
	Mn2 -.00704 .24157 .25 .015 .751
	P .36937 .39843 .25 .573
	O1 .4859 .3273 .25 .97
	O2 .4666 .5882 .25 1.29
	O3 .2575 .3414 .0707 1.39
	F 0 0 .25 .930 1.87
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	Bastnasite-(Ce)
	Ni Y, Hughes J M, Mariano A N
	American Mineralogist 78 (1993) 415-418
	The atomic arrangement of bastnasite-(Ce), Ce(CO3)F, and structural elements of
	synchysite-(Ce), rontgenite-(Ce), and parisite-(Ce)
	_database_code_amcsd 0001553
	7.1175 7.1175 9.7619 90 90 120 P-62c
	atom x y z Biso
	Ce .33941 0 0 .360
	C .322 .290 .25 0.6
	O1 .316 .109 .25 0.9
	O2 .3245 .3828 .1354 1.0
	F1 0 0 0 0.8
	F2 2/3 1/3 .051 0.7
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	Monazite-(Ce)
	Ni Y, Hughes J M, Mariano A N
	American Mineralogist 80 (1995) 21-26
	Crystal chemistry of the monazite and xenotime structures
	_database_code_amcsd 0001698
	6.7902 7.0203 6.4674 90 103.38 90 P2_1/n
	atom x y z Biso
	Ce .28152 .15929 .10006 .329
	P .3048 .1630 .6121 .31
	O1 .2501 .0068 .4450 .63
	O2 .3814 .3307 .4975 .69
	O3 .4742 .1070 .8037 .73
	O4 .1274 .2153 .7104 .63
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	Monazite-(La)
	Ni Y, Hughes J M, Mariano A N
	American Mineralogist 80 (1995) 21-26
	Crystal chemistry of the monazite and xenotime structures
	La(PO4)
	_database_code_amcsd 0001699
	6.8313 7.0705 6.5034 90 103.27 90 P2_1/n
	atom x y z Biso
	La .28154 .16033 .10068 .294
	P .3047 .1639 .6121 .33
	O1 .2503 .0077 .4477 .78
	O2 .3799 .3315 .4964 .61
	O3 .4748 .1071 .8018 .63
	O4 .1277 .2168 .7101 .66
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	Monazite-(Ce)
	Ni Y, Hughes J M, Mariano A N
	American Mineralogist 80 (1995) 21-26
	Crystal chemistry of the monazite and xenotime structures
	Ce(PO4)
	_database_code_amcsd 0001700
	6.7880 7.0163 6.4650 90 103.43 90 P2_1/n
	atom x y z Biso
	Ce .28182 .15914 .10008 .431
	P .3047 .1635 .6124 .51
	O1 .2508 .0055 .4458 .93
	O2 .3811 .3320 .4982 .80
	O3 .4745 .1054 .8042 .84
	O4 .1268 .2164 .7108 .77
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	Monazite
	Ni Y, Hughes J M, Mariano A N
	American Mineralogist 80 (1995) 21-26
	Crystal chemistry of the monazite and xenotime structures
	Pr(PO4)
	_database_code_amcsd 0001701
	6.7596 6.9812 6.4344 90 103.53 90 P2_1/n
	atom x y z Biso
	Pr .28177 .15862 .09988 .351
	P .3040 .1630 .6127 .36
	O1 .2498 .0051 .4441 .69
	O2 .3816 .3327 .4990 .67
	O3 .4744 .1046 .8057 .63
	O4 .1260 .2150 .7120 .62
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	Monazite-(Nd)
	Ni Y, Hughes J M, Mariano A N
	American Mineralogist 80 (1995) 21-26
	Crystal chemistry of the monazite and xenotime structures
	Nd(PO4)
	_database_code_amcsd 0001702
	6.7352 6.9500 6.4049 90 103.68 90 P2_1/n
	atom x y z Biso
	Nd .28178 .15806 .09950 .280
	P .3037 .1626 .6127 .30
	O1 .2502 .0046 .4430 .67
	O2 .3815 .3331 .4987 .61
	O3 .4747 .1040 .8073 .62
	O4 .1249 .2153 .7127 .52
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	Monazite-(Sm)
	Ni Y, Hughes J M, Mariano A N
	American Mineralogist 80 (1995) 21-26
	Crystal chemistry of the monazite and xenotime structures
	Sm(PO4)
	_database_code_amcsd 0001703
	6.6818 6.8877 6.3653 90 103.86 90 P2_1/n
	atom x y z Biso
	Sm .28153 .15638 .09813 .228
	P .3034 .1618 .6130 .25
	O1 .2499 .0020 .4405 .57
	O2 .3822 .3341 .5008 .57
	O3 .4748 .1025 .8102 .56
	O4 .1217 .2125 .7113 .57
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	Monazite
	Ni Y, Hughes J M, Mariano A N
	American Mineralogist 80 (1995) 21-26
	Crystal chemistry of the monazite and xenotime structures
	Eu(PO4)
	_database_code_amcsd 0001704
	6.6613 6.8618 6.3491 90 103.96 90 P2_1/n
	atom x y z Biso
	Eu .28152 .15595 .09757 .193
	P .3029 .1615 .6130 .24
	O1 .2513 .0012 .4409 .68
	O2 .3833 .3350 .5017 .52
	O3 .4743 .1022 .8116 .53
	O4 .1204 .2135 .7119 .48
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	Monazite
	Ni Y, Hughes J M, Mariano A N
	American Mineralogist 80 (1995) 21-26
	Crystal chemistry of the monazite and xenotime structures
	Gd(PO4)
	_database_code_amcsd 0001705
	6.6435 6.8414 6.3281 90 103.976 90 P2_1/n
	atom x y z Biso
	Gd .28150 .15529 .09695 .306
	P .3031 .1612 .6131 .38
	O1 .2539 .0013 .4385 .80
	O2 .3837 .3346 .5024 .66
	O3 .4729 .1016 .8126 .62
	O4 .1187 .2138 .7131 .67
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	Xenotime-(Y)
	Ni Y, Hughes J M, Mariano A N
	American Mineralogist 80 (1995) 21-26
	Crystal chemistry of the monazite and xenotime structures
	_database_code_amcsd 0001706
	6.8947 6.8947 6.0276 90 90 90 *I4_1/amd
	0 -.25 .125
	atom x y z Biso
	Y 0 .75 .125 .455
	P 0 .25 .375 .62
	O 0 .0753 .2158 .94
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	Xenotime
	Ni Y, Hughes J M, Mariano A N
	American Mineralogist 80 (1995) 21-26
	Crystal chemistry of the monazite and xenotime structures
	Tb(PO4)
	_database_code_amcsd 0001707
	6.9309 6.9309 6.0606 90 90 90 *I4_1/amd
	0 -.25 .125
	atom x y z Biso
	Tb 0 .75 .125 .350
	P 0 .25 .375 .43
	O 0 .0764 .2175 .60
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	Xenotime
	Ni Y, Hughes J M, Mariano A N
	American Mineralogist 80 (1995) 21-26
	Crystal chemistry of the monazite and xenotime structures
	Dy(PO4)
	_database_code_amcsd 0001708
	6.9052 6.9052 6.0384 90 90 90 *I4_1/amd
	0 -.25 .125
	atom x y z Biso
	Dy 0 .75 .125 .346
	P 0 .25 .375 .43
	O 0 .0760 .2162 .61
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	Xenotime
	Ni Y, Hughes J M, Mariano A N
	American Mineralogist 80 (1995) 21-26
	Crystal chemistry of the monazite and xenotime structures
	Ho(PO4)
	_database_code_amcsd 0001709
	6.8773 6.8773 6.0176 90 90 90 *I4_1/amd
	0 -.25 .125
	atom x y z Biso
	Ho 0 .75 .125 .049
	P 0 .25 .375 .26
	O 0 .0757 .2165 .38
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	Xenotime
	Ni Y, Hughes J M, Mariano A N
	American Mineralogist 80 (1995) 21-26
	Crystal chemistry of the monazite and xenotime structures
	Er(PO4)
	_database_code_amcsd 0001710
	6.8508 6.8508 5.9968 90 90 90 *I4_1/amd
	0 -.25 .125
	atom x y z Biso
	Er 0 .75 .125 .406
	P 0 .25 .375 .48
	O 0 .0743 .216 .65
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	Xenotime
	Ni Y, Hughes J M, Mariano A N
	American Mineralogist 80 (1995) 21-26
	Crystal chemistry of the monazite and xenotime structures
	Tm(PO4)
	_database_code_amcsd 0001711
	6.8294 6.8294 5.9798 90 90 90 *I4_1/amd
	0 -.25 .125
	atom x y z Biso
	Tm 0 .75 .125 .104
	P 0 .25 .375 .14
	O 0 .072 .213 .3
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Xenotime-(Yb)
	Ni Y, Hughes J M, Mariano A N
	American Mineralogist 80 (1995) 21-26
	Crystal chemistry of the monazite and xenotime structures
	Yb(PO4)
	_database_code_amcsd 0001712
	6.8093 6.8093 5.9639 90 90 90 *I4_1/amd
	0 -.25 .125
	atom x y z Biso
	Yb 0 .75 .125 .28
	P 0 .25 .375 .5
	O 0 .074 .215 .5
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	Xenotime
	Ni Y, Hughes J M, Mariano A N
	American Mineralogist 80 (1995) 21-26
	Crystal chemistry of the monazite and xenotime structures
	Lu(PO4)
	_database_code_amcsd 0001713
	6.7828 6.7828 5.9467 90 90 90 *I4_1/amd
	0 -.25 .125
	atom x y z Biso
	Lu 0 .75 .125 .245
	P 0 .25 .375 .31
	O 0 .0735 .2138 .52
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Nanpingite
	Ni Y, Hughes J M
	American Mineralogist 81 (1996) 105-110
	The crystal structure of nanpingite-2M2, the Cs end-member of muscovite
	_database_code_amcsd 0001774
	9.076 5.226 21.41 90 99.48 90 C2/c
	atom x y z occ Biso
	Cs 0 .0961 .25 .88 1.83
	K 0 .0961 .25 .06 1.83
	Rb 0 .0961 .25 .01 1.83
	Al2 .0837 .2503 .0000 .75 .91
	Mg2 .0837 .2503 .0000 .10 .91
	Fe2 .0837 .2503 .0000 .08 .91
	Li2 .0837 .2503 .0000 .07 .91
	Si1 .1197 .5884 .1272 .79 1.09
	Al1 .1197 .5884 .1272 .21 1.09
	Si2 .2901 .1009 .1271 .79 1.09
	Al2 .2901 .1009 .1271 .21 1.09
	O1 .0763 .5610 .0505 1.6
	O2 .2672 .1320 .0504 1.5
	O3 .2053 .3320 .1581 1.3
	O4 .4670 .1210 .1591 1.5
	O5 .2319 .8250 .1489 1.9
	OH6 .9545 .0620 .0468 .90 1.5
	F6 .9545 .0620 .0468 .10 1.5
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	Titanite
	Hughes J M, Bloodaxe E S, Hanchar J M, Foord E E
	American Mineralogist 82 (1997) 512-516
	Incorporation of rare earth elements in titanite: Stabilization of the A2/a
	dimorph by creation of antiphase boundaries
	Sample: natural
	_database_code_amcsd 0001898
	7.0425 8.7155 6.5376 90 113.629 90 A2/a
	atom x y z Biso
	Ti .5 0 .5 .75
	Ca .25 .16684 0 1.54
	Si .75 .1828 0 .67
	O1 .75 .0744 .5 .88
	O2 .9127 .0667 .1834 1.10
	O3 .3798 .2105 .3949 1.03
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	Titanite
	Hughes J M, Bloodaxe E S, Hanchar J M, Foord E E
	American Mineralogist 82 (1997) 512-516
	Incorporation of rare earth elements in titanite: Stabilization of the A2/a
	dimorph by creation of antiphase boundaries
	Sample: La-Al
	_database_code_amcsd 0001899
	7.0348 8.7119 6.5498 90 113.712 90 A2/a
	atom x y z Biso
	Ti .5 0 .5 .693
	Ca .25 .16868 0 1.058
	Si .75 .18262 0 .417
	O1 .75 .0698 .5 .69
	O2 .9114 .0661 .1853 .77
	O3 .3827 .2108 .3970 .68
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	Titanite
	Hughes J M, Bloodaxe E S, Hanchar J M, Foord E E
	American Mineralogist 82 (1997) 512-516
	Incorporation of rare earth elements in titanite: Stabilization of the A2/a
	dimorph by creation of antiphase boundaries
	Sample: Dy-Al
	_database_code_amcsd 0001900
	7.0280 8.7025 6.5434 90 113.6813 90 A2/a
	atom x y z Biso
	Ti .5 0 .5 .64
	Ca .25 .16922 0 1.01
	Si .75 .1824 0 .58
	O1 .75 .0705 .5 .91
	O2 .9112 .0663 .1846 .86
	O3 .3817 .2107 .3971 .79
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	Titanite
	Hughes J M, Bloodaxe E S, Hanchar J M, Foord E E
	American Mineralogist 82 (1997) 512-516
	Incorporation of rare earth elements in titanite: Stabilization of the A2/a
	dimorph by creation of antiphase boundaries
	Sample: Dy-Al
	_database_code_amcsd 0001901
	7.057 8.710 6.555 90 113.84 90 P2_1/a
	atom x y z Biso
	Ti .50870 .7526 .2496 .54
	Ca .2451 .91831 .7504 .97
	Si .7497 .9328 .7503 .21
	O1 .7487 .8209 .2482 .55
	O2 .9106 .8172 .9355 .51
	O3 .3830 .9599 .1461 .49
	O4 .9113 .3155 .4355 .57
	O5 .3819 .4615 .6486 .53
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	Cordylite-(Ce)
	Giester G, Ni Y, Jarosch D, Hughes J M, Ronsbo J G, Yang Z, Zemann J
	American Mineralogist 83 (1998) 178-184
	Cordylite-(Ce): A crystal chemical investigation of material from four
	localities, including type material
	Sample: from Narssarssuk, Greenland, type sample, determined by the Vienna group
	refinement based on F2
	_database_code_amcsd 0001963
	5.0905 5.0905 23.102 90 90 120 P6_3/mmc
	atom x y z Uiso
	Ba 0 0 0 .013
	Ce 1/3 2/3 .35352 .009
	Na 1/3 2/3 3/4 .007
	Ca 1/3 2/3 3/4 .007
	F 1/3 2/3 .25 .031
	C1 0 0 .6775 .009
	C2 2/3 1/3 .4333 .008
	O1 .1448 .2896 .6764 .013
	O2 .5205 .0410 .4348 .017
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	Cordylite-(Ce)
	Giester G, Ni Y, Jarosch D, Hughes J M, Ronsbo J G, Yang Z, Zemann J
	American Mineralogist 83 (1998) 178-184
	Cordylite-(Ce): A crystal chemical investigation of material from four
	localities, including type material
	Sample: from Narssarssuk, Greenland, determined by the Vienna group,
	refinement based on F2
	_database_code_amcsd 0001964
	5.1011 5.1011 23.096 90 90 120 P6_3/mmc
	atom x y z Uiso
	Ba 0 0 0 .016
	Ce 1/3 2/3 .35385 .012
	Na 1/3 2/3 3/4 .016
	F 1/3 2/3 .25 .038
	C1 0 0 .6780 .012
	C2 2/3 1/3 .4333 .014
	O1 .1448 .2896 .6763 .018
	O2 .5218 .0436 .4347 .022
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	Cordylite-(Ce)
	Giester G, Ni Y, Jarosch D, Hughes J M, Ronsbo J G, Yang Z, Zemann J
	American Mineralogist 83 (1998) 178-184
	Cordylite-(Ce): A crystal chemical investigation of material from four
	localities, including type material
	Sample: from Narssarssuk, Greenland, determined by the Miami group,
	refinement based on F
	_database_code_amcsd 0001965
	5.09155 5.09155 23.070 90 90 120 P6_3/mmc
	atom x y z Uiso
	Ba 0 0 0 .024
	Ce 1/3 2/3 .35351 .0093
	Na 1/3 2/3 3/4 .020
	F 1/3 2/3 .25 .027
	C1 0 0 .6802 .012
	C2 2/3 1/3 .4326 .011
	O1 .1448 .2896 .6761 .014
	O2 .5210 .0420 .4350 .019
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	Cordylite-(Ce)
	Giester G, Ni Y, Jarosch D, Hughes J M, Ronsbo J G, Yang Z, Zemann J
	American Mineralogist 83 (1998) 178-184
	Cordylite-(Ce): A crystal chemical investigation of material from four
	localities, including type material
	Sample: from Mont St. Hilaire, determined by the Vienna group,
	refinement based on F2
	_database_code_amcsd 0001966
	5.097 5.097 23.075 90 90 120 P6_3/mmc
	atom x y z Uiso
	Ba 0 0 0 .013
	Ce 1/3 2/3 .35339 .010
	Na 1/3 2/3 3/4 .011
	F 1/3 2/3 .25 .034
	C1 0 0 .6783 .007
	C2 2/3 1/3 .4337 .017
	O1 .1452 .2904 .6758 .012
	O2 .5197 .0394 .4346 .016
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	Cordylite-(Ce)
	Giester G, Ni Y, Jarosch D, Hughes J M, Ronsbo J G, Yang Z, Zemann J
	American Mineralogist 83 (1998) 178-184
	Cordylite-(Ce): A crystal chemical investigation of material from four
	localities, including type material
	Sample: from Mont St. Hilaire, determined by the Miami group,
	refinement based on F
	_database_code_amcsd 0001967
	5.09335 5.09335 23.049 90 90 120 P6_3/mmc
	atom x y z Uiso
	Ba 0 0 0 .0114
	Ce 1/3 2/3 .35331 .0082
	Na 1/3 2/3 3/4 .016
	F 1/3 2/3 .25 .024
	C1 0 0 .6779 .012
	C2 2/3 1/3 .4340 .009
	O1 .1445 .2890 .6760 .016
	O2 .5217 .0434 .4352 .012
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	Cordylite-(Ce)
	Giester G, Ni Y, Jarosch D, Hughes J M, Ronsbo J G, Yang Z, Zemann J
	American Mineralogist 83 (1998) 178-184
	Cordylite-(Ce): A crystal chemical investigation of material from four
	localities, including type material
	Sample: from Kola Pen., refinement based on F2
	_database_code_amcsd 0001968
	5.108 5.108 23.129 90 90 120 P6_3/mmc
	atom x y z Uiso
	Ba 0 0 0 .019
	Ce 1/3 2/3 .35452 .014
	Na 1/3 2/3 3/4 .022
	F 1/3 2/3 .25 .047
	C1 0 0 .6790 .016
	C2 2/3 1/3 .4335 .020
	O1 .1442 .2884 .6770 .020
	O2 .5214 .0428 .4351 .024
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	Cordylite-(Ce)
	Giester G, Ni Y, Jarosch D, Hughes J M, Ronsbo J G, Yang Z, Zemann J
	American Mineralogist 83 (1998) 178-184
	Cordylite-(Ce): A crystal chemical investigation of material from four
	localities, including type material
	Sample: from Bayan Obo, refinement based on F2
	_database_code_amcsd 0001969
	5.109 5.109 23.289 90 90 120 P6_3/mmc
	atom x y z Uiso
	Ba 0 0 0 .031
	Ce 1/3 2/3 .35451 .021
	Na 1/3 2/3 3/4 .029
	F 1/3 2/3 .25 .066
	C1 0 0 .6778 .025
	C2 2/3 1/3 .4342 .030
	O1 .1441 .2882 .6762 .032
	O2 .5212 .0424 .4350 .043
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	Schorl
	Bloodaxe E S, Hughes J M, Dyar M D, Grew E S, Guidotti C V
	American Mineralogist 84 (1999) 922-928
	Linking structure and chemistry in the schorl-dravite series
	Sample 108749
	Locality: Madagascar
	_database_code_amcsd 0002238
	15.939 15.939 7.146 90 90 120 R3m
	atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	NaX 0 0 .25 .711 .00202 .00202 .0091 .00101 0 0
	CaX 0 0 .25 .100 .00202 .00202 .0091 .00101 0 0
	KX 0 0 .25 .043 .00202 .00202 .0091 .00101 0 0
	FeY .27140 .54280 .32225 .411 .00082 .00110 .00571 .00055 .000385 .00077
	MgY .27140 .54280 .32225 .136 .00082 .00110 .00571 .00055 .000385 .00077
	AlY .27140 .54280 .32225 .428 .00082 .00110 .00571 .00055 .000385 .00077
	TiY .27140 .54280 .32225 .016 .00082 .00110 .00571 .00055 .000385 .00077
	VY .27140 .54280 .32225 .002 .00082 .00110 .00571 .00055 .000385 .00077
	LiY .27140 .54280 .32225 .002 .00082 .00110 .00571 .00055 .000385 .00077
	ZnY .27140 .54280 .32225 .002 .00082 .00110 .00571 .00055 .000385 .00077
	AlZ .29802 .26158 .63386 .927 .00050 .00049 .00161 .000245 -.00007 .00004
	MgZ .29802 .26158 .63386 .073 .00050 .00049 .00161 .000245 -.00007 .00004
	SiT .19205 .19007 .02373 .972 .00055 .00052 .00218 .00027 -.00002 -.000115
	AlT .19205 .19007 .02373 .028 .00055 .00052 .00218 .00027 -.00002 -.000115
	B .10995 .21990 .4766 .00090 .0007 .0022 .00035 .00005 .0001
	O1 0 0 .7984 .233 .0028 .0028 .0038 .0014 0 0
	OH1 0 0 .7984 .465 .0028 .0028 .0038 .0014 0 0
	F1 0 0 .7984 .302 .0028 .0028 .0038 .0014 0 0
	O2 .06111 .12222 .5082 .00193 .00079 .0040 .000395 .00000 .00000
	OH3 .2660 .1330 .5326 .00242 .00125 .0025 .00121 .00000 .00000
	O4 .09313 .18626 .0940 .00095 .00175 .0039 .000885 -.00015 -.0003
	O5 .1858 .0929 .1168 .00180 .00086 .0041 .00090 .00015 .0003
	O6 .19696 .18640 .7984 .00099 .00119 .0025 .000545 -.0001 -.0002
	O7 .28589 .28604 .1022 .00083 .00076 .0031 .000205 -.0001 -.00025
	O8 .20956 .27008 .4632 .00074 .00105 .0040 .00049 .00005 .00045
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	Fluor-schorl
	Bloodaxe E S, Hughes J M, Dyar M D, Grew E S, Guidotti C V
	American Mineralogist 84 (1999) 922-928
	Linking structure and chemistry in the schorl-dravite series
	Sample DLux1
	Locality: Sebago Granite, North Windham, Oxford County, Maine, USA
	_database_code_amcsd 0002239
	15.963 15.963 7.154 90 90 120 R3m
	atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	NaX 0 0 .25 .608 .0025 .0025 .0086 .00125 0 0
	CaX 0 0 .25 .031 .0025 .0025 .0086 .00125 0 0
	KX 0 0 .25 .030 .0025 .0025 .0086 .00125 0 0
	FeY .27084 .54168 .3124 .588 .00006 .00019 .0052 .000095 .00026 .00052
	MnY .27084 .54168 .3124 .005 .00006 .00019 .0052 .000095 .00026 .00052
	AlY .27084 .54168 .3124 .368 .00006 .00019 .0052 .000095 .00026 .00052
	TiY .27084 .54168 .3124 .027 .00006 .00019 .0052 .000095 .00026 .00052
	LiY .27084 .54168 .3124 .007 .00006 .00019 .0052 .000095 .00026 .00052
	AlZ .29845 .26173 .6288 .912 .00020 .00032 .0016 .00010 -.00008 .0001
	MgZ .29845 .26173 .6288 .088 .00020 .00032 .0016 .00010 -.00008 .0001
	SiT .19187 .18987 .0179 .00074 .00072 .0025 .000355 -.00005 -.000105
	B .1103 .2206 .4716 .0010 .0013 .0032 .00065 .0002 .0004
	O1 0 0 .7972 .445 .0035 .0035 .0032 .00175 0 0
	F1 0 0 .7972 .355 .0035 .0035 .0032 .00175 0 0
	OH1 0 0 .7972 .200 .0035 .0035 .0032 .00175 0 0
	O2 .0617 .1234 .5035 .0024 .0011 .0044 .00055 .0003 .0006
	OH3 .2681 .13405 .5275 .0023 .0015 .0032 .00115 .0003 .00015
	O4 .0928 .1856 .0864 .00099 .0019 .0043 .00095 -.0002 -.0004
	O5 .1866 .0933 .1081 .0017 .00086 .0042 .00085 .0004 .0002
	O6 .1976 .1871 .7931 .00126 .00125 .0033 .00065 -.00005 -.00015
	O7 .2852 .2860 .0969 .00092 .00087 .0039 .00022 -.0002 -.0002
	O8 .2099 .2703 .4586 .00089 .00119 .0050 .000545 .0003 .0005
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	Oxy-dravite
	Bloodaxe E S, Hughes J M, Dyar M D, Grew E S, Guidotti C V
	American Mineralogist 84 (1999) 922-928
	Linking structure and chemistry in the schorl-dravite series
	Sample LCW2356
	Locality: Dunton mine, Newry, Oxford County, Maine, USA
	_database_code_amcsd 0002240
	15.915 15.915 7.187 90 90 120 R3m
	atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	NaX 0 0 .25 .418 .00120 .00120 .0064 .00060 0 0
	CaX 0 0 .25 .370 .00120 .00120 .0064 .00060 0 0
	KX 0 0 .25 .027 .00120 .00120 .0064 .00060 0 0
	MgY .27110 .54220 .3196 .506 .00095 .00114 .0063 .00057 .000385 .00077
	FeY .27110 .54220 .3196 .183 .00095 .00114 .0063 .00057 .000385 .00077
	AlY .27110 .54220 .3196 .364 .00095 .00114 .0063 .00057 .000385 .00077
	TiY .27110 .54220 .3196 .012 .00095 .00114 .0063 .00057 .000385 .00077
	VY .27110 .54220 .3196 .003 .00095 .00114 .0063 .00057 .000385 .00077
	LiY .27110 .54220 .3196 .002 .00095 .00114 .0063 .00057 .000385 .00077
	CrY .27110 .54220 .3196 .003 .00095 .00114 .0063 .00057 .000385 .00077
	AlZ .29793 .26154 .6312 .830 .00053 .00056 .0021 .000265 -.00005 0
	MgZ .29793 .26154 .6312 .170 .00053 .00056 .0021 .000265 -.00005 0
	SiT .19192 .18999 .0193 .00056 .00053 .00223 .000265 .000025 -.000145
	B .1097 .2194 .4714 .0008 .0012 .0020 .0006 -.00015 -.0003
	O1 0 0 .7933 .848 .0014 .0014 .0029 .0007 0 0
	OH1 0 0 .7933 .018 .0014 .0014 .0029 .0007 0 0
	F1 0 0 .7933 .134 .0014 .0014 .0029 .0007 0 0
	O2 .0607 .1214 .5018 .0013 .0009 .0059 .00045 .00005 .0001
	OH3 .2649 .13245 .5301 .0026 .0014 .0022 .0013 .00015 .000075
	O4 .0928 .1856 .0908 .00090 .0017 .0037 .00085 -.0001 -.0002
	O5 .1831 .09155 .1115 .0017 .00076 .0045 .00085 .00025 .000125
	O6 .1958 .1857 .7965 .00105 .00107 .0026 .00059 -.00035 -.00025
	O7 .2853 .2849 .0986 .00086 .00081 .0039 .000295 -.00025 -.0002
	O8 .2091 .2696 .4599 .00063 .00088 .0049 .000355 .0001 .0003
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	Schorl
	Bloodaxe E S, Hughes J M, Dyar M D, Grew E S, Guidotti C V
	American Mineralogist 84 (1999) 922-928
	Linking structure and chemistry in the schorl-dravite series
	Sample HP2-1
	Locality: Harney Peak Granite, Custer County, South Dakota, USA
	_database_code_amcsd 0002241
	15.946 15.946 7.157 90 90 120 R3m
	atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	NaX 0 0 .25 .540 .0017 .0017 .0079 .00085 0 0
	CaX 0 0 .25 .027 .0017 .0017 .0079 .00085 0 0
	KX 0 0 .25 .025 .0017 .0017 .0079 .00085 0 0
	FeY .27130 .54260 .3159 .557 .00075 .00110 .00579 .00055 .00026 .00052
	MgY .27130 .54260 .3159 .026 .00075 .00110 .00579 .00055 .00026 .00052
	MnY .27130 .54260 .3159 .004 .00075 .00110 .00579 .00055 .00026 .00052
	ZnY .27130 .54260 .3159 .002 .00075 .00110 .00579 .00055 .00026 .00052
	AlY .27130 .54260 .3159 .399 .00075 .00110 .00579 .00055 .00026 .00052
	TiY .27130 .54260 .3159 .003 .00075 .00110 .00579 .00055 .00026 .00052
	VY .27130 .54260 .3159 .002 .00075 .00110 .00579 .00055 .00026 .00052
	AlZ .29822 .26160 .6299 .907 .00041 .00045 .00142 .000195 .000005 .00009
	MgZ .29822 .26160 .6299 .093 .00041 .00045 .00142 .000195 .000005 .00009
	SiT .19184 .18982 .0193 .00055 .00047 .00235 .000255 -.00008 -.00013
	B .1104 .2208 .4741 .0007 .0011 .0027 .00055 .0001 .0002
	O1 0 0 .7957 .400 .0033 .0033 .0035 .00165 0 0
	OH1 0 0 .7957 .396 .0033 .0033 .0035 .00165 0 0
	F1 0 0 .7957 .204 .0033 .0033 .0035 .00165 0 0
	O2 .06144 .12288 .5064 .0022 .0009 .0044 .00045 .0001 .0002
	OH3 .2665 .13325 .5288 .0027 .00130 .0023 .00135 .0001 .00005
	O4 .09323 .18646 .0880 .00082 .0015 .0041 .00075 -.00015 -.0003
	O5 .1868 .0934 .1109 .0016 .00084 .0041 .0008 .00025 .000125
	O6 .1968 .1864 .7949 .00120 .00122 .0023 .000635 -.00025 -.0002
	O7 .2853 .2856 .0981 .00072 .00065 .0037 .00020 -.00015 -.00025
	O8 .2099 .2703 .4597 .00084 .00121 .0049 .00065 .0001 .00035
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	Oxy-schorl
	Bloodaxe E S, Hughes J M, Dyar M D, Grew E S, Guidotti C V
	American Mineralogist 84 (1999) 922-928
	Linking structure and chemistry in the schorl-dravite series
	Sample O-T16-92
	Locality: Bald Mountain, Rangeley, Oxford County, Maine
	_database_code_amcsd 0002242
	15.935 15.935 7.160 90 90 120 R3m
	atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	NaX 0 0 .25 .348 .0018 .0018 .0095 .0009 0 0
	CaX 0 0 .25 .156 .0018 .0018 .0095 .0009 0 0
	KX 0 0 .25 .015 .0018 .0018 .0095 .0009 0 0
	Fe2Y .27167 .54334 .3250 .262 .00057 .00075 .0042 .000375 .00030 .00060
	MgY .27167 .54334 .3250 .219 .00057 .00075 .0042 .000375 .00030 .00060
	MnY .27167 .54334 .3250 .002 .00057 .00075 .0042 .000375 .00030 .00060
	AlY .27167 .54334 .3250 .406 .00057 .00075 .0042 .000375 .00030 .00060
	Fe3Y .27167 .54334 .3250 .080 .00057 .00075 .0042 .000375 .00030 .00060
	TiY .27167 .54334 .3250 .023 .00057 .00075 .0042 .000375 .00030 .00060
	VY .27167 .54334 .3250 .002 .00057 .00075 .0042 .000375 .00030 .00060
	CrY .27167 .54334 .3250 .003 .00057 .00075 .0042 .000375 .00030 .00060
	AlZ .29798 .26150 .6368 .883 .00061 .00055 .0023 .00026 -.00005 .00005
	MgZ .29798 .26150 .6368 .117 .00061 .00055 .0023 .00026 -.00005 .00005
	SiT .19175 .18990 .0266 .00059 .00065 .00245 .00025 -.00005 -.00016
	B .1098 .2196 .4788 .0012 .0010 .0028 .0005 .00000 .00000
	O1 0 0 .8024 .846 .0023 .0023 .007 .00115 0 0
	OH1 0 0 .8024 .094 .0023 .0023 .007 .00115 0 0
	F1 0 0 .8024 .060 .0023 .0023 .007 .00115 0 0
	O2 .0615 .1230 .5118 .0016 .0011 .0056 .00055 .00055 .0001
	OH3 .2646 .1323 .5360 .0029 .0013 .0035 .00145 .0001 .00005
	O4 .0931 .1862 .0968 .0010 .0020 .0034 .0010 .0000 .00000
	O5 .1860 .0930 .1191 .0016 .00078 .0045 .0008 .0003 .00015
	O6 .1965 .1862 .8015 .00133 .00132 .0026 .00075 -.00015 -.00005
	O7 .2853 .2855 .1048 .00083 .00081 .0042 .000235 -.0001 -.0001
	O8 .2093 .2702 .4659 .00067 .00113 .0053 .00055 -.00015 .00045
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	Fluor-schorl
	Bloodaxe E S, Hughes J M, Dyar M D, Grew E S, Guidotti C V
	American Mineralogist 84 (1999) 922-928
	Linking structure and chemistry in the schorl-dravite series
	Sample SmFalls
	Locality: Small Falls pegmatite, Rumford, Oxford County, Maine, USA
	_database_code_amcsd 0002243
	15.934 15.934 7.167 90 90 120 R3m
	atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	NaX 0 0 .25 .684 .0024 .0024 .0096 .0012 0 0
	CaX 0 0 .25 .016 .0024 .0024 .0096 .0012 0 0
	KX 0 0 .25 .015 .0024 .0024 .0096 .0012 0 0
	Fe2Y .27098 .54196 .3130 .307 .00053 .00070 .0039 .00035 .000295 .00059
	MgY .27098 .54196 .3130 .201 .00053 .00070 .0039 .00035 .000295 .00059
	MnY .27098 .54196 .3130 .006 .00053 .00070 .0039 .00035 .000295 .00059
	AlY .27098 .54196 .3130 .423 .00053 .00070 .0039 .00035 .000295 .00059
	Fe3Y .27098 .54196 .3130 .042 .00053 .00070 .0039 .00035 .000295 .00059
	TiY .27098 .54196 .3130 .008 .00053 .00070 .0039 .00035 .000295 .00059
	VY .27098 .54196 .3130 .002 .00053 .00070 .0039 .00035 .000295 .00059
	LiY .27098 .54196 .3130 .002 .00053 .00070 .0039 .00035 .000295 .00059
	AlZ .29811 .26160 .6279 .883 .00060 .00059 .0022 .000295 -.00006 .00000
	MgZ .29811 .26160 .6279 .117 .00060 .00059 .0022 .000295 -.00006 .00000
	SiT .19185 .18983 .0170 .00066 .00066 .00249 .00032 .00001 -.00006
	B .1096 .2192 .4704 .0011 .0009 .0024 .00045 .00005 .0001
	O1 0 0 .7915 .465 .0027 .0027 .0046 .00135 0 0
	F1 0 0 .7915 .301 .0027 .0027 .0046 .00135 0 0
	OH1 0 0 .7915 .234 .0027 .0027 .0046 .00135 0 0
	O2 .0616 .1232 .5035 .0019 .0010 .0060 .0005 .0001 .0002
	OH3 .2651 .13255 .5271 .0027 .00124 .0034 .00135 -.0002 -.0001
	O4 .0931 .1862 .0863 .00083 .0018 .0047 .0009 .00005 .0001
	O5 .1861 .09305 .1087 .0017 .00081 .0045 .00085 .00045 .000225
	O6 .1967 .1862 .7925 .00126 .00128 .0029 .000725 -.00005 -.00025
	O7 .2853 .2857 .0954 .00082 .00086 .0034 .00021 -.0002 -.00025
	O8 .2097 .2701 .4572 .00076 .00130 .0054 .00065 -.00005 .00045
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	Oxy-schorl
	Bloodaxe E S, Hughes J M, Dyar M D, Grew E S, Guidotti C V
	American Mineralogist 84 (1999) 922-928
	Linking structure and chemistry in the schorl-dravite series
	Sample Ru-T17-92
	Locality: Noisy Brook gneiss, Roxbury, Oxford County, Maine, USA
	_database_code_amcsd 0002244
	15.935 15.935 7.164 90 90 120 R3m
	atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	NaX 0 0 .25 .533 .0018 .0018 .0070 .0009 0 0
	CaX 0 0 .25 .017 .0018 .0018 .0070 .0009 0 0
	KX 0 0 .25 .040 .0018 .0018 .0070 .0009 0 0
	AlY .27150 .54300 .3176 .418 .00080 .00103 .0056 .000515 .00029 .00058
	Fe3Y .27150 .54300 .3176 .120 .00080 .00103 .0056 .000515 .00029 .00058
	TiY .27150 .54300 .3176 .028 .00080 .00103 .0056 .000515 .00029 .00058
	VY .27150 .54300 .3176 .005 .00080 .00103 .0056 .000515 .00029 .00058
	Fe2Y .27150 .54300 .3176 .228 .00080 .00103 .0056 .000515 .00029 .00058
	MgY .27150 .54300 .3176 .198 .00080 .00103 .0056 .000515 .00029 .00058
	AlZ .29790 .26149 .6301 .892 .00056 .00046 .0020 .000245 -.0001 -.00005
	MgZ .29790 .26149 .6301 .108 .00056 .00046 .0020 .000245 -.0001 -.00005
	SiT .19178 .18978 .0198 .00056 .00054 .0022 .00025 -.00005 -.0001
	B .1103 .2206 .4733 .0011 .0009 .0016 .00045 .00015 .0003
	O1 0 0 .7949 .853 .0025 .0025 .0050 .00125 0 0
	OH1 0 0 .7949 .041 .0025 .0025 .0050 .00125 0 0
	F1 0 0 .7949 .106 .0025 .0025 .0050 .00125 0 0
	O2 .0615 .1230 .5078 .0018 .0007 .0044 .00035 -.00005 -.0001
	OH3 .2645 .13225 .5281 .0026 .0012 .0034 .0013 -.00015 -.000075
	O4 .0931 .1862 .0891 .0009 .0015 .0045 .00075 -.0001 -.0002
	O5 .1865 .09325 .1120 .0014 .0007 .0048 .0007 .0003 .00015
	O6 .1961 .1857 .7951 .00138 .00150 .0026 .00095 -.00025 -.0005
	O7 .2849 .2854 .0978 .00078 .00080 .0040 .0002 -.00025 -.00055
	O8 .2097 .2701 .4597 .00075 .00109 .0057 .00055 .00015 .0006
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	Oxy-dravite
	Bloodaxe E S, Hughes J M, Dyar M D, Grew E S, Guidotti C V
	American Mineralogist 84 (1999) 922-928
	Linking structure and chemistry in the schorl-dravite series
	Sample Ru-T18-92
	Locality: Rumford, Oxford County, Maine, USA
	_database_code_amcsd 0002245
	15.945 15.945 7.169 90 90 120 R3m
	atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	NaX 0 0 .25 .626 .0019 .0019 .0077 .00095 0 0
	CaX 0 0 .25 .061 .0019 .0019 .0077 .00095 0 0
	KX 0 0 .25 .031 .0019 .0019 .0077 .00095 0 0
	MgY .27103 .54206 .3151 .366 .00071 .00097 .0053 .000485 .00024 .00048
	Fe2Y .27103 .54206 .3151 .176 .00071 .00097 .0053 .000485 .00024 .00048
	AlY .27103 .54206 .3151 .318 .00071 .00097 .0053 .000485 .00024 .00048
	Fe3Y .27103 .54206 .3151 .087 .00071 .00097 .0053 .000485 .00024 .00048
	TiY .27103 .54206 .3151 .041 .00071 .00097 .0053 .000485 .00024 .00048
	CrY .27103 .54206 .3151 .002 .00071 .00097 .0053 .000485 .00024 .00048
	VY .27103 .54206 .3151 .003 .00071 .00097 .0053 .000485 .00024 .00048
	LiY .27103 .54206 .3151 .002 .00071 .00097 .0053 .000485 .00024 .00048
	MnY .27103 .54206 .3151 .002 .00071 .00097 .0053 .000485 .00024 .00048
	AlZ .29813 .26163 .6300 .894 .00059 .00052 .00231 .00026 .00000 .000055
	MgZ .29813 .26163 .6300 .106 .00059 .00052 .00231 .00026 .00000 .000055
	SiT .19181 .18982 .0188 .00062 .00054 .00250 .000275 -.00001 -.000145
	B .1102 .2204 .4733 .0009 .0008 .0027 .0004 -.00005 -.0001
	O1 0 0 .7954 .669 .0018 .0018 .0050 .0009 0 0
	F1 0 0 .7954 .331 .0018 .0018 .0050 .0009 0 0
	O2 .06143 .12286 .5041 .00155 .0008 .0050 .0004 .0003 .0006
	O3 .2660 .1330 .5283 .106 .0023 .00119 .0034 .00115 -.0002 -.0001
	OH3 .2660 .1330 .5283 .894 .0023 .00119 .0034 .00115 -.0002 -.0001
	O4 .0931 .1862 .0888 .00082 .0019 .0039 .00095 .0000 .0000
	O5 .1859 .09295 .1106 .0016 .00065 .0045 .0008 .00015 .000075
	O6 .1966 .1864 .7947 .00116 .00122 .0025 .00070 -.0003 -.00035
	O7 .2851 .2854 .0979 .00085 .00069 .0036 .00024 -.0001 -.00025
	O8 .2097 .2705 .4596 .00071 .00101 .0050 .00055 -.00015 .0003
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	Fluor-dravite
	Bloodaxe E S, Hughes J M, Dyar M D, Grew E S, Guidotti C V
	American Mineralogist 84 (1999) 922-928
	Linking structure and chemistry in the schorl-dravite series
	Sample #32008
	Locality: Tait farm, Dungannon Township, Hastings County, Ontario, Canada
	_database_code_amcsd 0002246
	15.965 15.965 7.199 90 90 120 R3m
	atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	NaX 0 0 .25 .471 .00120 .00120 .0045 .00060 0 0
	CaX 0 0 .25 .368 .00120 .00120 .0045 .00060 0 0
	KX 0 0 .25 .029 .00120 .00120 .0045 .00060 0 0
	MgY .27140 .54280 .3223 .460 .00077 .00104 .0048 .00052 .000395 .00079
	Fe2Y .27140 .54280 .3223 .093 .00077 .00104 .0048 .00052 .000395 .00079
	MnY .27140 .54280 .3223 .004 .00077 .00104 .0048 .00052 .000395 .00079
	Fe3Y .27140 .54280 .3223 .288 .00077 .00104 .0048 .00052 .000395 .00079
	AlY .27140 .54280 .3223 .117 .00077 .00104 .0048 .00052 .000395 .00079
	TiY .27140 .54280 .3223 .011 .00077 .00104 .0048 .00052 .000395 .00079
	LiY .27140 .54280 .3223 .006 .00077 .00104 .0048 .00052 .000395 .00079
	AlZ .29804 .26164 .6346 .848 .00044 .00040 .00175 .000225 -.00011 -.000025
	MgZ .29804 .26164 .6346 .152 .00044 .00040 .00175 .000225 -.00011 -.000025
	SiT .19175 .18997 .0223 .00054 .00056 .00243 .00025 -.00002 -.000105
	B .1102 .2204 .4745 .0009 .0008 .0025 .0004 .00005 .0001
	F1 0 0 .8001 .495 .0011 .0011 .0051 .00055 0 0
	OH1 0 0 .8001 .020 .0011 .0011 .0051 .00055 0 0
	O1 0 0 .8001 .485 .0011 .0011 .0051 .00055 0 0
	O2 .0609 .1218 .5005 .00108 .0009 .0051 .00045 .0001 .0002
	OH3 .2678 .1339 .5338 .0019 .00114 .0028 .00095 .0001 .00005
	O4 .0922 .1844 .0931 .00094 .0017 .0031 .00085 -.00015 -.0003
	O5 .1835 .09175 .1133 .0017 .00064 .0041 .00085 .00045 .000225
	O6 .1960 .1866 .7997 .00117 .00100 .0027 .00062 -.0001 -.00025
	O7 .2847 .2846 .1027 .00084 .00090 .0039 .000215 -.0003 -.0002
	O8 .2097 .2702 .4639 .00075 .00095 .0061 .000513 .00015 .0006
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	Parisite-(Ce)
	Ni Y, Post J E, Hughes J M
	American Mineralogist 85 (2000) 251-258
	The crystal structure of parisite-(Ce), Ce2CaF(CO3)3
	sample: from Muso Mine, Columbia
	_database_code_amcsd 0002349
	12.3049 7.1056 28.2478 90 98.2416 90 Cc
	atom x y z occ Uiso
	Ce1 .473 .2448 .163 .0040
	Ce2 .80237 .2519 .16344 .0062
	Ce3 .14029 .2547 .16362 .0026
	Ce4 .52991 .2433 .33671 .0044
	Ce5 .19867 .2522 .33687 .0024
	Ce6 .85919 .2487 .33632 .0068
	Ca1 .0838 .2600 -.0001 .97 .0024
	Ce1 .0838 .2600 -.0001 .03 .0024
	Ca2 .4130 .2543 .9996 .98 .0029
	Ce2 .4130 .2543 .9996 .02 .0029
	Ca3 .7471 .2434 .0008 .98 .0032
	Ce3 .7471 .2434 .0008 .02 .0032
	F1 .970 .083 .1633 .008
	F2 .2981 .082 .1481 .006
	F3 .645 .084 .1799 .015
	F4 .028 .080 .3384 .009
	F5 .6904 .080 .3213 .006
	F6 .368 .086 .3535 .015
	O11 .390 .317 .0803 .016
	O12 .243 .427 .0378 .014
	O13 .264 .447 .1147 .019
	O21 .098 .134 .0801 .011
	O22 .591 .382 .0343 .019
	O23 .621 .347 .1116 .015
	O31 .838 .298 .0793 .012
	O32 .985 .445 .1129 .011
	O33 .941 .431 .0328 .014
	O41 .106 .295 .2510 .011
	O42 .959 .435 .2114 .017
	O43 .985 .436 .2884 .017
	O51 .836 .132 .2508 .018
	O52 .348 .379 .2916 .011
	O53 .324 .364 .2118 .010
	O61 .555 .319 .2505 .008
	O62 .700 .447 .2906 .010
	O63 .679 .453 .2113 .009
	O71 .951 .292 .4205 .018
	O72 .079 .443 .3857 .006
	O73 .0836 .432 .4678 .003
	O81 .505 .315 .4218 .024
	O82 .346 .449 .3899 .013
	O83 .3961 .425 .4695 .003
	O91 .710 .347 .3877 .011
	O92 .211 .134 .4219 .009
	O93 .737 .393 .4687 .007
	C1 .293 .403 .0768 .018
	C2 .608 .453 .0744 .006
	C3 .920 .395 .0763 .002
	C4 .012 .389 .252 .017
	C5 .341 .453 .2505 .009
	C6 .646 .407 .2492 .005
	C7 .038 .393 .4234 .001
	C8 .406 .403 .4258 .013
	C9 .723 .447 .4240 .012
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	Tamaite
	Hughes J M, Rakovan J F, Bracco R, Gunter M E
	American Mineralogist 88 (2003) 1324-1330
	The atomic arrangemetn of the ganophyllite-group modulated layer silicates as
	determined from the orthorhombic dimorph of tamaite, with the elusive 16.8 A
	ganophyllite-group superstructure revealed
	Note: signs of the y-coordinates for O24 and O25 have been changed
	_database_code_amcsd 0003154
	16.8146 25.2036 13.3866 90 90 90 Pnma
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Mn1 -.58201 -.01781 .30893 .0135 .00919 .02295 .00828 -.00092 .00035 -.00313
	Mn2 -.58477 -.99737 .55744 .0133 .00676 .02366 .00939 -.00175 -.00018 -.00609
	Mn3 -.74898 -.01450 .42999 .0151 .00748 .02824 .00958 -.00150 .00044 -.00449
	Mn4 -.74917 -.00989 .17972 .0195 .01042 .04001 .00820 .00063 .00049 .00135
	Mn5 -.91573 -.01802 .30845 .0169 .01327 .02575 .01160 -.00173 -.00020 .00136
	Mn6 -.58239 -.00233 .05744 .0092 .00528 .01654 .00578 -.00071 .00154 -.00020
	Si1 -.87449 -.11773 .4679 .0090 .00525 .01578 .00606 .00182 -.00107 -.00055
	Si2 -.85372 -.11855 .1378 .0110 .00412 .02035 .00842 .00067 -.00080 .00323
	Si3 -.53570 -.12257 .1419 .0094 .00530 .01453 .00845 -.00247 .00130 -.00172
	Si4 -.4746 -.90508 .3040 .0365 .08592 .01840 .00510 -.01249 -.00409 -.00261
	Si5 -.6939 -.10480 .0262 .0117 .00679 .02271 .00556 .00065 .00103 .00153
	Si6 -.48436 -.88666 .5307 .0095 .00513 .01577 .00756 -.00162 .00082 -.00438
	Si7 -.1349 -.90364 .3056 .0406 .09004 .02561 .00626 .02111 .00293 .00101
	Si8 -.3071 -.90682 .2005 .0397 .06938 .03503 .01467 -.01357 -.00060 .00124
	Si9 -.70962 -.81341 .8138 .0106 .00629 .01699 .00854 .00082 .00092 -.00078
	Si10 -.39833 -.81326 .6817 .0104 .00794 .01535 .00779 -.00052 -.00035 -.00131
	O1H -.6393 -.9679 .4241 .0152 .01184 .02021 .01344 -.00004 -.00164 -.00418
	H1 -.639 -.938 .421 .02
	O2H -.6942 -.0422 .5670 .0145 .01063 .02429 .00849 -.00163 .00053 -.00134
	H2 -.700 -.079 .582 .07
	O3H -.6961 -.0544 .3020 .0147 .01146 .02255 .01010 -.00031 -.00186 -.00380
	H3 -.698 -.089 .31 .10
	O4 -.6344 -.9663 .1848 .021 .02321 .03078 .00877 .00556 .00090 .00329
	O5 -.8074 -.9697 .3045 .020 .02208 .02909 .00890 -.00276 .00365 -.00407
	O6 -.8617 -.0563 .4393 .0163 -.01311 .01941 .01637 -.00169 -.00388 .00095
	O7 -.8594 -.0569 .1703 .0143 .00984 .02186 .01113 -.00059 -.00163 .00101
	O8H -.4709 -.9664 .0710 .0169 .01821 .01598 .01658 -.00150 -.00157 .00003
	H8 -.472 -.931 .086 .02
	O9 -.5281 -.0623 .1814 .019 .01618 .02209 .01872 -.00383 .00863 -.00724
	O10 -.4761 -.8772 .4114 .0188 .02189 .02350 .01090 -.00338 .00305 -.00260
	O11 -.8697 -.1261 .5881 .0185 .01970 .02625 .00962 .00291 -.00334 -.00043
	O12 -.4748 -.9487 .5548 .0117 .00870 .01535 .01109 -.00201 -.00143 -.00671
	O13 -.9622 -.1371 .4319 .0131 .00813 .01807 .01303 -.00070 -.00434 -.00081
	O14 -.0383 -.1663 .2714 .0171 .00765 .02917 .01443 -.00013 -.00299 -.00465
	O15 -.1928 -.0415 .4580 .0159 .01142 .02571 .01049 -.00003 -.00061 -.00420
	O16 -.8059 -.8791 .4093 .024 .03235 .03115 .00876 -.00227 .00018 -.00058
	O17 -.8047 -.8231 .7838 .0170 .01256 .02647 .01183 -.00295 -.00099 -.00272
	O18 -.0271 -.0316 -.1904 .0181 .02126 .02281 .01012 -.00317 -.00036 .00100
	O19 -.0836 -.1496 .0803 .019 .01024 .02477 .02207 -.00578 .00107 .01021
	O20 -.5720 -.8664 .5649 .0152 .01100 .02103 .01350 .00112 .00526 .00059
	O21 -.7269 -.8702 .5741 .018 .00571 .02851 .02017 -.00132 -.00544 -.00086
	O22 -.6470 -.8416 .7317 .0176 .01242 .02760 .01267 .00252 .00126 -.01324
	O23 -.6156 -.1305 .0751 .018 .00658 .02719 .01966 -.00023 -.00568 -.00336
	O24 -.6827 -3/4 .8214 .019 .01390 .02060 .02308 .00000 .00002 .00000
	O25 -.0793 -1/4 .1583 .019 .01442 .02221 .01969 .00000 -.00048 .00000
	O26 -.3916 -.8848 .2515 .125 .24417 .02640 .10593 -.03166 .15269 -.01455
	O27 -.2215 -.8860 .2539 .112 .19782 .04023 .09811 .02172 -.12016 -.00622
	O28 -.055 -.8849 .249 .165 .31476 .00988 .17173 .00314 .22521 .00312
	O29 -.6929 -.8436 -.0759 .020 .01580 .03148 .01224 .00944 -.00017 .00542
	Ca -.5572 .25 .734 .149 .05071 .06410 .33367 .00000 .11402 .00000
	K -.443 .25 .424 .11 .11589 .06701 .14359 .00000 -.02436 .00000
	Wat1 -.693 -1/4 .084 .15 .25037 .07566 .11216 .00000 -.00654 .00000
	Wat2 -.3175 .25 .3200 .046 .06555 .07089 .00162 .00000 -.01035 .00000
	Wat3 -.3061 -.685 .430 .13 .04868 .22396 .11204 -.00098 .00012 -.06639
	Wat4 -.612 .25 .571 .13 .22030 .03561 .13644 .00000 .09126 .00000
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	Olenite
	Ertl A, Hughes J M, Prowatke S, Rossman G R, London D, Fritz E A
	American Mineralogist 88 (2003) 1369-1376
	Mn-rich tourmaline from Austria: structure, chemistry, optical spectra, and
	relations to synthetic solid solutions
	Note: This sample may be named wrong
	Sample BT
	Locality: Eibenstein an der Thaya, Lower Austria
	_database_code_amcsd 0003156
	15.9466 15.9466 7.1384 90 90 120 R3m
	atom x y z occ Uiso
	NaX 0 0 .25 .693 .0276
	CaX 0 0 .25 .011 .0276
	KX 0 0 .25 .002 .0276
	AlY .12442 .06221 -.3585 .412 .0113
	Mn2Y .12442 .06221 -.3585 .411 .0113
	Fe2Y .12442 .06221 -.3585 .007 .0113
	LiY .12442 .06221 -.3585 .126 .0113
	AlZ .29797 .26132 -.3702 .0065
	SiT .19196 .19011 .0178 .988 .00540
	AlT .19196 .19011 .0178 .012 .00540
	B .11005 .2201 .4707 .0103
	O1 0 0 -.2007 .32 .046
	F1 0 0 -.2007 .48 .046
	OH1 0 0 -.2007 .25 .046
	O2 .06171 .1234 .4976 .0226
	O3 .2689 .13446 -.4716 .0121
	O4 .09324 .1865 .0884 .0106
	O5 .1874 .09368 .1111 .0097
	O6 .19796 .18771 -.2072 .0093
	O7 .28540 .28610 .0985 .0074
	O8 .21028 .2711 .4591 .0099
	H3 .268 .134 .439 .012
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	Olenite
	Ertl A, Hughes J M, Prowatke S, Rossman G R, London D, Fritz E A
	American Mineralogist 88 (2003) 1369-1376
	Mn-rich tourmaline from Austria: structure, chemistry, optical spectra, and
	relations to synthetic solid solutions
	Note: This sample may be named wrong
	Sample P6
	Locality: Eibenstein an der Thaya, Lower Austria
	_database_code_amcsd 0003157
	15.941 15.941 7.136 90 90 120 R3m
	atom x y z occ Uiso
	NaX 0 0 .25 .773 .0275
	CaX 0 0 .25 .032 .0275
	KX 0 0 .25 .004 .0275
	AlY .12450 .06225 -.3575 .411 .0123
	Mn2Y .12450 .06225 -.3575 .381 .0123
	Fe2Y .12450 .06225 -.3575 .006 .0123
	LiY .12450 .06225 -.3575 .161 .0123
	TiY .12450 .06225 -.3575 .002 .0123
	AlZ .29808 .26132 -.3695 .00786
	SiT .19192 .19000 .0188 .971 .00680
	AlT .19192 .19000 .0188 .029 .00680
	B .11015 .2203 .4734 .0092
	O1 0 0 -.2000 .19 .0487
	OH1 0 0 -.2000 .33 .0487
	F1 0 0 -.2000 .48 .0487
	O2 .06142 .12284 .5004 .0231
	O3 .2687 .13434 -.4710 .0129
	O4 .09329 .18658 .0887 .0108
	O5 .18716 .09358 .1110 .0111
	O6 .19761 .18748 -.2059 .0101
	O7 .28546 .28588 .0990 .0088
	O8 .21016 .27115 .4602 .0109
	H3 .271 .1355 .418 .06
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	Tetrahedrite
	Foit F F, Hughes J M
	American Mineralogist 89 (2004) 159-163
	Structural variations in mercurian tetrahedrite
	Sample A2 from the Spring Creek Claims in Harney County, Oregon
	_database_code_amcsd 0003193
	10.3310 10.3310 10.3310 90 90 90 I-43m
	atom x y z occ Uiso
	CuM1 .25 1/2 0 .967 .0209
	HgM1 .25 1/2 0 .033 .0209
	CuM2 .2168 0 0 .97 .0559
	SbX .26566 .26566 .26566 .58 .0168
	AsX .26566 .26566 .26566 .42 .0168
	S1 .1169 .1169 .35910 .0176
	S2 0 0 0 .020
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	Tetrahedrite
	Foit F F, Hughes J M
	American Mineralogist 89 (2004) 159-163
	Structural variations in mercurian tetrahedrite
	Sample E3 from the Spring Creek Claims in Harney County, Oregon
	_database_code_amcsd 0003194
	10.3794 10.3794 10.3794 90 90 90 I-43m
	atom x y z occ Uiso
	CuM1 .25 1/2 0 .880 .0217
	HgM1 .25 1/2 0 .120 .0217
	CuM2 .7839 0 0 .054
	SbX .73414 .73414 .73414 .79 .0160
	AsX .73414 .73414 .73414 .21 .0160
	S1 .8834 .8834 .6417 .0158
	S2 0 0 0 .017
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	Tetrahedrite
	Foit F F, Hughes J M
	American Mineralogist 89 (2004) 159-163
	Structural variations in mercurian tetrahedrite
	Sample C2 from the Spring Creek Claims in Harney County, Oregon
	_database_code_amcsd 0003195
	10.3777 10.3777 10.3777 90 90 90 I-43m
	atom x y z occ Uiso
	CuM1 .25 1/2 0 .880 .0221
	HgM1 .25 1/2 0 .120 .0221
	CuM2 .7840 0 0 .0543
	SbX .73436 .73436 .73436 .73 .0163
	AsX .73436 .73436 .73436 .27 .0163
	S1 .8835 .8835 .6421 .0170
	S2 0 0 0 .018
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	Tetrahedrite
	Foit F F, Hughes J M
	American Mineralogist 89 (2004) 159-163
	Structural variations in mercurian tetrahedrite
	Sample E5 from the Spring Creek Claims in Harney County, Oregon
	_database_code_amcsd 0003196
	10.4033 10.4033 10.4033 90 90 90 I-43m
	atom x y z occ Uiso
	CuM1 .25 1/2 0 .795 .0243
	HgM1 .25 1/2 0 .205 .0243
	CuM2 .7849 0 0 .99 .0515
	SbX .73550 .73550 .73550 .70 .0173
	AsX .73550 .73550 .73550 .30 .0173
	S1 .8836 .8836 .6433 .0184
	S2 0 0 0 .018
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	Olenite
	Hughes J M, Ertl A, Dyar M D, Grew E S, Wieden-beck M, Brandstatter F
	American Mineralogist 89 (2004) 447-454
	Structural and chemical response to varying B content in zoned Fe-bearing olenite
	from Koralpe, Austria
	Sample: T1
	Locality: Koralpe, Austria
	_database_code_amcsd 0003445
	15.7537 15.7537 7.0707 90 90 120 R3m
	atom x y z occ Uiso
	NaX 0 0 .25 .408 .0158
	CaX 0 0 .25 .290 .0158
	KX 0 0 .25 .002 .0158
	AlY .12149 .06074 -.32526 .779 .0097
	LiY .12149 .06074 -.32526 .122 .0097
	Fe2Y .12149 .06074 -.32526 .028 .0097
	Mn2Y .12149 .06074 -.32526 .003 .0097
	MgY .12149 .06074 -.32526 .002 .0097
	TiY .12149 .06074 -.32526 .002 .0097
	AlZ .29671 .26049 -.35784 .00898
	SiT .19120 .18935 .03544 .832 .00789
	BT .19120 .18935 .03544 .103 .00789
	AlT .19120 .18935 .03544 .060 .00789
	BeT .19120 .18935 .03544 .006 .00789
	B .10908 .21815 .48617 .0085
	O1 0 0 -.1925 .59 .0159
	OH1 0 0 -.1925 .41 .0159
	O2 .05986 .11972 .5246 .0150
	O3 .25944 .12972 -.4586 .0135
	O4 .09389 .18777 .1101 .0141
	O5 .18588 .09294 .1309 .0147
	O6 .19343 .18312 -.1910 .0099
	O7 .28650 .28584 .1102 .0100
	O8 .20935 .26996 .4710 .0098
	H3 .252 .126 .400 .08
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	Olenite
	Hughes J M, Ertl A, Dyar M D, Grew E S, Wieden-beck M, Brandstatter F
	American Mineralogist 89 (2004) 447-454
	Structural and chemical response to varying B content in zoned Fe-bearing olenite
	from Koralpe, Austria
	Sample: T2
	Locality: Koralpe, Austria
	_database_code_amcsd 0003446
	15.7713 15.7713 7.0760 90 90 120 R3m
	atom x y z occ Uiso
	NaX 0 0 .25 .48 .0170
	CaX 0 0 .25 .241 .0170
	AlY .12143 .06071 -.32815 .741 .0096
	LiY .12143 .06071 -.32815 .114 .0096
	Fe2Y .12143 .06071 -.32815 .063 .0096
	MgY .12143 .06071 -.32815 .003 .0096
	TiY .12143 .06071 -.32815 .003 .0096
	Mn2Y .12143 .06071 -.32815 .002 .0096
	AlZ .29674 .26042 -.35941 .00881
	SiT .19136 .18949 .03338 .855 .00754
	AlT .19136 .18949 .03338 .049 .00754
	BeT .19136 .18949 .03338 .005 .00754
	BT .19136 .18949 .03338 .090 .00754
	B .10914 .21828 .48456 .0084
	O1 0 0 -.1938 .68 .0180
	OH1 0 0 -.1938 .32 .0180
	O2 .06000 .12000 .5217 .0161
	O3 .26057 .13029 -.4602 .0141
	O4 .09384 .18767 .1077 .0136
	O5 .18598 .09299 .1287 .0141
	O6 .19389 .18359 -.1930 .0100
	O7 .28653 .28595 .1089 .0098
	O8 .20938 .27000 .4696 .0098
	H3 .256 .128 .411 .07
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	Olenite
	Hughes J M, Ertl A, Dyar M D, Grew E S, Wieden-beck M, Brandstatter F
	American Mineralogist 89 (2004) 447-454
	Structural and chemical response to varying B content in zoned Fe-bearing olenite
	from Koralpe, Austria
	Sample: T3
	Locality: Koralpe, Austria
	_database_code_amcsd 0003447
	15.7959 15.7959 7.0815 90 90 120 R3m
	atom x y z occ Uiso
	Na 0 0 .75 .478 .0170
	Ca 0 0 .75 .252 .0170
	AlY .87871 .93935 .32912 .705 .0099
	Fe2Y .87871 .93935 .32912 .112 .0099
	LiY .87871 .93935 .32912 .091 .0099
	Mn2Y .87871 .93935 .32912 .005 .0099
	MgY .87871 .93935 .32912 .004 .0099
	TiY .87871 .93935 .32912 .003 .0099
	AlZ .70312 .73953 .35947 .00886
	SiT .80847 .81037 .96712 .874 .00762
	AlT .80847 .81037 .96712 .042 .00762
	BeT .80847 .81037 .96712 .005 .00762
	BT .80847 .81037 .96712 .080 .00762
	B .89084 .78168 .51582 .0088
	O1 0 0 .1927 .69 .0210
	OH1 0 0 .1927 .31 .0210
	O2 .93984 .87969 .4796 .0170
	O3 .73834 .86917 .4604 .0145
	O4 .90624 .81248 .8933 .0137
	O5 .81398 .90699 .8719 .0143
	O6 .80548 .81585 .1934 .0105
	O7 .71346 .71399 .8910 .0101
	O8 .79066 .72996 .5304 .0102
	H3 .742 .871 .591 .06
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	Olenite
	Hughes J M, Ertl A, Dyar M D, Grew E S, Wieden-beck M, Brandstatter F
	American Mineralogist 89 (2004) 447-454
	Structural and chemical response to varying B content in zoned Fe-bearing olenite
	from Koralpe, Austria
	Sample: T4
	Locality: Koralpe, Austria
	_database_code_amcsd 0003448
	15.8472 15.8472 7.0988 90 90 120 R3m
	atom x y z occ Uiso
	NaX 0 0 .25 .545 .0178
	CaX 0 0 .25 .245 .0178
	AlY .12142 .06071 -.33189 .597 .0098
	Fe2Y .12142 .06071 -.33189 .223 .0098
	LiY .12142 .06071 -.33189 .075 .0098
	MgY .12142 .06071 -.33189 .013 .0098
	Mn2Y .12142 .06071 -.33189 .007 .0098
	TiY .12142 .06071 -.33189 .004 .0098
	AlZ .29709 .26061 -.36039 .0087
	SiT .19179 .18986 .03137 .892 .0074
	AlT .19179 .18986 .03137 .045 .0074
	BeT .19179 .18986 .03137 .004 .0074
	BT .19179 .18986 .03137 .059 .0074
	B .10938 .21876 .48285 .0090
	O1 0 0 -.1930 .75 .0257
	OH1 0 0 -.1930 .25 .0257
	O2 .06044 .12088 .5170 .0184
	O3 .2634 .13169 -.4615 .0145
	O4 .09357 .18715 .1045 .0135
	O5 .1862 .09310 .1264 .0142
	O6 .19538 .18497 -.1950 .0108
	O7 .28663 .28622 .1084 .0101
	O8 .20935 .27011 .4685 .0106
	H3 .262 .131 .416 .05
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	Olenite
	Hughes J M, Ertl A, Dyar M D, Grew E S, Wieden-beck M, Brandstatter F
	American Mineralogist 89 (2004) 447-454
	Structural and chemical response to varying B content in zoned Fe-bearing olenite
	from Koralpe, Austria
	Sample: T5
	Locality: Koralpe, Austria
	_database_code_amcsd 0003449
	15.9013 15.9013 7.1213 90 90 120 R3m
	atom x y z occ Uiso
	NaX 0 0 .25 .632 .0196
	CaX 0 0 .25 .145 .0196
	AlY .12204 .06102 -.33702 .440 .0099
	Fe2Y .12204 .06102 -.33702 .401 .0099
	LiY .12204 .06102 -.33702 .063 .0099
	MgY .12204 .06102 -.33702 .029 .0099
	TiY .12204 .06102 -.33702 .009 .0099
	Mn2Y .12204 .06102 -.33702 .008 .0099
	AlZ .29753 .26084 -.36206 .00843
	SiT .19190 .18994 .02874 .921 .0071
	AlT .19190 .18994 .02874 .022 .0071
	BeT .19190 .18994 .02874 .002 .0071
	BT .19190 .18994 .02874 .056 .0071
	B .10971 .21943 .48112 .0097
	O1 0 0 -.1936 .81 .0325
	OH1 0 0 -.1936 .19 .0325
	O2 .06093 .12185 .5137 .0194
	O3 .2653 .13262 -.4628 .0153
	O4 .09344 .18688 .1002 .0139
	O5 .1867 .09335 .1224 .0139
	O6 .19643 .18609 -.1969 .0115
	O7 .28616 .28613 .1067 .0107
	O8 .20954 .27039 .4672 .0117
	H3 .263 .132 .420 .04
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	Fluorapatite
	Hughes J M, Ertl A, Bernhardt H J, Rossman G R, Rakovan J F
	American Mineralogist 89 (2004) 629-632
	Mn-rich fluorapatite from Autria: Crystal structure, chemical analysis, and
	spectroscopic investigations
	_database_code_amcsd 0003527
	9.3429 9.3429 6.8110 90 90 120 P6_3/m
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ca1 1/3 2/3 -.00256 .72 .0131 .0137 .0137 .0118 .00683 0 0
	Mn1 1/3 2/3 -.00256 .28 .0131 .0137 .0137 .0118 .00683 0 0
	Ca2 .75861 .75194 .25 .96 .0124 .0139 .0124 .0115 .0069 0 0
	Mn2 .75861 .75194 .25 .04 .0124 .0139 .0124 .0115 .0069 0 0
	P .60081 .97137 .25 .0095 .0091 .0079 .0117 .0043 0 0
	O1 .6690 .15855 .25 .0159 .0202 .0086 .0190 .0074 0 0
	O2 .4111 .8767 .25 .0288 .0096 .0138 .062 .0048 0 0
	O3 .6591 .91763 .0701 .0274 .0537 .0246 .0156 .0284 .0142 .0066
	F 0 0 .25 .0305 .0176 .0176 .056 .0088 0 0
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	Apatite-(CaF)
	Hughes J M, Ertl A, Bernhardt H J, Rossman G R, Rakovan J F
	American Mineralogist 89 (2004) 629-632
	Mn-rich fluorapatite from Autria: Crystal structure, chemical analysis, and
	spectroscopic investigations
	_database_code_amcsd 0003528
	9.3429 9.3429 6.8110 90 90 120 P6_3/m
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ca1 1/3 2/3 -.00256 .72 .0131 .0137 .0137 .0118 .00683 0 0
	Mn1 1/3 2/3 -.00256 .28 .0131 .0137 .0137 .0118 .00683 0 0
	Ca2 .75861 .75194 .25 .96 .0124 .0139 .0124 .0115 .0069 0 0
	Mn2 .75861 .75194 .25 .04 .0124 .0139 .0124 .0115 .0069 0 0
	P .60081 .97137 .25 .0095 .0091 .0079 .0117 .0043 0 0
	O1 .6690 .15855 .25 .0159 .0202 .0086 .0190 .0074 0 0
	O2 .4111 .8767 .25 .0288 .0096 .0138 .062 .0048 0 0
	O3 .6591 .91763 .0701 .0274 .0537 .0246 .0156 .0284 .0142 .0066
	F 0 0 .25 .0305 .0176 .0176 .056 .0088 0 0
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	Rossmanite
	Ertl A, Rossman G R, Hughes J M, Prowatke S, Ludwig T
	American Mineralogist 90 (2005) 481-487
	Mn-bearing "oxy-rossmanite" with tetrahedrally-coordinated Al and B from
	Austria: Structure, chemistry, and infrared and optical spectroscopic study
	Sample: REDT1
	Reported formula: (Na.46 Ca.01) (Al2.37 Li.33 Mn2+.25 Fe2+.04 Ti4+.01) Al6
	(Si5.47 Al.28 B.25) O18 (BO3)3 [(OH)2.85 O.15] [O.86 (OH).10 F.04]
	Tourmaline
	Locality: Eibenstein an der Thaya, Lower Austria
	_database_code_amcsd 0003738
	15.8031 15.8031 7.0877 90 90 120 R3m
	atom x y z occ Uiso
	NaX 0 0 .25 .46 .0275
	CaX 0 0 .25 .01 .0275
	AlY .12146 .06073 -.3362 .790 .00814
	LiY .12146 .06073 -.3362 .110 .00814
	Mn2Y .12146 .06073 -.3362 .083 .00814
	Fe2Y .12146 .06073 -.3362 .013 .00814
	Ti4Y .12146 .06073 -.3362 .003 .00814
	AlZ .29651 .25999 -.3643 .00762
	SiT .19154 .18958 .0303 .912 .00598
	BT .19154 .18958 .0303 .042 .00598
	AlT .19154 .18958 .0303 .047 .00598
	B .10956 .21912 .4803 .0077
	O1 0 0 -.2052 .86 .0149
	OH1 0 0 -.2052 .10 .0149
	F1 0 0 -.2052 .04 .0149
	O2 .06065 .12131 .5205 .0130
	O3 .25787 .12893 -.4636 .0126
	O4 .09524 .19049 .1043 .0124
	O5 .18806 .09403 .1258 .0127
	O6 .19340 .18302 -.1974 .00945
	O7 .28717 .28662 .1044 .00906
	O8 .20959 .27052 .4649 .00910
	H3 .251 .1256 .423 .95 .053
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	Rossmanite
	Ertl A, Rossman G R, Hughes J M, Prowatke S, Ludwig T
	American Mineralogist 90 (2005) 481-487
	Mn-bearing "oxy-rossmanite" with tetrahedrally-coordinated Al and B from
	Austria: Structure, chemistry, and infrared and optical spectroscopic study
	Sample: REDT4
	Reported formula: (Na.46 Ca.01) (Al2.35 Li.32 Mn2+.28 Fe2+.04 Ti4+.01) Al6
	(Si5.51 Al.25 B.24) O18 (BO3)3 [(OH)2.80 O.20] [O.86 (OH).10 F.04]
	Tourmaline
	Locality: Eibenstein an der Thaya, Lower Austria
	_database_code_amcsd 0003739
	15.8171 15.8171 7.0935 90 90 120 R3m
	atom x y z occ Uiso
	NaX 0 0 .25 .46 .0278
	CaX 0 0 .25 .01 .0278
	AlY .12150 .06075 -.3364 .783 .0087
	LiY .12150 .06075 -.3364 .107 .0087
	Mn2Y .12150 .06075 -.3364 .093 .0087
	Fe2Y .12150 .06075 -.3364 .013 .0087
	Ti4Y .12150 .06075 -.3364 .004 .0087
	AlZ .29652 .26001 -.3646 .00795
	SiT .19152 .18960 .0302 .918 .00585
	AlT .19152 .18960 .0302 .042 .00585
	BT .19152 .18960 .0302 .040 .00585
	B .10969 .21937 .4801 .0084
	O1 0 0 -.2049 .86 .0148
	OH1 0 0 -.2049 .10 .0148
	F1 0 0 -.2049 .04 .0148
	O2 .06064 .12128 .5202 .0134
	O3 .25794 .12897 -.4638 .0128
	O4 .09530 .19060 .1038 .0133
	O5 .18804 .09402 .1252 .0138
	O6 .19336 .18311 -.1976 .0101
	O7 .28715 .28675 .1038 .0093
	O8 .20954 .27049 .4646 .0098
	H3 .246 .1231 .415 .933 .054
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	Na.58Ag.18Mg2.12Al6.98B3Si5.90O27.53OH3F.47
	London D, Ertl A, Hughes J M, Morgan VI G B, Fritz E A, Harms B S
	American Mineralogist 91 (2006) 680-684
	Synthetic Ag-rich tourmaline: Structure and chemistry
	Note: Y(B) adjusted to satisfy symmetry constraint
	_database_code_amcsd 0004143
	15.8995 15.8995 7.1577 90 90 120 R3m
	atom x y z occ Uiso
	NaX 0 0 .75 .58 .0186
	AgX 0 0 .75 .18 .0186
	AlY .87520 .93760 .3440 .513 .0109
	MgY .87520 .93760 .3440 .487 .0109
	AlZ .70238 .73859 .3647 .89 .0063
	MgZ .70238 .73859 .3647 .11 .0063
	Si .80832 .81032 .9752 .983 .00571
	Al .80832 .81032 .9752 .017 .00571
	B .8903 .7806 .5220 .0083
	OH1W 0 0 .2057 .53 .0114
	F1W 0 0 .2057 .47 .0114
	O2 .93904 .8781 .4877 .0123
	O3V .7365 .86825 .4655 .0115
	O4 .90628 .8126 .9039 .0115
	O5 .8145 .90727 .8815 .0112
	O6 .80489 .81525 .2000 .0092
	O7 .71404 .71441 .8975 .0086
	O8 .78999 .72960 .5356 .0098
	H3 .743 .871 .563 .008
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Merrillite
	Hughes J M, Jolliff B L, Gunter M E
	American Mineralogist 91 (2006) 1547-1552
	The atomic arrangement of merrillite from the Fra Mauro Formation, Apollo 14
	lunar mission: The first structure of merrillite from the Moon
	_database_code_amcsd 0004238
	10.2909 10.2909 36.8746 90 90 120 R3c
	atom x y z occ Uiso
	Na 0 0 .8137 .23 .07
	Ca1 .2763 .1398 .67489 .0247
	Ca2 .2745 .1376 .56760 .0195
	Ca3 .3805 .1887 .76925 .0251
	Mg 0 0 0 .80 .0144
	Fe 0 0 0 .20 .0144
	P1 0 0 .73247 .93 .0193
	P2 .3151 .1390 .86556 .88 .011
	P3 .3429 .1539 .96904 .89 .016
	O1 0 0 .6905 .027
	O2 -.0075 .1375 .7450 .032
	O3 .2713 .0915 .8262 .031
	O4 .247 .233 .8792 .029
	O5 .2717 -.001 .8881 .021
	O6 .4887 .245 .8694 .029
	O7 .3776 .189 .0092 .028
	O8 .3993 .0509 .9564 .028
	O9 .4141 .3040 .9491 .026
	O10 .1723 .084 .9622 .026
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	Fluor-liddicoatite
	Ertl A, Hughes J M, Prowatke S, Ludwig T, Prasad P S R, Brandstatter F,
	Korner W, Schuster R, Pertlik F, Marschall H
	American Mineralogist 91 (2006) 1847-1856
	Tetrahedrally-coordinated boron in tourmalines from the liddicoatite-elbaite
	series from Madagascar: Structure, chemistry, and infrared spectroscopic studies
	Locality: Anjanabonoina, Madagascar
	Sample: LID3NEW
	_database_code_amcsd 0004246
	15.8322 15.8322 7.1034 90 90 120 R3m
	atom x y z occ Uiso
	CaX 0 0 .75 .57 .0069
	NaX 0 0 .75 .29 .0069
	AlY -.12340 -.06170 .3518 .47 .0104
	LiY -.12340 -.06170 .3518 .44 .0104
	Mn2+Y -.12340 -.06170 .3518 .02 .0104
	AlZ -.29675 -.25965 .37670 .00810
	SiT -.19203 -.19009 -.01194 .98 .00557
	BT -.19203 -.19009 -.01194 .02 .00557
	B -.10891 -.21782 -.4668 .0082
	F1W 0 0 .2026 .76 .0365
	O1W 0 0 .2026 .24 .0365
	O2 -.05989 -.11978 -.4938 .0191
	O3V -.26830 -.13415 .4783 .0129
	O4 -.09253 -.18506 -.0866 .0106
	O5 -.18439 -.092145 -.1081 .0109
	O6 -.19564 -.18583 .2123 .0097
	O7 -.28612 -.28547 -.09272 .00845
	O8 -.20964 -.27022 -.4530 .0098
	H1W -.0552 -.0276 .151 .08 .000
	H3V -.267 -.1335 -.419 .041
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Fluor-liddicoatite
	Ertl A, Hughes J M, Prowatke S, Ludwig T, Prasad P S R, Brandstatter F,
	Korner W, Schuster R, Pertlik F, Marschall H
	American Mineralogist 91 (2006) 1847-1856
	Tetrahedrally-coordinated boron in tourmalines from the liddicoatite-elbaite
	series from Madagascar: Structure, chemistry, and infrared spectroscopic studies
	Locality: Anjanabonoina, Madagascar
	Sample: LID6A1
	_database_code_amcsd 0004247
	15.8204 15.8204 7.0955 90 90 120 R3m
	atom x y z occ Uiso
	CaX 0 0 .25 .50 .0093
	NaX 0 0 .25 .34 .0093
	AlY .12266 .06133 -.3470 .52 .0104
	LiY .12266 .06133 -.3470 .38 .0104
	Fe2+Y .12266 .06133 -.3470 .02 .0104
	Mn2+Y .12266 .06133 -.3470 .01 .0104
	AlZ .29675 .25979 -.37409 .00827
	SiT .19196 .19000 .01538 .96 .00611
	BT .19196 .19000 .01538 .04 .00611
	B .10895 .21790 .4698 .0082
	F1W 0 0 -.2009 .56 .0325
	O1W 0 0 -.2009 .44 .0325
	O2 .05996 .11992 .4991 .0188
	O3V .26689 .133445 -.4759 .0138
	O4 .09279 .18558 .0900 .0112
	O5 .18494 .09247 .1115 .0117
	O6 .19538 .18539 -.2093 .00974
	O7 .28627 .28561 .09517 .00873
	O8 .20955 .27011 .45548 .00982
	H1W .0538 .0269 -.145 .147 .000
	H3V .263 .1315 .413 .049
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Fluor-liddicoatite
	Ertl A, Hughes J M, Prowatke S, Ludwig T, Prasad P S R, Brandstatter F,
	Korner W, Schuster R, Pertlik F, Marschall H
	American Mineralogist 91 (2006) 1847-1856
	Tetrahedrally-coordinated boron in tourmalines from the liddicoatite-elbaite
	series from Madagascar: Structure, chemistry, and infrared spectroscopic studies
	Locality: Anjanabonoina, Madagascar
	Sample: LID52
	_database_code_amcsd 0004248
	15.8119 15.8119 7.0925 90 90 120 R3m
	atom x y z occ Uiso
	CaX 0 0 .25 .41 .0110
	NaX 0 0 .25 .41 .0110
	AlY .12240 .06120 -.34536 .54 .0102
	LiY .12240 .06120 -.34536 .36 .0102
	Mn2+Y .12240 .06120 -.34536 .01 .0102
	Fe2+Y .12240 .06120 -.34536 .01 .0102
	AlZ .29674 .25991 -.37294 .00815
	SiT .19188 .18990 .01696 .95 .00605
	BT .19188 .18990 .01696 .05 .00605
	B .10895 .21790 .4713 .0083
	F1W 0 0 -.2006 .51 .0303
	O1W 0 0 -.2006 .49 .0303
	O2 .05999 .11998 .5022 .0183
	O3V .26596 .13298 -.4746 .0138
	O4 .09304 .18608 .0913 .0113
	O5 .18534 .09267 .1129 .0118
	O6 .19522 .18508 -.20791 .00971
	O7 .28630 .28569 .09613 .00872
	O8 .20954 .27009 .45660 .00976
	H1W .0543 .02715 -.146 .163 .000
	H3V .263 .1315 .418 .052
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Elbaite
	Ertl A, Hughes J M, Prowatke S, Ludwig T, Prasad P S R, Brandstatter F,
	Korner W, Schuster R, Pertlik F, Marschall H
	American Mineralogist 91 (2006) 1847-1856
	Tetrahedrally-coordinated boron in tourmalines from the liddicoatite-elbaite
	series from Madagascar: Structure, chemistry, and infrared spectroscopic studies
	Locality: Anjanabonoina, Madagascar
	Sample: LC1
	_database_code_amcsd 0004249
	15.8095 15.8095 7.0941 90 90 120 R3m
	atom x y z occ Uiso
	NaX 0 0 .25 .46 .0138
	CaX 0 0 .25 .30 .0138
	AlY .12250 .06125 -.3432 .61 .0099
	LiY .12250 .06125 -.3432 .30 .0099
	AlZ .29678 .26009 -.37143 .00846
	SiT .19165 .18970 .01911 .93 .00651
	BT .19165 .18970 .01911 .07 .00651
	B .10909 .21818 .4732 .0083
	F1W 0 0 -.2009 .50 .0275
	O1W 0 0 -.2009 .50 .0275
	O2 .06001 .12002 .5064 .0173
	O3V .26455 .132275 -.4729 .0146
	O4 .09329 .18658 .0932 .0118
	O5 .18584 .09292 .1146 .0122
	O6 .19487 .18469 -.2058 .00993
	O7 .28619 .28565 .0973 .00912
	O8 .20959 .27011 .4580 .00986
	H1W .0529 .02645 -.140.167 .000
	H3V .262 .131 .423 .047
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	Whitlockite
	Hughes J M, Jolliff B L, Rakovan J
	American Mineralogist 93 (2008) 1300-1305
	The crystal chemistry of whitlockite and merrillite and the dehydrogenation of whitlockite to merrillite
	Locality: Palermo Mine, North Groton, Grafton County, New Hampshire
	_database_code_amcsd 0004622
	10.3612 10.3612 37.096 90 90 120 R3c
	atom x y z occ Uiso
	Mg 0 0 0 .571 .0089
	Fe 0 0 0 .429 .0089
	CaB1 .27895 .14521 .56616 .01015
	CaB2 .38756 .17949 .76821 .01128
	CaB .28589 .15301 .67340 .02297
	PB1 .31608 .14232 .86487 .00908
	PB2 .34973 .15633 .96794 .00909
	OIB1 .2719 .0913 .82566 .0199
	OIIB1 .24554 .23150 .87850 .0154
	OIIB3 .27315 .00089 .88698 .0118
	OIIB5 .48750 .24141 .86869 .0139
	OIIB2 .39897 .04698 .95475 .0138
	OIIB4 .41720 .30286 .94715 .0170
	OIIB6 .17844 .07904 .96333 .0121
	OIB2 .3989 .19368 .00765 .0174
	OHIA 0 0 .7974 .693 .034
	PA 0 0 .75472 .725 .0128
	OIIA -.0230 .1290 .7409 .57 .0111
	CaIIA 0 0 .8111 .181 .038
	PA' 0 0 .73290 .275 .0048
	OIA' 0 0 .6923 .307 .011
	OIIA' -.0068 .1359 .7484 .43 .0115
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	Whitlockite
	Hughes J M, Jolliff B L, Rakovan J
	American Mineralogist 93 (2008) 1300-1305
	The crystal chemistry of whitlockite and merrillite and the
	dehydrogenation of whitlockite to merrillite
	Locality: Tip Top Pegmatite, Custer County, South Dakota
	_database_code_amcsd 0004623
	10.3477 10.3477 37.077 90 90 120 R3c
	atom x y z occ Uiso
	CaIIB1 .28086 .14684 .56524 .01064
	CaIIB2 .38857 .18041 .76783 .01180
	CaIB .29316 .15677 .67249 .02103
	CaIIA' 0 0 .804 .061 .16
	Mg 0 0 0 .986 .0092
	Fe 0 0 0 .014 .0092
	PB1 .31789 .14369 .86415 .00928
	PB2 .35105 .15782 .96743 .00905
	OIB1 .27590 .09227 .82502 .0176
	OIIB1 .24752 .23409 .87751 .0153
	OIIB3 .27268 .00219 .88649 .0119
	OIIB5 .48953 .24215 .86839 .0127
	OIIB2 .39930 .04767 .95395 .0141
	OIIB4 .41485 .30319 .94625 .0158
	OIIB6 .17944 .07920 .96426 .0110
	OIB2 .40594 .19802 .00678 .0145
	OHIA 0 0 .79603 .890 .0281
	PA 0 0 .75338 .961 .0137
	OIIA -.0254 .1266 .7394 .66 .0115
	PA' 0 0 .7306 .039 .000
	OIA' 0 0 .6900 .110 .035
	OIIA' -.0111 .1350 .7463 .34 .0138
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	Whitlockite
	Hughes J M, Jolliff B L, Rakovan J
	American Mineralogist 93 (2008) 1300-1305
	The crystal chemistry of whitlockite and merrillite and the
	dehydrogenation of whitlockite to merrillite
	Locality: synthetic
	Note: Standard temperature and pressure
	_database_code_amcsd 0004624
	10.3571 10.3571 37.138 90 90 120 R3c
	atom x y z occ Uiso
	CaIIB1 .28103 .14681 .56524 .01046
	CaIIB2 .38774 .18010 .76772 .01083
	CaIB .29481 .15772 .67220 .02000
	CaIIA' 0 0 .785 .060 .21
	Mg 0 0 0 .921 .0086
	Fe 0 0 0 .079 .0086
	PB1 .31784 .14377 .86425 .00902
	PB2 .35115 .15823 .96727 .00883
	OIB1 .27767 .09381 .82512 .0179
	OIIB1 .24695 .23366 .87756 .0145
	OIIB3 .27216 .00147 .88632 .0118
	OIIB5 .48960 .24229 .86891 .0146
	OIIB2 .39967 .04862 .95375 .0141
	OIIB4 .41517 .30397 .94640 .0158
	OIIB6 .17978 .07952 .96382 .0126
	OIB2 .40528 .19756 .00669 .0149
	OHIA 0 0 .79590 .870 .0259
	PA 0 0 .75349 .943 .0112
	PA' 0 0 .7305 .057 .001
	OIA' 0 0 .6889 .130 .049
	OIIA' -.02053 .12951 .74144 .0172
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	Whitlockite
	Hughes J M, Jolliff B L, Rakovan J
	American Mineralogist 93 (2008) 1300-1305
	The crystal chemistry of whitlockite and merrillite and the
	dehydrogenation of whitlockite to merrillite
	Locality: synthetic
	Note: Heated at 500 degrees C
	_database_code_amcsd 0004625
	10.3597 10.3597 37.161 90 90 120 R3c
	atom x y z occ Uiso
	CaIIB1 .28105 .14678 .56529 .01021
	CaIIB2 .38763 .18007 .76769 .01061
	CaIB .29466 .15765 .67217 .02021
	CaIIA' 0 0 .794 .036 .09
	Mg 0 0 0 .916 .0080
	Fe 0 0 0 .084 .0080
	PB1 .31784 .14377 .86430 .00866
	PB2 .35111 .15826 .96727 .00865
	OIB1 .27761 .09418 .82513 .0180
	OIIB1 .24689 .23367 .87760 .0143
	OIIB3 .27196 .00130 .88626 .0116
	OIIB5 .48942 .24224 .86896 .0146
	OIIB2 .39968 .04875 .95375 .0139
	OIIB4 .41539 .30422 .94649 .0157
	OIIB6 .17993 .07962 .96367 .0129
	OIB2 .40458 .19726 .00667 .0149
	OHIA 0 0 .79602 .831 .0261
	PA 0 0 .75359 .926 .0111
	PA' 0 0 .7308 .074 .002
	OIA' 0 0 .6889 .169 .048
	OIIA' -.0200 .1305 .74108 .76 .0105
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	Merrillite
	Hughes J M, Jolliff B L, Rakovan J
	American Mineralogist 93 (2008) 1300-1305
	The crystal chemistry of whitlockite and merrillite and the
	dehydrogenation of whitlockite to merrillite
	Locality: synthetic
	Note: Formed through dehydrogenation of synthetic whitlockite
	by heating at 1050 degrees C for 24 hours
	_database_code_amcsd 0004626
	10.3499 10.3499 37.115 90 90 120 R3c
	atom x y z occ Uiso
	CaIIB1 .27347 .14232 .56805 .00999
	CaIIB2 .38364 .17687 .76923 .01083
	CaIB .27226 .14701 .67506 .01981
	CaIIA' 0 0 .81260 .443 .0147
	Mg 0 0 0 .935 .0086
	Fe 0 0 0 .065 .0086
	PB1 .31343 .13900 .86563 .00944
	PB2 .34384 .15160 .96931 .00837
	OIB1 .26151 .08320 .82711 .0210
	OIIB1 .24269 .22849 .87966 .0182
	OIIB3 .27624 -.00043 .88827 .0114
	OIIB5 .48536 .24023 .86822 .0148
	OIIB2 .39666 .04391 .95679 .0140
	OIIB4 .41985 .30068 .94937 .0163
	OIIB6 .17435 .07693 .96245 .0112
	OIB2 .37816 .18167 .00954 .0130
	PA' 0 0 .73451 .964 .0092
	OIA' 0 0 .69336 .0169
	OIIA' -.00408 .13809 .74822 .0224
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	Fluorapatite
	Luo Y, Hughes J M, Rakovan J, Pan Y
	American Mineralogist 94 (2009) 345-351
	Site preference of U and Th in Cl, F, and Sr apatites
	Locality: synthetic
	Note: UFAP
	_database_code_amcsd 0004837
	9.3709 9.3709 6.8849 90 90 120 P6_3/m
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ca1 2/3 1/3 .00103 .999 .0106 .0121 .0121 .0074 .0060 0 0
	Ca2 .75983 .00774 1/4 .986 .0095 .0113 .0091 .0087 .0054 0 0
	U2 .75983 .00774 1/4 .014 .0095 .0113 .0091 .0087 .0054 0 0
	P .60199 .63110 1/4 .0069 .0074 .0065 .0070 .0037 0 0
	O1 .6747 .5161 1/4 .0116 .0144 .0110 .0130 .0092 0 0
	O2 .41220 .53290 1/4 .0132 .0081 .0103 .0198 .0034 0 0
	O3 .65863 .74315 .0706 .0153 .0250 .0137 .0105 .0120 .0077 .0046
	F 0 0 1/4 .0220 .0125 .0125 .0409 .0063 0 0
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	Chlorapatite
	Luo Y, Hughes J M, Rakovan J, Pan Y
	American Mineralogist 94 (2009) 345-351
	Site preference of U and Th in Cl, F, and Sr apatites
	Locality: synthetic
	Note: UClAP
	_database_code_amcsd 0004838
	9.6233 9.6233 6.7784 90 90 120 P6_3/m
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ca1 2/3 1/3 -.00328 .994 .0142 .0168 .0168 .0092 .0084 0 0
	U1 2/3 1/3 -.00328 .006 .0142 .0168 .0168 .0092 .0084 0 0
	Ca2 .26006 .00142 1/4 .993 .0148 .0150 .0172 .0113 .0072 0 0
	U2 .26006 .00142 1/4 .007 .0148 .0150 .0172 .0113 .0072 0 0
	P .40541 .37322 1/4 .0096 .0107 .0094 .0096 .0056 0 0
	O1 .34064 .49039 1/4 .0176 .0270 .0186 .0154 .0175 0 0
	O2 .59083 .46428 1/4 .0188 .0116 .0141 .0293 .0053 0 0
	O3 .35241 .26521 .06722 .0261 .0433 .0225 .0219 .0235 -.0188 -.0123
	Cl 0 0 .05959 .0681 .0220 .0220 .1623 .0110 0 0
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	Fluorapatite
	Luo Y, Hughes J M, Rakovan J, Pan Y
	American Mineralogist 94 (2009) 345-351
	Site preference of U and Th in Cl, F, and Sr apatites
	Locality: synthetic
	Note: ThFAP
	_database_code_amcsd 0004839
	9.375 9.375 6.883 90 90 120 P6_3/m
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ca1 2/3 1/3 .00107 .999 .0107 .0123 .0123 .0075 .0061 0 0
	Ca2 .75984 .00764 1/4 .987 .0097 .0115 .0092 .0089 .0054 0 0
	Th2 .75984 .00764 1/4 .013 .0097 .0115 .0092 .0089 .0054 0 0
	P .60179 .63095 1/4 .0070 .0074 .0066 .0075 .0038 0 0
	O1 .6743 .51573 1/4 .0115 .0144 .0109 .0126 .0090 0 0
	O2 .41194 .53296 1/4 .0132 .0075 .0098 .0207 .0032 0 0
	O3 .65868 .74320 .07044 .0154 .0246 .0138 .0111 .0121 .0071 .0042
	F 0 0 1/4 .0220 .0119 .0119 .0422 0 0 .0060
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	Chlorapatite
	Luo Y, Hughes J M, Rakovan J, Pan Y
	American Mineralogist 94 (2009) 345-351
	Site preference of U and Th in Cl, F, and Sr apatites
	Locality: synthetic
	Note: ThClAP
	_database_code_amcsd 0004840
	9.6330 9.6330 6.7834 90 90 120 P6_3/m
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ca1 2/3 1/3 -.00277 .977 .0140 .0164 .0164 .0093 .0082 0 0
	Th1 2/3 1/3 -.00277 .023 .0140 .0164 .0164 .0093 .0082 0 0
	Ca2 .99953 .25834 1/4 .979 .0153 .0173 .0175 .0104 .0082 0 0
	Th2 .99953 .25834 1/4 .021 .0153 .0173 .0175 .0104 .0082 0 0
	P .40536 .37319 1/4 .0089 .0102 .0086 .0088 .0055 0 0
	O1 .34060 .49060 1/4 .0172 .0261 .0179 .0151 .0167 0 0
	O2 .5913 .4642 1/4 .0179 .0110 .0135 .0284 .0055 0 0
	O3 .3523 .2651 .0671 .0256 .0430 .0223 .0213 .0237 -.0192 -.0122
	Cl 0 0 -.5594 .0689 .0213 .0213 .1641 .0106 0 0
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