Pararammelsbergite
	Fleet M E
	American Mineralogist 57 (1972) 1-9
	The crystal structure of pararammelsbergite (NiAs2)
	_database_code_amcsd 0000267
	5.753 5.799 11.407 90 90 90 Pbca
	atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Ni .9970 .1755 .3717 .002946 .000595 .000231 0 0 0
	As1 .1196 .0547 .1809 .003475 .000446 .000346 0 0 0
	As2 .3664 .3084 .4308 .004230 .000743 .000403 0 0 0
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	Maucherite
	Fleet M E
	American Mineralogist 58 (1973) 203-210
	The crystal structure of maucherite (Ni11As8)
	_database_code_amcsd 0000306
	6.8724 6.8724 21.821 90 90 90 P4_12_12
	atom x y z Biso
	Ni1 .125 .373 .2686 .66
	Ni2 .375 .375 0 .43
	Ni3 .120 .569 .1734 .35
	Ni4 .608 .562 .1710 .35
	Ni5 .372 .683 .0805 .35
	Ni6 .871 .690 .0770 .35
	As1 .120 .120 0 .43
	As2 .635 .635 0 .43
	As3 .635 .129 .0004 .43
	As4 .877 .382 .125 .32
	As5 .121 .869 .1289 .32
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	Parkerite
	Fleet M E
	American Mineralogist 58 (1973) 435-439
	The crystal structure of parkerite (Ni3Bi2S2)
	_database_code_amcsd 0000318
	5.545 5.731 4.052 90 90 90 Pmam
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Ni1 .00 0 .5 0.92
	Ni2 .25 .204 0 .5 0.92
	Bi .25 .7423 0 .006423 .008601 .015836 0 0 0
	S .25 .256 .5 .009757 .057849 .062429 0 0 0
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	Heazlewoodite
	Fleet M E
	American Mineralogist 62 (1977) 341-345
	The crystal structure of heazlewoodite, and metallic bonds in sulfide minerals
	_database_code_amcsd 0000575
	4.0821 4.0821 4.0821 89.475 89.475 89.475 R32
	atom x y z Biso
	Ni .5 .247 -.247 1.13
	S .255 .255 .255 .05
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	Deerite
	Fleet M E
	American Mineralogist 62 (1977) 990-998
	The crystal structure of deerite
	Note: sample is from a riebeckite-deerite-garnet schist
	near Panoche, San Benito County, California, USA
	_database_code_amcsd 0000599
	10.786 18.880 9.564 90 107.45 90 P2_1/a
	atom x y z Biso
	Fe1 .3209 .1756 .0238 1.1
	Fe2 .3209 .1756 .3572 1.1
	Fe3 .3209 .1756 .6905 1.1
	Fe4 .1669 .3042 .1388 1.1
	Fe5 .1669 .3042 .4722 1.1
	Fe6 .1669 .3042 .8055 1.1
	Fe7 .0443 .4290 .2654 1.0
	Fe8 .0443 .4290 .5987 1.0
	Fe9 .0443 .4290 .9321 1.0
	Si1 .258 .5325 .170 1.4
	Si2 .258 .5325 .836 1.4
	Si3 .362 .4156 .371 1.1
	Si4 .362 .4156 .705 1.1
	Si5 .486 .3057 .245 1.6
	Si6 .486 .3057 .911 1.6
	O1 .253 .118 .164 1.2
	OH2 .253 .118 .497 1.2
	O3 .253 .118 .830 1.2
	O4 .132 .230 .298 1.2
	OH5 .132 .230 .631 1.2
	O6 .132 .230 .964 1.2
	O7 .492 .135 .080 1.1
	O8 .492 .135 .414 1.1
	O9 .492 .135 .747 1.1
	O10 .356 .250 .203 1.9
	OH11 .356 .250 .536 1.9
	O12 .356 .250 .870 1.9
	O13 .222 .374 .323 1.1
	O14 .222 .374 .656 1.1
	OH15 .222 .374 .990 1.1
	O16 .110 .498 .122 1.0
	OH17 .110 .498 .455 1.0
	O18 .110 .498 .788 1.0
	O19 .471 .343 .083
	O20 .477 .375 .346
	O21 .466 .368 .801
	O22 .414 .432 .551
	O23 .354 .491 .775
	O24 .356 .493 .303
	O25 .321 .516 .023
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	Albite
	Fleet M E
	American Mineralogist 76 (1991) 92-99
	Structures of low gallium albite (NaGaSi3O8) and intermediate germanium albite
	(NaAlGe3O8): Tetrahedral-site ordering in sodium feldspar
	Sample: synthetic NaAlGe3O8
	_database_code_amcsd 0001342
	8.419 13.298 7.354 94.49 116.25 90.88 C-1
	atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Ge1o .01066 .15782 .21137 .726 .00352 .00091 .00394 -.00020 .00182 .00006
	Al1o .01066 .15782 .21137 .274 .00352 .00091 .00394 -.00020 .00182 .00006
	Ge1m .00205 .81213 .22968 .625 .00370 .00101 .00383 .00053 .00157 .00017
	Al1m .00205 .81213 .22968 .375 .00370 .00101 .00383 .00053 .00157 .00017
	Ge2o .68829 .10494 .31238 .815 .00304 .00069 .00574 .00000 .00157 .00012
	Al2o .68829 .10494 .31238 .185 .00304 .00069 .00574 .00000 .00157 .00012
	Ge2m .67675 .8744 .35631 .834 .00343 .00084 .00557 .00020 .00167 .00037
	Al2m .67675 .8744 .35631 .166 .00343 .00084 .00557 .00020 .00167 .00037
	Na .2732 .0187 .12118 .00717 .01761 .03897 .00441 -.00258 -.02088
	OA1 .0105 .1281 .9783 .01144 .00156 .00539 .00068 .00480 .00052
	OA2 .5758 .9865 .2713 .00317 .00061 .00858 .00003 .00111 .00092
	OBo .8202 .0920 .1839 .00660 .00173 .01525 -.00168 .00732 -.00193
	OBm .8080 .8363 .2443 .00721 .00400 .01925 .00155 .00889 .00063
	OCo .0033 .2837 .2875 .00576 .00094 .01119 -.00055 .00429 .00035
	OCm .0152 .6822 .1971 .00603 .00110 .00876 .00095 .00020 -.00020
	ODo .2042 .1058 .3795 .00629 .00204 .00597 .00120 .00046 .00032
	ODm .1914 .8645 .4323 .00840 .00273 .00771 -.00088 -.00116 -.00029
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	Albite
	Fleet M E
	American Mineralogist 76 (1991) 92-99
	Structures of low gallium albite (NaGaSi3O8) and intermediate germanium albite
	(NaAlGe3O8): Tetrahedral-site ordering in sodium feldspar
	Sample: synthetic NaGaSi3O8
	_database_code_amcsd 0001343
	8.161 12.851 7.191 94.39 116.52 87.38 C-1
	atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Ga1o .00922 .16994 .20489 .935 .00431 .00105 .00339 -.00056 .00181 -.00003
	Si1o .00922 .16994 .20489 .065 .00431 .00105 .00339 -.00056 .00181 -.00003
	Si1m .0013 .8197 .2414 .984 .00366 .00093 .00291 -.00003 .00160 .00015
	Ga1m .0013 .8197 .2414 .016 .00366 .00093 .00291 -.00003 .00160 .00015
	Si2o .6929 .1098 .3118 .975 .00333 .00079 .00382 -.00043 .00123 -.00003
	Ga2o .6929 .1098 .3118 .025 .00333 .00079 .00382 -.00043 .00123 -.00003
	Si2m .6782 .8826 .3618 .975 .00333 .00090 .00382 -.00019 .00133 .00018
	Ga2m .6782 .8826 .3618 .025 .00333 .00090 .00382 -.00019 .00133 .00018
	Na .2689 .9877 .1484 .00717 .00664 .01673 -.00158 .00405 -.00665
	OA1 .0092 .1280 .9581 .00961 .00165 .00547 -.00035 .00453 .00033
	OA2 .5921 .9980 .2809 .00455 .00096 .00667 -.00029 .00149 .00064
	OBo .8082 .1049 .1810 .00619 .00201 .00837 -.00131 .00427 -.00085
	OBm .8174 .8454 .2648 .00600 .00221 .01116 .00032 .00512 -.00006
	OCo .0042 .3072 .2711 .00530 .00149 .00831 -.00091 .00267 -.00030
	OCm .0280 .6940 .2288 .00572 .00126 .00655 .00011 .00192 -.00015
	ODo .2153 .1073 .3878 .00675 .00160 .00467 .00005 .00080 .00012
	ODm .1779 .8678 .4423 .00652 .00184 .00637 -.00096 -.00021 .00000
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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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	Reedmergnerite
	Fleet M E
	American Mineralogist 77 (1992) 76-84
	Tetrahedral-site occupancies in reedmergnerite and synthetic boron albite
	(NaBSi3O8)
	sample from Utah
	_database_code_amcsd 0001439
	7.8388 12.3730 6.8082 93.324 116.381 92.014 C-1
	atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Na .2582 .0075 .1330 .004737 .003128 .010420 .000608 .002407 -.002036
	B1o .0121 .1616 .2215 .003005 .000840 .003248 .000029 .001585 .000167
	Si1m .00585 .80969 .20966 .002394 .000642 .002300 .000405 .001174 .000267
	Si2o .70278 .10177 .32033 .002190 .000543 .002909 .000203 .001057 .000167
	Si2m .68471 .86450 .35438 .002139 .000560 .002842 .000319 .001233 .000267
	Oa1 .0077 .1363 .0037 .004991 .001103 .002706 .000434 .002348 .000400
	Oa2 .5931 .9813 .2757 .002597 .000576 .004872 .000261 .001350 .000467
	Obo .8449 .0989 .2116 .004227 .001169 .007037 -.000550 .003992 -.000400
	Obm .8161 .8349 .2336 .003871 .001630 .006495 .000724 .003581 .000334
	Oco .0068 .2765 .2733 .003463 .000675 .006495 .000029 .002700 -.000133
	Ocm .0290 .6798 .2060 .003616 .000741 .004939 .000695 .000939 .000300
	Odo .1904 .1186 .3829 .004125 .001531 .002909 .001129 .000704 .000334
	Odm .1921 .8680 .4171 .004074 .001399 .003315 -.000029 .000587 -.000167
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	Reedmergnerite
	Fleet M E
	American Mineralogist 77 (1992) 76-84
	Tetrahedral-site occupancies in reedmergnerite and synthetic boron albite
	(NaBSi3O8)
	sample low boron albite Gb100
	_database_code_amcsd 0001440
	7.852 12.350 6.806 93.37 116.30 91.58 C-1
	atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Na .2640 .0079 .1335 .009114 .006009 .017705 .001070 .003627 -.004709
	B1o .0083 .1640 .2213 .805 .004253 .001205 .003311 .000376 .001813 .000234
	Sio .0083 .1640 .2213 .105 .004253 .001205 .003311 .000376 .001813 .000234
	Si1m .0075 .8097 .2158 .986 .003139 .000891 .004122 .000347 .002106 .000367
	B1m .0075 .8097 .2158 .014 .003139 .000891 .004122 .000347 .002106 .000367
	Si2o .7021 .1030 .3199 .865 .002987 .000660 .003379 .000058 .001345 .000100
	B2o .7021 .1030 .3199 .135 .002987 .000660 .003379 .000058 .001345 .000100
	Si2m .6862 .8674 .3546 .944 .002937 .001189 .003311 .000607 .001872 .000568
	B2m .6862 .8674 .3546 .046 .002937 .001189 .003311 .000607 .001872 .000568
	Oa1 .0061 .1370 .9990 .008203 .001799 .006014 .000636 .004446 .000568
	Oa2 .5961 .9839 .2765 .004507 .001304 .006825 .000318 .002281 .000701
	Obo .8392 .1022 .2092 .008203 .001915 .009731 -.000983 .005206 -.000668
	Obm .8177 .8363 .2365 .005772 .002278 .009191 .000983 .004446 .000601
	Oco .0098 .2807 .2749 .005823 .001964 .008312 .000520 .003978 .000635
	Ocm .0298 .6801 .2110 .006178 .001354 .007231 .000578 .002106 .000301
	Odo .1901 .1174 .3834 .006228 .001997 .005677 .000983 .002164 .000234
	Odm .1917 .8680 .4209 .006178 .001865 .006555 -.000116 .001813 .000000
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	Reedmergnerite-high
	Fleet M E
	American Mineralogist 77 (1992) 76-84
	Tetrahedral-site occupancies in reedmergnerite and synthetic boron albite
	(NaBSi3O8)
	sample high boron albite Gb87
	_database_code_amcsd 0001441
	7.910 12.336 6.820 93.54 116.13 90.60 C-1
	atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Na .2823 .0075 .1356 .010826 .017710 .041101 .001002 .003578 -.018904
	B1o .0093 .1681 .2203 .289 .004767 .001239 .003956 .000086 .001846 .000166
	Si1o .0093 .1681 .2203 .711 .004767 .001239 .003956 .000086 .001846 .000166
	B1m .0093 .8100 .2305 .058 .004370 .001239 .005632 .000401 .002077 .000632
	Si1m .0093 .8100 .2305 .942 .004370 .001239 .005632 .000401 .002077 .000632
	B2o .6995 .1056 .3219 .384 .003824 .001223 .004760 -.000029 .001039 -.000067
	Si2o .6995 .1056 .3219 .616 .003824 .001223 .004760 -.000029 .001039 -.000067
	B2m .6910 .8758 .3556 .269 .003129 .001569 .004693 .000659 .001789 .000632
	Si2m .6910 .8758 .3556 .731 .003129 .001569 .004693 .000659 .001789 .000632
	Oa1 .0048 .1390 .9876 .010776 .002098 .007778 .000286 .004905 .000366
	Oa2 .6050 .9890 .2783 .005016 .001999 .008381 .000315 .001962 .000699
	Obo .8264 .1108 .2042 .009386 .002709 .012203 -.001461 .005193 -.000699
	Obm .8197 .8392 .2452 .006853 .002990 .014013 .000945 .005078 .000266
	Oco .0189 .2922 .2810 .006307 .002561 .010661 .000716 .004212 .000865
	Ocm .0294 .6810 .2215 .006555 .001735 .009655 .000458 .001731 .000033
	Odo .1921 .1134 .3866 .007548 .002313 .007845 .000716 .002424 .000499
	Odm .1895 .8681 .4281 .007499 .002181 .009722 -.000200 .002135 -.000033
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Fluorapatite
	Fleet M E, Pan Y
	American Mineralogist 80 (1995) 329-335
	Site preference of rare earth elements in fluorapatite
	Sample: La-FAp
	_database_code_amcsd 0001723
	9.4123 9.4123 6.9080 90 90 120 P6_3/m
	atom x y z occ Biso
	Ca1 2/3 1/3 .0006 .888 .88
	Na1 2/3 1/3 .0006 .089 .88
	La1 2/3 1/3 .0006 .023 .88
	Ca2 .98989 .24018 .25 .907 .804
	La2 .98989 .24018 .25 .093 .804
	P .36898 .39808 .25 .952 .538
	Si .36898 .39808 .25 .048 .538
	O1 .4847 .3268 .25 1.01
	O2 .4663 .5872 .25 1.19
	O3 .2568 .3406 .0716 1.40
	F 0 0 .25 3.05
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	Fluorapatite
	Fleet M E, Pan Y
	American Mineralogist 80 (1995) 329-335
	Site preference of rare earth elements in fluorapatite
	Sample: Nd-FAp
	_database_code_amcsd 0001724
	9.3979 9.3979 6.8997 90 90 120 P6_3/m
	atom x y z occ Biso
	Ca1 2/3 1/3 .0000 .901 .89
	Na1 2/3 1/3 .0000 .061 .89
	Nd1 2/3 1/3 .0000 .038 .89
	Ca2 .99024 .24085 .25 .843 .75
	Na2 .99024 .24085 .25 .045 .75
	Nd2 .99024 .24085 .25 .111 .75
	P .3687 .3975 .25 .947 .52
	Si .3687 .3975 .25 .053 .52
	O1 .4830 .3253 .25 .96
	O2 .4661 .5859 .25 1.23
	O3 .2561 .3406 .0714 1.40
	F 0 0 .25 2.94
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	Fluorapatite
	Fleet M E, Pan Y
	American Mineralogist 80 (1995) 329-335
	Site preference of rare earth elements in fluorapatite
	Sample: Gd-FAp
	_database_code_amcsd 0001725
	9.3853 9.3853 6.8876 90 90 120 P6_3/m
	atom x y z occ Biso
	Ca1 2/3 1/3 .00033 .886 .80
	Na1 2/3 1/3 .00033 .076 .80
	Gd1 2/3 1/3 .00033 .038 .80
	Ca2 .99174 .24226 .25 .916 .643
	Na2 .99174 .24226 .25 .007 .643
	Gd2 .99174 .24226 .25 .077 .643
	P .36842 .39729 .25 .953 .465
	Si .36842 .39729 .25 .047 .465
	O1 .4836 .3251 .25 .93
	O2 .4670 .5873 .25 1.08
	O3 .2560 .3406 .0707 1.30
	F 0 0 .25 2.46
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	Fluorapatite
	Fleet M E, Pan Y
	American Mineralogist 80 (1995) 329-335
	Site preference of rare earth elements in fluorapatite
	Sample: Dy-FAp
	_database_code_amcsd 0001726
	9.3784 9.3784 6.8832 90 90 120 P6_3/m
	atom x y z occ Biso
	Ca1 2/3 1/3 .00049 .882 .79
	Na1 2/3 1/3 .00049 .079 .79
	Dy1 2/3 1/3 .00049 .039 .79
	Ca2 .99242 .24285 .25 .94 .614
	Dy2 .99242 .24285 .25 .06 .614
	P .36839 .39744 .25 .958 .434
	Si .36839 .39744 .25 .04 .434
	O1 .4838 .3252 .25 .88
	O2 .4669 .5874 .25 1.01
	O3 .2561 .3408 .0711 1.15
	F 0 0 .25 2.28
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	Apatite-(CaF)
	Fleet M E, Pan Y
	American Mineralogist 80 (1995) 329-335
	Site preference of rare earth elements in fluorapatite
	Sample: La-FAp
	_database_code_amcsd 0001727
	9.4123 9.4123 6.9080 90 90 120 P6_3/m
	atom x y z occ Biso
	Ca1 2/3 1/3 .0006 .888 .88
	Na1 2/3 1/3 .0006 .089 .88
	La1 2/3 1/3 .0006 .023 .88
	Ca2 .98989 .24018 .25 .907 .804
	La2 .98989 .24018 .25 .093 .804
	P .36898 .39808 .25 .952 .538
	Si .36898 .39808 .25 .048 .538
	O1 .4847 .3268 .25 1.01
	O2 .4663 .5872 .25 1.19
	O3 .2568 .3406 .0716 1.40
	F 0 0 .25 3.05
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	Apatite-(CaF)
	Fleet M E, Pan Y
	American Mineralogist 80 (1995) 329-335
	Site preference of rare earth elements in fluorapatite
	Sample: Nd-FAp
	_database_code_amcsd 0001728
	9.3979 9.3979 6.8997 90 90 120 P6_3/m
	atom x y z occ Biso
	Ca1 2/3 1/3 .0000 .901 .89
	Na1 2/3 1/3 .0000 .061 .89
	Nd1 2/3 1/3 .0000 .038 .89
	Ca2 .99024 .24085 .25 .843 .75
	Na2 .99024 .24085 .25 .045 .75
	Nd2 .99024 .24085 .25 .111 .75
	P .3687 .3975 .25 .947 .52
	Si .3687 .3975 .25 .053 .52
	O1 .4830 .3253 .25 .96
	O2 .4661 .5859 .25 1.23
	O3 .2561 .3406 .0714 1.40
	F 0 0 .25 2.94
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	Apatite-(CaF)
	Fleet M E, Pan Y
	American Mineralogist 80 (1995) 329-335
	Site preference of rare earth elements in fluorapatite
	Sample: Gd-FAp
	_database_code_amcsd 0001729
	9.3853 9.3853 6.8876 90 90 120 P6_3/m
	atom x y z occ Biso
	Ca1 2/3 1/3 .00033 .886 .80
	Na1 2/3 1/3 .00033 .076 .80
	Gd1 2/3 1/3 .00033 .038 .80
	Ca2 .99174 .24226 .25 .916 .643
	Na2 .99174 .24226 .25 .007 .643
	Gd2 .99174 .24226 .25 .077 .643
	P .36842 .39729 .25 .953 .465
	Si .36842 .39729 .25 .047 .465
	O1 .4836 .3251 .25 .93
	O2 .4670 .5873 .25 1.08
	O3 .2560 .3406 .0707 1.30
	F 0 0 .25 2.46
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	Apatite-(CaF)
	Fleet M E, Pan Y
	American Mineralogist 80 (1995) 329-335
	Site preference of rare earth elements in fluorapatite
	Sample: Dy-FAp
	_database_code_amcsd 0001730
	9.3784 9.3784 6.8832 90 90 120 P6_3/m
	atom x y z occ Biso
	Ca1 2/3 1/3 .00049 .882 .79
	Na1 2/3 1/3 .00049 .079 .79
	Dy1 2/3 1/3 .00049 .039 .79
	Ca2 .99242 .24285 .25 .94 .614
	Dy2 .99242 .24285 .25 .06 .614
	P .36839 .39744 .25 .958 .434
	Si .36839 .39744 .25 .04 .434
	O1 .4838 .3252 .25 .88
	O2 .4669 .5874 .25 1.01
	O3 .2561 .3408 .0711 1.15
	F 0 0 .25 2.28
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	Na6Si3[Si9O27]
	Fleet M E
	American Mineralogist 81 (1996) 1105-1110
	Sodium tetrasilicate: A complex high-pressure framework silicate (Na6Si3[Si9O27])
	_database_code_amcsd 0001833
	10.875 9.326 19.224 90 90.18 90 P2_1/n
	atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Na1 .9383 .0513 .2955 .003403 .003306 .001360 .000592 -.000048 .000167
	Na2 .9274 .4768 .2722 .003509 .003938 .001333 -.001849 .000670 -.000502
	Na3 .4367 .0447 .3863 .002283 .004369 .001691 .000764 -.000825 -.001408
	Na4 .3948 .0263 .0773 .004186 .003852 .000609 -.001257 -.000323 .000139
	Na5 .4833 .4635 .3842 .004524 .003880 .001245 -.000197 -.000442 .000837
	Na6 .3304 .4582 .0726 .003509 .004484 .000886 .001282 -.000155 -.000293
	Si1 .71897 .00508 .41306 .001374 .001150 .000365 -.000025 -.000227 -.000028
	Si2 .27224 .00272 .24171 .001268 .000862 .000406 .000099 -.000012 -.000028
	Si3 .78255 .49927 .42084 .001163 .001092 .000413 .000025 -.000048 .000056
	Si4 .94002 .22798 .45674 .000592 .001868 .000149 -.000123 .000036 .000028
	Si5 .56746 .27450 .10670 .000676 .001840 .000176 -.000123 .000036 .000000
	Si6 .44151 .27507 .24580 .000803 .001782 .000210 .000074 .000024 .000000
	Si7 .71925 .26456 .30325 .000698 .001696 .000189 .000123 .000120 -.000028
	Si8 .87596 .24314 .16051 .000803 .001437 .000156 -.000049 .000096 .000028
	Si9 .15079 .24210 .15532 .000782 .001380 .000244 -.000025 -.000048 -.000014
	Si10 .59627 .26068 .49017 .000761 .001495 .000189 .000000 -.000060 -.000014
	Si11 .30679 .26137 .48260 .000655 .001840 .000210 .000049 .000000 .000042
	Si12 .16298 .24081 .34665 .000930 .001897 .000169 .000000 -.000012 -.000028
	O1 .9020 .3930 .4583 .002325 .001782 .000345 .000320 -.000239 -.000014
	O2 .5008 .3087 .0327 .002621 .003852 .000162 .000271 -.000239 -.000126
	O3 .8965 .3967 .1260 .001945 .001236 .000819 .000345 -.000144 .000307
	O4 .4568 .3128 .1629 .000867 .003076 .000433 .000099 .000323 .000139
	O5 .2835 .2417 .3980 .001987 .005231 .000223 .000345 .000036 -.000056
	O6 .7808 .3919 .3456 .002431 .002098 .000548 -.000592 .000227 -.000265
	O7 .4507 .3097 .4876 .000275 .003133 .000636 .000000 .000251 -.000014
	O8 .1906 .3964 .1832 .002558 .001265 .000507 -.000173 -.000287 -.000265
	O9 .3548 .3930 .2791 .001163 .002386 .000386 .000542 -.000036 .000014
	O10 .0156 .1915 .1837 .001015 .004714 .000365 .000000 -.000299 .000418
	O11 .8065 .2535 .2348 .002769 .005605 .000284 .000468 .000155 .000014
	O12 .6702 .3900 .1240 .001839 .002501 .000433 -.000715 -.000155 .000139
	O13 .0436 .1941 .3958 .001374 .003133 .000487 -.000148 .000335 -.000042
	O14 .7244 .1074 .3339 .002811 .002213 .000487 .000197 -.000108 .000195
	O15 .8331 .1144 .4511 .001142 .002070 .000676 -.000518 -.000155 -.000042
	O16 .1309 .3934 .3130 .001628 .000920 .000764 -.000197 .000155 .000223
	O17 .6649 .3938 .4575 .001797 .002127 .000859 -.000173 .000048 .000363
	O18 .5777 .3093 .2813 .001480 .003737 .000575 -.000173 .000048 .000363
	O19 .2148 .3876 .5045 .002008 .002156 .000595 .000740 -.000084 -.000460
	O20 .1756 .1106 .2943 .001881 .001753 .000676 .000123 .000215 -.000195
	O21 .2430 .1108 .1673 .001649 .002213 .000379 .000000 .000132 .000279
	O22 .4068 .1116 .2616 .001712 .001236 .000453 .000049 -.000239 -.000084
	O23 .1415 .2678 .0707 .002494 .004513 .000277 .000444 -.000060 -.000153
	O24 .8309 .1132 .1152 .001247 .002472 .000947 -.000296 -.000024 -.000600
	O25 .5983 .1088 .1183 .001543 .002127 .000419 .000296 .000060 -.000153
	O26 .2835 .1017 .5101 .001924 .001753 .000656 -.000099 -.000096 .000209
	O27 .6020 .1154 .4471 .001966 .001897 .000595 .000123 -.000179 -.000390
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	Fluorapatite
	Fleet M E, Pan Y
	American Mineralogist 82 (1997) 870-877
	Site preference of rare earth elements in fluorapatite: Binary (LREE+HREE)-
	substituted crystals
	Sample: La,Gd-FAp
	_database_code_amcsd 0001934
	9.3940 9.3940 6.8967 90 90 120 P6_3/m
	atom x y z Biso
	Ca1 2/3 1/3 .00040 .81
	Ca2 .99093 .24106 .25 .703
	P .36875 .39774 .25 .475
	O1 .4838 .3256 .25 .93
	O2 .4667 .5869 .25 1.11
	O3 .2561 .3405 .0715 1.31
	F 0 0 .25 2.46
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	Fluorapatite
	Fleet M E, Pan Y
	American Mineralogist 82 (1997) 870-877
	Site preference of rare earth elements in fluorapatite: Binary (LREE+HREE)-
	substituted crystals
	Sample: Ce,Dy-FAp
	_database_code_amcsd 0001935
	9.3874 9.3874 6.8920 90 90 120 P6_3/m
	atom x y z Biso
	Ca1 2/3 1/3 .0007 .81
	Ca2 .99103 .24124 .25 .675
	P .36863 .39783 .25 .480
	O1 .4845 .3257 .25 .94
	O2 .4665 .5865 .25 1.08
	O3 .2563 .3408 .0713 1.30
	F 0 0 .25 2.32
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	Fluorapatite
	Fleet M E, Pan Y
	American Mineralogist 82 (1997) 870-877
	Site preference of rare earth elements in fluorapatite: Binary (LREE+HREE)-
	substituted crystals
	Sample: Pr,Er-FAp
	_database_code_amcsd 0001936
	9.3845 9.3845 6.8901 90 90 120 P6_3/m
	atom x y z Biso
	Ca1 2/3 1/3 .00067 .81
	Ca2 .99179 .24187 .25 .666
	P .36854 .39757 .25 .485
	O1 .4839 .3258 .25 .93
	O2 .4670 .5876 .25 1.09
	O3 .2564 .3406 .0710 1.25
	F 0 0 .25 2.26
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	Fluorapatite
	Fleet M E, Pan Y
	American Mineralogist 82 (1997) 870-877
	Site preference of rare earth elements in fluorapatite: Binary (LREE+HREE)-
	substituted crystals
	Sample: Eu,Lu-FAp
	_database_code_amcsd 0001937
	9.3812 9.3812 6.8867 90 90 120 P6_3/m
	atom x y z Biso
	Ca1 2/3 1/3 .0007 .80
	Ca2 .99206 .24255 .25 .630
	P .36854 .39764 .25 .492
	O1 .4843 .3258 .25 .95
	O2 .4665 .5870 .25 1.17
	O3 .2566 .3414 .0706 1.16
	F 0 0 .25 2.57
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	Apatite-(CaF)
	Fleet M E, Pan Y
	American Mineralogist 82 (1997) 870-877
	Site preference of rare earth elements in fluorapatite: Binary (LREE+HREE)-
	substituted crystals
	Sample: La,Gd-FAp
	_database_code_amcsd 0001938
	9.3940 9.3940 6.8967 90 90 120 P6_3/m
	atom x y z Biso
	Ca1 2/3 1/3 .00040 .81
	Ca2 .99093 .24106 .25 .703
	P .36875 .39774 .25 .475
	O1 .4838 .3256 .25 .93
	O2 .4667 .5869 .25 1.11
	O3 .2561 .3405 .0715 1.31
	F 0 0 .25 2.46
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Apatite-(CaF)
	Fleet M E, Pan Y
	American Mineralogist 82 (1997) 870-877
	Site preference of rare earth elements in fluorapatite: Binary (LREE+HREE)-
	substituted crystals
	Sample: Ce,Dy-FAp
	_database_code_amcsd 0001939
	9.3874 9.3874 6.8920 90 90 120 P6_3/m
	atom x y z Biso
	Ca1 2/3 1/3 .0007 .81
	Ca2 .99103 .24124 .25 .675
	P .36863 .39783 .25 .480
	O1 .4845 .3257 .25 .94
	O2 .4665 .5865 .25 1.08
	O3 .2563 .3408 .0713 1.30
	F 0 0 .25 2.32
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	Apatite-(CaF)
	Fleet M E, Pan Y
	American Mineralogist 82 (1997) 870-877
	Site preference of rare earth elements in fluorapatite: Binary (LREE+HREE)-
	substituted crystals
	Sample: Pr,Er-FAp
	_database_code_amcsd 0001940
	9.3845 9.3845 6.8901 90 90 120 P6_3/m
	atom x y z Biso
	Ca1 2/3 1/3 .00067 .81
	Ca2 .99179 .24187 .25 .666
	P .36854 .39757 .25 .485
	O1 .4839 .3258 .25 .93
	O2 .4670 .5876 .25 1.09
	O3 .2564 .3406 .0710 1.25
	F 0 0 .25 2.26
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Apatite-(CaF)
	Fleet M E, Pan Y
	American Mineralogist 82 (1997) 870-877
	Site preference of rare earth elements in fluorapatite: Binary (LREE+HREE)-
	substituted crystals
	Sample: Eu,Lu-FAp
	_database_code_amcsd 0001941
	9.3812 9.3812 6.8867 90 90 120 P6_3/m
	atom x y z Biso
	Ca1 2/3 1/3 .0007 .80
	Ca2 .99206 .24255 .25 .630
	P .36854 .39764 .25 .492
	O1 .4843 .3258 .25 .95
	O2 .4665 .5870 .25 1.17
	O3 .2566 .3414 .0706 1.16
	F 0 0 .25 2.57
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	Na8Si[Si6O18]
	Fleet M E
	American Mineralogist 83 (1998) 618-624
	Sodium heptasilicate: A high-pressure silicate with six-membered rings of
	tetrahedra interconnected by SiO6 octahedra: (Na8Si[Si6O18])
	_database_code_amcsd 0002009
	7.180 7.180 7.180 87.26 87.26 87.26 R-3
	atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Na1 .2363 .2363 .2363 .006186 .006186 .006186 0 0 0
	Na2 0 .5 .5 .008767 .006770 .007696 -.000974 -.001218 .000828
	Na3 .5 0 0 .005406 .005650 .010764 .000292 -.000731 -.000487
	Si1 0 0 0 .004384 .004384 .004384 0 0 0
	Si2 .2719 .7396 .2715 .004627 .005066 .004968 -.000244 -.000097 -.000195
	O1 .2129 .5451 .2128 .008865 .006624 .008134 -.000779 -.002630 -.000536
	O2 .1690 .9181 .1692 .006624 .006478 .005212 .000049 -.001072 .000244
	O3 .2346 .7653 .4995 .008378 .007939 .005260 .000974 .000292 -.000195
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	Chlorapatite
	Fleet M E, Liu X, Pan Y
	American Mineralogist 85 (2000) 1437-1446
	Rare-earth elements in chlorapatite [Ca10(PO4)6(Cl)2]:
	Uptake, site preference, and degradation of monoclinic structure
	Sample: La-ClAp
	_database_code_amcsd 0002516
	9.6499 9.6499 6.7725 90 90 120 P6_3/m
	atom x y z occ Biso
	Ca1 2/3 1/3 .00347 .963 1.26
	Na1 2/3 1/3 .00347 .025 1.26
	La1 2/3 1/3 .00347 .0126 1.26
	Ca2 .00393 .25895 .25 .991 1.17
	La2 .00393 .25895 .25 .0089 1.17
	P .37530 .40780 .25 .97
	O1 .4917 .3437 .25 1.37
	O2 .4659 .5926 .25 1.41
	O3 .2673 .3536 .0677 1.80
	Cl 0 0 .4448 1.73
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	Chlorapatite
	Fleet M E, Liu X, Pan Y
	American Mineralogist 85 (2000) 1437-1446
	Rare-earth elements in chlorapatite [Ca10(PO4)6(Cl)2]:
	Uptake, site preference, and degradation of monoclinic structure
	Sample: Nd-ClAp
	_database_code_amcsd 0002517
	9.6474 9.6474 6.7747 90 90 120 P6_3/m
	atom x y z occ Biso
	Ca1 2/3 1/3 .0028 .983 1.13
	Nd1 2/3 1/3 .0028 .0172 1.13
	Ca2 .00310 .25786 .25 .952 1.21
	Na2 .00310 .25786 .25 .029 1.21
	Nd2 .00310 .25786 .25 .0191 1.21
	P .37501 .4074 .25 1.06
	O1 .4916 .3429 .25 1.51
	O2 .4659 .5933 .25 1.52
	O3 .2667 .3529 .0678 1.97
	Cl 0 0 .4480 2.23
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	Chlorapatite
	Fleet M E, Liu X, Pan Y
	American Mineralogist 85 (2000) 1437-1446
	Rare-earth elements in chlorapatite [Ca10(PO4)6(Cl)2]:
	Uptake, site preference, and degradation of monoclinic structure
	Sample: Dy-ClAp
	_database_code_amcsd 0002518
	9.6487 9.6487 6.7652 90 90 120 P6_3/m
	atom x y z occ Biso
	Ca1 2/3 1/3 .00299 .933 1.20
	Na1 2/3 1/3 .00299 .036 1.20
	Dy1 2/3 1/3 .00299 .0306 1.20
	Ca2 .00475 .25894 .25 .997 1.15
	Dy2 .00475 .25894 .25 .0026 1.15
	P .37565 .40844 .25 .97
	O1 .4923 .3442 .25 1.40
	O2 .4660 .5930 .25 1.39
	O3 .2673 .3539 .0675 1.76
	Cl 0 0 .4495 1.90
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Chlorapatite
	Fleet M E, Liu X, Pan Y
	American Mineralogist 85 (2000) 1437-1446
	Rare-earth elements in chlorapatite [Ca10(PO4)6(Cl)2]:
	Uptake, site preference, and degradation of monoclinic structure
	Sample: La-ClAp
	_database_code_amcsd 0002519
	9.6501 19.3002 6.7724 90 90 120. P2_1/b
	atom x y z occ Biso
	Ca1 .3227 .58037 .0037 .963 .42
	Na1 .3227 .58037 .0037 .025 .42
	La1 .3227 .58037 .0037 .0126 .42
	Ca1p .3449 .5865 .4968 .963 1.68
	Na1p .3449 .5865 .4968 .025 1.68
	La1p .3449 .5865 .4968 .0126 1.68
	Ca2a .25884 .25185 .2484 .991 1.11
	La2a .25884 .25185 .2484 .0089 1.11
	Ca2b .00426 .62268 .7481 .991 1.23
	La2b .00426 .62268 .7481 .0089 1.23
	Ca2c .25546 .37953 .7501 .991 1.159
	La2c .25546 .37953 .7501 .0089 1.159
	P(a) .40750 .43754 .2555 .94
	P(b) .62463 .26654 .2531 .97
	P(c) .03239 .45376 .7535 .98
	O1a .3436 .49575 .248 1.37
	O1b .4920 .32379 .756 1.33
	O1c .1481 .57837 .257 1.40
	O2a .5921 .48276 .2354 1.17
	O2b .5341 .31366 .241 1.18
	O2c .1268 .54621 .7332 1.15
	O3a .3363 .3796 .0796 1.25
	O3b .7399 .2901 .0755 1.36
	O3c .0792 .4180 .5784 1.36
	O3ap .3696 .3876 .4442 1.06
	O3bp .7260 .2968 .4407 .98
	O3cp .0925 .4350 .9429 .99
	Cl .0017 .24930 .4451 1.58
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	Apatite-(CaCl)
	Fleet M E, Liu X, Pan Y
	American Mineralogist 85 (2000) 1437-1446
	Rare-earth elements in chlorapatite [Ca10(PO4)6(Cl)2]:
	Uptake, site preference, and degradation of monoclinic structure
	Sample: La-ClAp
	_database_code_amcsd 0002520
	9.6499 9.6499 6.7725 90 90 120 P6_3/m
	atom x y z occ Biso
	Ca1 2/3 1/3 .00347 .963 1.26
	Na1 2/3 1/3 .00347 .025 1.26
	La1 2/3 1/3 .00347 .0126 1.26
	Ca2 .00393 .25895 .25 .991 1.17
	La2 .00393 .25895 .25 .0089 1.17
	P .37530 .40780 .25 .97
	O1 .4917 .3437 .25 1.37
	O2 .4659 .5926 .25 1.41
	O3 .2673 .3536 .0677 1.80
	Cl 0 0 .4448 1.73
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Apatite-(CaCl)
	Fleet M E, Liu X, Pan Y
	American Mineralogist 85 (2000) 1437-1446
	Rare-earth elements in chlorapatite [Ca10(PO4)6(Cl)2]:
	Uptake, site preference, and degradation of monoclinic structure
	Sample: Nd-ClAp
	_database_code_amcsd 0002521
	9.6474 9.6474 6.7747 90 90 120 P6_3/m
	atom x y z occ Biso
	Ca1 2/3 1/3 .0028 .983 1.13
	Nd1 2/3 1/3 .0028 .0172 1.13
	Ca2 .00310 .25786 .25 .952 1.21
	Na2 .00310 .25786 .25 .029 1.21
	Nd2 .00310 .25786 .25 .0191 1.21
	P .37501 .4074 .25 1.06
	O1 .4916 .3429 .25 1.51
	O2 .4659 .5933 .25 1.52
	O3 .2667 .3529 .0678 1.97
	Cl 0 0 .4480 2.23
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Apatite-(CaCl)
	Fleet M E, Liu X, Pan Y
	American Mineralogist 85 (2000) 1437-1446
	Rare-earth elements in chlorapatite [Ca10(PO4)6(Cl)2]:
	Uptake, site preference, and degradation of monoclinic structure
	Sample: Dy-ClAp
	_database_code_amcsd 0002522
	9.6487 9.6487 6.7652 90 90 120 P6_3/m
	atom x y z occ Biso
	Ca1 2/3 1/3 .00299 .933 1.20
	Na1 2/3 1/3 .00299 .036 1.20
	Dy1 2/3 1/3 .00299 .0306 1.20
	Ca2 .00475 .25894 .25 .997 1.15
	Dy2 .00475 .25894 .25 .0026 1.15
	P .37565 .40844 .25 .97
	O1 .4923 .3442 .25 1.40
	O2 .4660 .5930 .25 1.39
	O3 .2673 .3539 .0675 1.76
	Cl 0 0 .4495 1.90
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Apatite-(CaCl)
	Fleet M E, Liu X, Pan Y
	American Mineralogist 85 (2000) 1437-1446
	Rare-earth elements in chlorapatite [Ca10(PO4)6(Cl)2]:
	Uptake, site preference, and degradation of monoclinic structure
	Sample: La-ClAp
	_database_code_amcsd 0002523
	9.6501 19.3002 6.7724 90 90 120. P2_1/b
	atom x y z occ Biso
	Ca1 .3227 .58037 .0037 .963 .42
	Na1 .3227 .58037 .0037 .025 .42
	La1 .3227 .58037 .0037 .0126 .42
	Ca1p .3449 .5865 .4968 .963 1.68
	Na1p .3449 .5865 .4968 .025 1.68
	La1p .3449 .5865 .4968 .0126 1.68
	Ca2a .25884 .25185 .2484 .991 1.11
	La2a .25884 .25185 .2484 .0089 1.11
	Ca2b .00426 .62268 .7481 .991 1.23
	La2b .00426 .62268 .7481 .0089 1.23
	Ca2c .25546 .37953 .7501 .991 1.159
	La2c .25546 .37953 .7501 .0089 1.159
	P(a) .40750 .43754 .2555 .94
	P(b) .62463 .26654 .2531 .97
	P(c) .03239 .45376 .7535 .98
	O1a .3436 .49575 .248 1.37
	O1b .4920 .32379 .756 1.33
	O1c .1481 .57837 .257 1.40
	O2a .5921 .48276 .2354 1.17
	O2b .5341 .31366 .241 1.18
	O2c .1268 .54621 .7332 1.15
	O3a .3363 .3796 .0796 1.25
	O3b .7399 .2901 .0755 1.36
	O3c .0792 .4180 .5784 1.36
	O3ap .3696 .3876 .4442 1.06
	O3bp .7260 .2968 .4407 .98
	O3cp .0925 .4350 .9429 .99
	Cl .0017 .24930 .4451 1.58
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	Dy2Si2O7
	Fleet M E, Liu X
	American Mineralogist 89 (2004) 396-404
	A new rare earth disilicate (REE2Si2O7: REE = Dy, Tm, Lu; type-L):
	Evidence for nonquenchable 10 GPa polymorph with silicon
	in fivefold trigonal bipyramidal coordination?
	_database_code_amcsd 0003422
	6.5971 6.6504 18.0582 83.791 88.653 88.498 P-1
	atom x y z occ Uiso
	Dy1 .54669 .03160 .25884 .0077
	Dy2 .81887 .52945 .26374 .0082
	Dy3 .61495 .34691 .09507 .0067
	Dy4 .12017 .65444 .08928 .0098
	Dy5 .42509 .62047 .41389 .0152
	Dy6 .13288 .11258 .39816 .0187
	Si1 .6517 .1347 .4189 .0066
	Si2 .6358 .8230 .0801 .0051
	Si3 .1232 .1843 .0626 .0069
	Si4 .3383 .5108 .2579 .0060
	Si5 .0052 .0437 .2138 .0059
	Si6A .9552 .6024 .4469 .5 .012
	Si6B .8999 .7340 .4436 .5 .009
	O1 .2180 .0811 .9909 .012
	O2 .4558 .6962 .0475 .009
	O3 .9214 .3094 .0356 .012
	O4 .2727 .3464 .0864 .008
	O5 .7757 .6452 .1244 .011
	O6 .5655 .0042 .1264 .010
	O7 .0864 .9937 .1264 .006
	O8 .8685 .2497 .1938 .011
	O9 .1447 .5875 .2103 .010
	O10 .5023 .3721 .2159 .008
	O11 .8518 .8701 .2472 .008
	O12 .1965 .0624 .2655 .011
	O13 .4865 .6897 .2808 .008
	O14 .7799 .2223 .3451 .013
	O15 .2632 .4022 .3383 .019
	O16 .7705 .6148 .3867 .027
	O17 .4709 .9977 .3871 .010
	O18 .1182 .7716 .4118 .021
	O19 .8152 .9907 .4673 .026
	O20 .5489 .3046 .4668 .012
	O21 .1184 .3755 .4726 .031
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	Tm2Si2O7
	Fleet M E, Liu X
	American Mineralogist 89 (2004) 396-404
	A new rare earth disilicate (REE2Si2O7: REE = Dy, Tm, Lu; type-L):
	Evidence for nonquenchable 10 GPa polymorph with silicon
	in fivefold trigonal bipyramidal coordination?
	_database_code_amcsd 0003423
	6.5499 6.5876 17.8916 83.828 88.368 88.152 P-1
	atom x y z occ Uiso
	Tm1 .54372 .03118 .25872 .980 .0063
	Tm2 .81604 .53057 .26274 .991 .0071
	Tm3 .61586 .34733 .09585 .985 .0059
	Tm4 .12118 .65008 .09028 .971 .0072
	Tm5 .42926 .62039 .41346 .984 .0134
	Tm6 .13580 .11216 .39754 .991 .0181
	Si1 .6548 .1374 .4190 .0057
	Si2 .6343 .8231 .0813 .0055
	Si3 .1231 .1822 .0621 .0063
	Si4 .3375 .5103 .2587 .0051
	Si5 .0042 .0423 .2145 .0049
	Si6A .9570 .6017 .4456 .5 .006
	Si6B .9040 .7332 .4440 .5 .005
	O1 .2214 .0779 .9890 .010
	O2 .4554 .6923 .0505 .012
	O3 .9170 .3108 .0354 .010
	O4 .2724 .3463 .0865 .008
	O5 .7781 .6458 .1245 .007
	O6 .5651 .0093 .1268 .009
	O7 .0873 .9875 .1270 .006
	O8 .8698 .2519 .1923 .009
	O9 .1419 .5880 .2108 .009
	O10 .5044 .3721 .2149 .006
	O11 .8486 .8711 .2495 .005
	O12 .1963 .0605 .2658 .007
	O13 .4851 .6949 .2802 .013
	O14 .7893 .2254 .3442 .017
	O15 .2745 .3989 .3412 .009
	O16 .7721 .6162 .3857 .019
	O17 .4763 .9992 .3867 .005
	O18 .1251 .7757 .4095 .013
	O19 .8166 .9895 .4674 .024
	O20 .5524 .3075 .4678 .007
	O21 .1139 .3725 .4709 .025
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	Lu2Si2O7
	Fleet M E, Liu X
	American Mineralogist 89 (2004) 396-404
	A new rare earth disilicate (REE2Si2O7: REE = Dy, Tm, Lu; type-L):
	Evidence for nonquenchable 10 GPa polymorph with silicon
	in fivefold trigonal bipyramidal coordination?
	_database_code_amcsd 0003424
	6.5240 6.5553 17.7909 83.977 88.074 87.846 P-1
	atom x y z occ Uiso
	Lu1 .54296 .03148 .25839 .961 .0097
	Lu2 .81377 .53185 .26105 .972 .0093
	Lu3 .61557 .34637 .09551 .967 .0089
	Lu4 .12070 .64583 .09097 .906 .0095
	Lu5 .43223 .62021 .41313 .970 .0158
	Lu6 .13704 .11235 .39622 .969 .0206
	Si1 .6551 .1397 .4184 .0100
	Si2 .6311 .8232 .0819 .0088
	Si3 .1222 .1810 .0614 .0101
	Si4 .3385 .5109 .2592 .0093
	Si5 .0036 .0412 .2134 .0090
	Si6A .9604 .6024 .4446 .5 .009
	Si6B .9079 .7330 .4440 .5 .010
	O1 .2317 .0766 .9895 .012
	O2 .4487 .6900 .0520 .015
	O3 .9193 .3095 .0321 .010
	O4 .2712 .3438 .0876 .008
	O5 .7766 .6421 .1244 .011
	O6 .5620 .0081 .1292 .013
	O7 .0891 .9825 .1257 .008
	O8 .8708 .2519 .1913 .012
	O9 .1372 .5855 .2129 .011
	O10 .5045 .3761 .2147 .008
	O11 .8474 .8725 .2496 .007
	O12 .1951 .0605 .2660 .013
	O13 .4843 .6956 .2796 .013
	O14 .7914 .2252 .3450 .030
	O15 .2785 .3994 .3405 .021
	O16 .7747 .6145 .3856 .023
	O17 .4791 .9994 .3863 .009
	O18 .1318 .7728 .4089 .016
	O19 .8158 .9910 .4675 .022
	O20 .5502 .3159 .4667 .010
	O21 .1095 .3742 .4684 .036
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Apatite-(CaOH)
	Fleet M E, Liu X, King P L
	American Mineralogist 89 (2004) 1422-1432
	Accommodation of the carbonate ion in apatite: An FTIR and X-ray structure study
	of crystals synthesized at 2-4 GPa
	Sample: xt372
	_database_code_amcsd 0003638
	9.4234 9.4234 6.8801 90 90 120 P6_3/m
	atom x y z occ Uiso
	Ca1 2/3 1/3 .0017 .0148
	Ca2 .99304 .24700 .25 .0137
	P .3688 .3988 .25 .976 .0101
	O1 .4845 .3289 .25 .0150
	O2 .4649 .5866 .25 .0200
	O3 .2580 .3432 .0714 .988 .0240
	O4 0 0 .1950 .5 .023
	H 0 0 .053 .72 .023
	OB3 .36 .43 .47 .014 .025
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Apatite-(CaOH)
	Fleet M E, Liu X, King P L
	American Mineralogist 89 (2004) 1422-1432
	Accommodation of the carbonate ion in apatite: An FTIR and X-ray structure study
	of crystals synthesized at 2-4 GPa
	Sample: xt374
	_database_code_amcsd 0003639
	9.4468 9.4468 6.8806 90 90 120 P6_3/m
	atom x y z occ Uiso
	Ca1 2/3 1/3 .0018 .0156
	Ca2 .99268 .24830 .25 .0158
	P .3689 .3993 .25 .0130
	O1 .4845 .3287 .25 .0151
	O2 .4649 .5862 .25 .0234
	O3 .2587 .3435 .0710 .0285
	O4 0 0 .1949 .5 .035
	H 0 0 .53 .65 .035
	C 0 0 0 .01 .025
	OA12 .944 .126 .527 .012 .025
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Hydroxylapatite
	Fleet M E, Liu X, King P L
	American Mineralogist 89 (2004) 1422-1432
	Accommodation of the carbonate ion in apatite: An FTIR and X-ray structure study
	of crystals synthesized at 2-4 GPa
	Sample: xt372
	_database_code_amcsd 0003640
	9.4234 9.4234 6.8801 90 90 120 P6_3/m
	atom x y z occ Uiso
	Ca1 2/3 1/3 .0017 .0148
	Ca2 .99304 .24700 .25 .0137
	P .3688 .3988 .25 .976 .0101
	O1 .4845 .3289 .25 .0150
	O2 .4649 .5866 .25 .0200
	O3 .2580 .3432 .0714 .988 .0240
	O4 0 0 .1950 .5 .023
	H 0 0 .053 .72 .023
	OB3 .36 .43 .47 .014 .025
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Hydroxylapatite
	Fleet M E, Liu X, King P L
	American Mineralogist 89 (2004) 1422-1432
	Accommodation of the carbonate ion in apatite: An FTIR and X-ray structure study
	of crystals synthesized at 2-4 GPa
	Sample: xt374
	_database_code_amcsd 0003641
	9.4468 9.4468 6.8806 90 90 120 P6_3/m
	atom x y z occ Uiso
	Ca1 2/3 1/3 .0018 .0156
	Ca2 .99268 .24830 .25 .0158
	P .3689 .3993 .25 .0130
	O1 .4845 .3287 .25 .0151
	O2 .4649 .5862 .25 .0234
	O3 .2587 .3435 .0710 .0285
	O4 0 0 .1949 .5 .035
	H 0 0 .53 .65 .035
	C 0 0 0 .01 .025
	OA12 .944 .126 .527 .012 .025
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Carbonate-hydroxylapatite
	Fleet M E, Liu X, King P L
	American Mineralogist 89 (2004) 1422-1432
	Accommodation of the carbonate ion in apatite: An FTIR and X-ray structure study
	of crystals synthesized at 2-4 GPa
	Sample: xt371
	_database_code_amcsd 0003642
	9.4803 9.4803 6.8853 90 90 120 P6_3/m
	atom x y z occ Uiso
	Ca1 2/3 1/3 .0021 .0179
	Ca2 .99093 .24944 .25 .0222
	P .3708 .4014 .25 .943 .0160
	O1 .4847 .3313 .25 .0198
	O2 .4657 .5856 .25 .0368
	O3 .2608 .3459 .0723 .971 .0430
	O4 0 0 .25 .36 .025
	C 0 0 0 .26 .025
	OA11 .028 .998 .662 .105 .025
	OA12 .953 .123 .536 .049 .025
	OA2 .911 .015 .461 .062 .025
	OB3 .359 .435 .472 .034 .025
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Carbonate-hydroxylapatite
	Fleet M E, Liu X, King P L
	American Mineralogist 89 (2004) 1422-1432
	Accommodation of the carbonate ion in apatite: An FTIR and X-ray structure study
	of crystals synthesized at 2-4 GPa
	Sample: xt373
	_database_code_amcsd 0003643
	9.4817 9.4817 6.8843 90 90 120 P6_3/m
	atom x y z occ Uiso
	Ca1 2/3 1/3 .00210 .0175
	Ca2 .99095 .24961 .25 .0214
	P .3709 .4014 .25 .941 .0150
	O1 .4847 .3310 .25 .0190
	O2 .4658 .5855 .25 .0356
	O3 .2605 .3460 .0727 .971 .0412
	O4 0 0 .25 .122 .025
	C 0 0 0 .22 .025
	OA11 .023 .000 .661 .098 .025
	OA12 .946 .123 .525 .057 .025
	OA2 .925 .021 .455 .065 .025
	OB3 .348 .421 .477 .041 .025
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Carbonate-hydroxylapatite
	Fleet M E, Liu X, King P L
	American Mineralogist 89 (2004) 1422-1432
	Accommodation of the carbonate ion in apatite: An FTIR and X-ray structure study
	of crystals synthesized at 2-4 GPa
	Sample: xt372
	_database_code_amcsd 0003644
	9.4234 9.4234 6.8801 90 90 120 P6_3/m
	atom x y z occ Uiso
	Ca1 2/3 1/3 .0017 .0148
	Ca2 .99304 .24700 .25 .0137
	P .3688 .3988 .25 .976 .0101
	O1 .4845 .3289 .25 .0150
	O2 .4649 .5866 .25 .0200
	O3 .2580 .3432 .0714 .988 .0240
	O4 0 0 .1950 .5 .023
	H 0 0 .053 .72 .023
	OB3 .36 .43 .47 .014 .025
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Carbonate-hydroxylapatite
	Fleet M E, Liu X, King P L
	American Mineralogist 89 (2004) 1422-1432
	Accommodation of the carbonate ion in apatite: An FTIR and X-ray structure study
	of crystals synthesized at 2-4 GPa
	Sample: xt374
	_database_code_amcsd 0003645
	9.4468 9.4468 6.8806 90 90 120 P6_3/m
	atom x y z occ Uiso
	Ca1 2/3 1/3 .0018 .0156
	Ca2 .99268 .24830 .25 .0158
	P .3689 .3993 .25 .0130
	O1 .4845 .3287 .25 .0151
	O2 .4649 .5862 .25 .0234
	O3 .2587 .3435 .0710 .0285
	O4 0 0 .1949 .5 .035
	H 0 0 .53 .65 .035
	C 0 0 0 .01 .025
	OA12 .944 .126 .527 .012 .025
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Carbonate-hydroxylapatite
	Fleet M E, Liu X, King P L
	American Mineralogist 89 (2004) 1422-1432
	Accommodation of the carbonate ion in apatite: An FTIR and X-ray structure study
	of crystals synthesized at 2-4 GPa
	Sample: xt371
	_database_code_amcsd 0003646
	9.4803 9.4803 6.8853 90 90 120 P6_3/m
	atom x y z occ Uiso
	Ca1 2/3 1/3 .0021 .0179
	Ca2 .99093 .24944 .25 .0222
	P .3708 .4014 .25 .943 .0160
	O1 .4847 .3313 .25 .0198
	O2 .4657 .5856 .25 .0368
	O3 .2608 .3459 .0723 .971 .0430
	O4 0 0 .25 .36 .025
	C 0 0 0 .26 .025
	OA11 .028 .998 .662 .105 .025
	OA12 .953 .123 .536 .049 .025
	OA2 .911 .015 .461 .062 .025
	OB3 .359 .435 .472 .034 .025
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Carbonate-hydroxylapatite
	Fleet M E, Liu X, King P L
	American Mineralogist 89 (2004) 1422-1432
	Accommodation of the carbonate ion in apatite: An FTIR and X-ray structure study
	of crystals synthesized at 2-4 GPa
	Sample: xt373
	_database_code_amcsd 0003647
	9.4817 9.4817 6.8843 90 90 120 P6_3/m
	atom x y z occ Uiso
	Ca1 2/3 1/3 .00210 .0175
	Ca2 .99095 .24961 .25 .0214
	P .3709 .4014 .25 .941 .0150
	O1 .4847 .3310 .25 .0190
	O2 .4658 .5855 .25 .0356
	O3 .2605 .3460 .0727 .971 .0412
	O4 0 0 .25 .122 .025
	C 0 0 0 .22 .025
	OA11 .023 .000 .661 .098 .025
	OA12 .946 .123 .525 .057 .025
	OA2 .925 .021 .455 .065 .025
	OB3 .348 .421 .477 .041 .025
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	Fluorapatite
	Fleet M E, Liu X
	American Mineralogist 93 (2008) 1460-1469
	Accommodation of the carbonate ion in fluorapatite synthesized at high pressure
	Locality: synthetic
	Note: LM130 sample
	_database_code_amcsd 0004637
	9.3648 9.3648 6.8879 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)
	Cal 2/3 1/3 .00095 .0110 .0129 .0129 .0073 .0065 0 0
	Ca2 .99233 .24193 .25 .0094 .0091 .0099 .0091 .0045 0 0
	P .36876 .39797 .25 .961 .0065 .0063 .0071 .0066 .0036 0 0
	C .046 .065 .492 .007 .025 0 0 0 0 0 0
	O1 .4842 .3257 .25 .996 .0135 .0149 .0165 .0145 .0119 0 0
	O2 .4671 .5880 .25 .991 .0157 .0129 .0096 .0239 .0052 0 0
	O3 .2570 .3416 .0714 .0189 .0162 .0295 .0149 .0144 -.0043 -.0078
	O5 .144 .220 .472 .007 .025
	O6 .005 .002 .662 .007 .025
	O7 .990 .972 .343 .007 .025
	O8 .450 .545 .25 .039 .025
	O9 .466 .354 .25 .039 .025
	F 0 0 .25 .921 .0203 .011 .011 .039 .006 0 0
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	Fluorapatite
	Fleet M E, Liu X
	American Mineralogist 93 (2008) 1460-1469
	Accommodation of the carbonate ion in fluorapatite synthesized at high pressure
	Locality: synthetic
	Note: LM136 sample
	_database_code_amcsd 0004638
	9.3679 9.3679 6.8885 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)
	Cal 2/3 1/3 .00111 .0103 .0124 .0124 .0062 .0062 0 0
	Ca2 .99234 .24213 .25 .0087 .0085 .0095 .0078 .0044 0 0
	P .36863 .39790 .25 .965 .0059 .0057 .0064 .0058 .0032 0 0
	O1 .4846 .3264 .25 .995 .0121 .0116 .0163 .013 .0101 0 0
	O2 .4673 .5879 .25 .991 .0143 .0116 .0081 .022 .0042 0 0
	O3 .2571 .3417 .0712 .0176 .0162 .0295 .0124 .0142 -.0050 -.0083
	C .046 .065 .492 .013 .025
	O5 .144 .220 .472 .013 .025
	O6 .005 .002 .662 .013 .025
	O7 .990 .972 .343 .013 .025
	O8 .425 .529 .25 .035 .025
	O9 .434 .323 .25 .035 .025
	F 0 0 .25 .842 .015 .008 .008 .029 .004 0 0
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	Fluorapatite
	Fleet M E, Liu X
	American Mineralogist 93 (2008) 1460-1469
	Accommodation of the carbonate ion in fluorapatite synthesized at high pressure
	Locality: synthetic
	Note: LM142 sample
	_database_code_amcsd 0004639
	9.3659 9.3659 6.8901 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)
	Cal 2/3 1/3 .00101 .0111 .0133 .0133 .0069 .0066 0 0
	Ca2 .99237 .24201 .25 .0095 .0097 .0105 .0082 .0049 0 0
	P .36873 .39794 .25 .961 .0067 .0067 .0071 .0065 .0036 0 0
	O1 .4846 .3262 .25 .992 .0136 .0151 .0171 .014 .0123 0 0
	O2 .4674 .5880 .25 .991 .0154 .0136 .0102 .022 .0057 0 0
	O3 .2569 .3414 .0713 .0191 .0165 .0297 .0144 .0140 -.0042 -.0078
	C .046 .065 .492 .011 .025
	O5 .144 .220 .472 .011 .025
	O6 .005 .002 .662 .011 .025
	O7 .990 .972 .343 .011 .025
	O8 .435 .538 .25 .039 .025
	O9 .456 .334 .25 .039 .025
	F 0 0 .25 .864 .016 .010 .010 .028 .005 0 0
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	Cobaltite
	Fleet M E, Burns P C
	The Canadian Mineralogist 28 (1990) 719-723
	Structure and twinning of cobaltite
	_database_code_amcsd 0005243
	5.5833 5.5892 5.5812 90 90 90 Pca2_1
	atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Co .99504 .25909 0 .298 .167 .251 -.003 .008 .014
	As .61885 .86935 .616687 .426 .288 .346 -.019 -.002 -.026
	S .38266 .63129 .37996 .359 .242 .346 .027 -.039 .060
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	Cuspidine
	Fleet M E, Pan Y
	The Canadian Mineralogist 33 (1995) 879-884
	The structure of NaCa2LuSi2O7F2, a synthetic phase of the cuspidine group
	_database_code_amcsd 0005460
	11.024 10.303 7.391 90 109.40 90 P2_1/a
	atom x y z occ Biso
	Na1 .4247 .1276 .8388 .845 .67
	Ca1 .4247 .1276 .8388 .155 .67
	Ca2 .4262 .1308 .3409 .845 .98
	Na2 .4262 .1308 .3409 .155 .98
	Lu3 .30858 .40160 .52890 .845 .50
	Ca3 .30858 .40160 .52890 .155 .50
	Ca4 .3010 .3957 .0257 .845 1.19
	Lu4 .3010 .3957 .0257 .155 1.19
	Si1 .1276 .1775 .7198 .80
	Si2 .1205 .1769 .1595 .85
	O1 .1373 .1937 .9507 2.66
	O2 .1601 .0289 .6939 1.53
	O3 .1471 .0248 .2059 2.00
	O4 .2403 .2726 .7134 1.47
	O5 .2380 .2681 .2831 1.55
	O6 .9840 .2215 .5903 1.44
	O7 .9808 .2262 .1291 1.61
	F1 .1127 .4916 .4465 1.13
	F2 .1083 .4949 .9304 1.36
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	Na2SiSi2O7
	Fleet M E, Henderson G S
	Physics and Chemistry of Minerals 22 (1995) 383-386
	Soidium trisilicate: A new high-pressure silicate structure (Na2Si[Si2O7])
	_database_code_amcsd 0007927
	8.922 4.8490 11.567 90 102.64 90 C2/c
	atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Si1 .45777 .28452 .11515 .00142 .00254 .00077 -.00001 .00021 -.00009
	Si2 .25 .25 .5 .00140 .00255 .00079 -.00001 .00023 .00009
	Na .1477 .29478 .18326 .00547 .00693 .00376 -.00023 .00216 -.00070
	O1 .3608 .56388 .12681 .00211 .00369 .00101 .00070 .00015 -.00003
	O2 .36502 .04726 .03572 .00203 .00351 .00140 -.00069 .00023 -.00050
	O3 .37597 .36728 .41000 .00181 .00521 .00136 .00024 .00061 .00067
	O4 0 .64740 .25 .00361 .00433 .00090 0 .00026 0
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	Ni7S6
	Fleet M E
	Acta Crystallographica B28 (1972) 1237-1241
	The crystal structure of alpha-Ni7S6
	_database_code_amcsd 0009435
	3.274 16.157 11.359 90 90 90 Bmmb
	atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	S1 .5 .25 .1418 .02077 .07523 .00215 0 0 0
	S2 0 .0450 .1207 .985 .01925 .01532 .00925 0 0 0
	S3 0 .1527 .3858 .945 .04255 .00671 .02229 0 0 0
	Ni1 .5 .1277 .2162 .436 .02824 .00912 .01494 0 0 0
	Ni2 0 .1728 .0399 .919 .01013 .01558 .01153 0 0 0
	Ni3 0 .0289 .3164 .518 .02470 .02115 .00671 0 0 0
	Ni4 0 .0346 .4805 .459 .01494 .01874 .01127 0 0 0
	Ni5 .5 .25 .3448 .965 .02938 .03065 .00671 0 0 0
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	Paratacamite
	Fleet M E
	Acta Crystallographica B31 (1975) 183-187
	The crystal structure of paratacamite, Cu2(OH)3Cl
	Sample: Ordered structure, considered to be the true structure
	_database_code_amcsd 0009525
	13.654 13.654 14.041 90 90 120 R-3
	atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Cu1 0 0 .5 .69
	Cu2 .5 .5 .5 .00159 .00184 .00102 .00087 .00001 -.00017
	Cu3 .4133 .3302 .3318 .00179 .00156 .00200 .00094 -.00011 .00019
	Cu4 .4119 .5778 .3326 .00145 .00134 .00107 .00064 -.00019 -.00011
	OH1 .5593 .6180 .4047 .58
	OH2 .564 .4322 .3908 .77
	OH3 .3666 .4284 .3905 2.51
	OH4 .0643 .1255 .3921 1.06
	Cl1 0 0 .1954 1.19
	Cl2 .5004 .5026 .1933 1.18
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	Paratacamite
	Fleet M E
	Acta Crystallographica B31 (1975) 183-187
	The crystal structure of paratacamite, Cu2(OH)3Cl
	Sample: Substructure, can be considered as the average structure
	_database_code_amcsd 0009526
	6.827 6.827 14.041 90 90 120 R-3
	atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Cu1 0 0 .5 .00639 .00639 .00095 .00319 0 0
	Cu2 .5 0 0 .00742 .00624 .00154 .00312 .00053 .00026
	O .2064 .7936 .0614 .01076 .00766 .00254 .00383 .00394 .00197
	Cl 0 0 .1938 .00912 .00912 .00137 .00456 0 0
	H .14 .28 .12
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	Paratacamite
	Fleet M E
	Acta Crystallographica B31 (1975) 183-187
	The crystal structure of paratacamite, Cu2(OH)3Cl
	Sample: Substructure, with disordered oxygens
	_database_code_amcsd 0009527
	6.827 6.827 14.041 90 90 120 R-3
	atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Cu1 0 0 .5 .00639 .00639 .00095 .00319 0 0
	Cu2 .5 0 0 .00742 .00624 .00154 .00312 .00053 .00026
	O1 .210 .790 .065 .76
	O2 .195 .805 .048 .24
	Cl 0 0 .1938 .00912 .00912 .00137 .00456 0 0
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	Magnetite
	Fleet M E
	Acta Crystallographica B37 (1981) 917-920
	The structure of magnetite
	_database_code_amcsd 0009740
	8.3941 8.3941 8.3941 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	FeT .125 .125 .125 .00124 .00124 .00124 0 0 0
	FeM .5 .5 .5 .00164 .00164 .00164 .00016 .00016 .00016
	O .2549 .2549 .2549 .00192 .00192 .00192 -.00001 -.00001 -.00001
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	Aerugite
	Fleet M E, Barbier J
	Acta Crystallographica B45 (1989) 201-205
	Structure of aerugite (Ni8.5As3O16) and interrelated
	arsenate and germanate structural series
	_database_code_amcsd 0009828
	9.8105 9.8105 9.8105 35.312 35.312 35.312 R-3m
	atom x y z occ Biso
	Ni1 0 .5 .5 .833 .456
	Ni2 .75281 .25478 .25478 .316
	As1 0 0 0 .236
	As2 .19203 .19203 .19203 .210
	O1 .12956 .12956 .12956 .362
	O2 .37881 .37881 .37881 .682
	O3 .67168 .10604 .10604 .546
	O4 .10195 .63450 .63450 .509
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	(Ni.45Mg.55)10Ge3O16
	Fleet M E, Barbier J
	Acta Crystallographica B45 (1989) 201-205
	Structure of aerugite (Ni8.5As3O16) and interrelated
	arsenate and germanate structural series
	_database_code_amcsd 0009829
	10.1250 10.1250 10.1250 33.790 33.790 33.790 R-3m
	atom x y z occ Biso
	Ni1 .5 .5 .5 .345 .312
	Mg1 .5 .5 .5 .655 .312
	Ni2 0 .5 .5 .552 .257
	Mg2 0 .5 .5 .448 .257
	Ni3 .75735 .24897 .24897 .422 .293
	Mg3 .75735 .24897 .24897 .578 .293
	Gel 0 0 0 .208
	Ge2 .18915 .18915 .18915 .222
	O1 .12717 .12717 .12717 .416
	O2 .37637 .37637 .37637 .382
	O3 .65943 .11284 .11284 .397
	O4 .12209 .62598 .62598 .389
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	H2 Mg3 O10 S2
	Fleet M, Knipe S
	Acta Crystallographica B53 (1997) 358-363
	Structure of magnesium hydroxide sulfate (2(Mg S O4) . (Mg (O H)2)) and
	solid solution in magnesium hydroxide sulfate hydrate and caminite
	_cod_database_code 1100099
	_database_code_amcsd 0018265
	7.454 7.454 12.885 90 90 90 P4_32_12
	atom x y z
	Mg1 .1239 .1239 .5
	Mg2 .1007 .3555 .25618
	S1 .2506 .99719 .12740
	O1 .1416 .1099 .1943
	O2 .3696 .8796 .1897
	O3 .2417 .4884 .1378
	O4 .1351 .8737 .0669
	O5 .3555 .1109 .0586
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	Magnetite
	Fleet M E
	Acta Crystallographica C40 (1984) 1491-1493
	The structure of magnetite: two annealed natural magnetites,
	Fe3.005O4 and Fe2.96Mg0.04O4
	Note: Sample No.633, Fe3.005, annealed at 1373 K for 7 days
	_database_code_amcsd 0009994
	8.3969 8.3969 8.3969 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	FeT .125 .125 .125 .00138 .00138 .00138 0 0 0
	FeM .5 .5 .5 .00179 .00179 .00179 .00021 .00021 .00021
	O .25468 .25468 .25468 .00212 .00212 .00212 -.00014 -.00014 -.00014
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	Magnetite
	Fleet M E
	Acta Crystallographica C40 (1984) 1491-1493
	The structure of magnetite: two annealed natural magnetites,
	Fe3.005O4 and Fe2.96Mg0.04O4
	Note: Sample No.2741, Fe2.96, annealed at 1073 K for 7 days
	_database_code_amcsd 0009995
	8.3975 8.3975 8.3975 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	FeT .125 .125 .125 .987 .00130 .00130 .00130 0 0 0
	MgT .125 .125 .125 .013 .00130 .00130 .00130 0 0 0
	FeM .5 .5 .5 .987 .00178 .00178 .00178 .00016 .00016 .00016
	MgM .5 .5 .5 .013 .00178 .00178 .00178 .00016 .00016 .00016
	O .25491 .25491 .25491 .00207 .00207 .00207 -.00012 -.00012 -.00012
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	Godlevskite
	Fleet M E
	Acta Crystallographica C43 (1987) 2255-2257
	Structure of godlevskite, Ni9S8
	_database_code_amcsd 0010055
	9.3359 11.2185 9.4300 90 90 90 C222
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Nil .22010 0 0 .967 .52 .00172 .00078 .00155 0 0 .00022
	Fel .22010 0 0 .033 .52 .00172 .00078 .00155 0 0 .00022
	Ni2 0 .5 0 .967 .44 .00155 .00095 .00111 0 0 0
	Fe2 0 .5 0 .033 .44 .00155 .00095 .00111 0 0 0
	Ni3 0 0 .21521 .967 .54 .00162 .00094 .00162 .00028 0 0
	Fe3 0 0 .21521 .033 .54 .00162 .00094 .00162 .00028 0 0
	Ni4 .25 .25 .27187 .967 .51 .00146 .00089 .00161 -.00003 0 0
	Fe4 .25 .25 .27187 .033 .51 .00146 .00089 .00161 -.00003 0 0
	Ni5 0 .23652 .5 .967 .76 .00314 .00067 .00235 0 -.00111 0
	Fe5 0 .23652 .5 .033 .76 .00314 .00067 .00235 0 -.00111 0
	Ni6 0 0 .5 .967 .74 .00217 .00167 .00174 0 0 0
	Ni6 0 0 .5 .033 .74 .00217 .00167 .00174 0 0 0
	Ni7 .37369 .68414 .12145 .967 .48 .00142 .00095 .00133 .00008 -.00001 -.00005
	Fe7 .37369 .68414 .12145 .033 .48 .00142 .00095 .00133 .00008 -.00001 -.00005
	Ni8 .12569 .58779 .37368 .967 .51 .00131 .00128 .00120 .00009 .00006 -.00017
	Fe8 .12569 .58779 .37368 .033 .51 .00131 .00128 .00120 .00009 .00006 -.00017
	S1 .13268 .61610 .13483 .51 .00142 .00112 .00129 -.00001 .00004 -.00005
	S2 .36724 .61693 .36158 .53 .00145 .00139 .00110 .00007 -.00027 -.00021
	S3 .38213 .34835 .11982 .56 .00139 .00129 .00147 -.00031 -.00019 .00002
	S4 .11977 .38020 .38590 .60 .00181 .00134 .00141 .00023 .00011 -.00016
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	Na4Ge9O20
	Fleet M E
	Acta Crystallographica C46 (1990) 1202-1204
	Refinement of the structure of sodium enneagermanate (Na4Ge9O20)
	_database_code_amcsd 0010155
	15.0263 15.0263 7.3971 90 90 90 *I4_1/a
	0 .25 .125
	atom x y z occ Biso
	Na .08666 .05566 .16931 2.010
	Ge1 0 .25 .125 .5 .527
	Ge2 .13657 .04603 .70097 .540
	Ge3 .09568 .21773 .49080 .509
	O1 .09204 .21194 .24544 .801
	O2 .08005 .22213 .74549 .655
	O3 .18871 .07324 .90670 .817
	O4 .02503 .04537 .75873 .848
	O5 .15385 .10846 .50551 .789
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	Cubanite
	Fleet M E
	Zeitschrift fur Kristallographie 132 (1971) 276-287
	Refinement of the crystal structure of
	cubanite and polymorphism of CuFe2S3
	Sample: anisotropic refinement
	Note: x(S1) corrected
	_database_code_amcsd 0010719
	6.4679 11.1201 6.2336 90 90 90 Pcmn
	atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Cu .5797 .25 .1207 .001530 .001688 .006350 0 0 0
	Fe .4131 .4131 .6372 .001530 .001688 .006350 0 0 0
	S1 .5692 .25 .7595 .005898 .001140 .005514 0 0 0
	S2 .4027 .4137 .2667 .007912 .002497 .006852 0 0 0
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	Cubanite
	Fleet M E
	Zeitschrift fur Kristallographie 132 (1971) 276-287
	Refinement of the crystal structure of
	cubanite and polymorphism of CuFe2S3
	Sample: isotropic refinement
	_database_code_amcsd 0010720
	6.4679 11.1201 6.2336 90 90 90 Pcmn
	atom x y z Biso
	Cu .5792 .25 .1205 1.221
	Fe .4125 .4131 .6372 .806
	S1 .5693 .25 .7595 .637
	S2 .4038 .4137 .2672 .837
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	Lorandite
	Fleet M E
	Zeitschrift fur Kristallographie 138 (1973) 147-160
	The crystal structure and bonding of lorandite, Tl2As2S4
	_database_code_amcsd 0010746
	12.28 11.30 6.10 90 104.5 90 P2_1/a
	atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Tl1 .0519 .3121 .1619 .00459 .00411 .00931 .00000 .01210 .00000
	Tl2 .1009 .0560 .7357 .00530 .00411 .00931 .00000 .01459 .00000
	As1 .1960 .8353 .2266 .00477 .00293 .00501 .00000 .00640 .00000
	As2 .1361 .5865 .5320 .00583 .00254 .00931 .00000 .02563 .00000
	S1 .131 .316 .721 3.3
	S2 .147 .553 .183 1.6
	S3 .174 .786 .577 2.2
	S4 .183 .038 .272 1.7
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