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-(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-(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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	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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	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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	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
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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: 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
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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: 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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	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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	Apatite-(CaF)
	McCubbin F M, Mason H E, Park H, Phillips B L, Parise J B, Nekvasil H, Lindsley D H
	American Mineralogist 93 (2008) 210-216
	Synthesis and characterization of low-OH- fluor-chlorapatite: a single-crystal
	XRD and NMR spectroscopic study
	Locality: synthetic
	_database_code_amcsd 0004515
	9.441 9.441 6.835 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 .00159 .00377 .0053 .0053 .0008 .00263 0 0
	Ca2 -.00483 .24902 .25 .00676 .0025 .0120 .0021 .0009 0 0
	Cl 0 0 .126 .2 .029 .0022 .0022 .081 .0011 0 0
	P .36958 .40062 .25 .00156 .0024 .0024 .0008 .0019 0 0
	F 0 0 .25 .5 .019 .007 .007 .042 .0035 0 0
	O1 .4860 .3313 .25 .0044 .0033 .0068 .0056 .0044 0 0
	O2 .4654 .5889 .25 .0076 .0069 .0026 .0132 .0023 0 0
	O3 .2593 .3455 .0695 .0112 .0095 .0229 .0074 .0128 -.0059 -.0093
	OH4 0 0 .41 .05 .26
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	Apatite-(CaF)
	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 0004842
	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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	Apatite-(CaF)
	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 0004844
	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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	Apatite-(CaF)
	Rakovan J F, Hughes J M
	The Canadian Mineralogist 38 (2000) 839-845
	Strontium in the apatite structure: Strontian fluorapatite and belovite-(Ce)
	_database_code_amcsd 0005689
	9.416 9.416 6.924 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)
	Ca(1) 2/3 1/3 .0004 .9741 .842 .00341 .00341 .0037 .001705 0 0
	Sr(1) 2/3 1/3 .0004 .0259 .842 .00341 .00341 .0037 .001705 0 0
	Ca(2) .24967 .01007 1/4 .8229 .912 .00310 .00331 .00448 .001125 0 0
	Sr(2) .24967 .01007 1/4 .1771 .912 .00310 .00331 .00448 .001125 0 0
	P .02937 .63066 1/4 .66 .00208 .00230 .0041 .000905 0 0
	O(1) .4849 .3278 1/4 1.16 .0044 .0053 .0068 .00355 0 0
	O(2) .4129 .8794 1/4 1.30 .0027 .0037 .0111 .0014 0 0
	O(3) .0836 .7422 .0721 1.50 .0053 .0043 .0061 .0004 -.00095 .0019
	F 0 0 1/4 2.68 .0063 .0063 .025 .00315 0 0
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	Apatite-(CaF)
	Comodi P, Liu Y, Zanazzi P F, Montagnoli M
	Physics and Chemistry of Minerals 28 (2001) 219-224
	Structural and vibrational behaviour of fluorapatite with pressure.
	Part 1: in situ single-crystal X-ray diffraction investigation
	Sample: P = .0001 GPa
	_database_code_amcsd 0008537
	9.375 9.375 6.887 90 90 120 P6_3/m
	atom x y z Uiso
	Ca1 2/3 1/3 .0011 .0130
	Ca2 -.00721 .24154 .25 .0126
	P .36853 .39785 .25 .0096
	O1 .4844 .3267 .25 .0137
	O2 .4666 .5873 .25 .0163
	O3 .2572 .3416 .0705 .0188
	F 0 0 .25 .0266
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	Apatite-(CaF)
	Comodi P, Liu Y, Zanazzi P F, Montagnoli M
	Physics and Chemistry of Minerals 28 (2001) 219-224
	Structural and vibrational behaviour of fluorapatite with pressure.
	Part 1: in situ single-crystal X-ray diffraction investigation
	Sample: P = 3.04 GPa
	_database_code_amcsd 0008538
	9.268 9.268 6.834 90 90 120 P6_3/m
	atom x y z Uiso
	Ca1 2/3 1/3 .0008 .0106
	Ca2 -.0096 .2396 .25 .0095
	P .3681 .3975 .25 .0078
	O1 .4838 .3246 .25 .0011
	O2 .4675 .5880 .25 .0014
	O3 .2562 .3421 .0688 .0171
	F 0 0 .25 .031
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Apatite-(CaF)
	Comodi P, Liu Y, Zanazzi P F, Montagnoli M
	Physics and Chemistry of Minerals 28 (2001) 219-224
	Structural and vibrational behaviour of fluorapatite with pressure.
	Part 1: in situ single-crystal X-ray diffraction investigation
	Sample: P = 4.72 GPa
	_database_code_amcsd 0008539
	9.224 9.224 6.805 90 90 120 P6_3/m
	atom x y z Uiso
	Ca1 2/3 1/3 .0009 .0105
	Ca2 -.011 .2383 .25 .0100
	P .3683 .3976 .25 .0072
	O1 .4836 .3233 .25 .010
	O2 .4695 .5891 .25 .014
	O3 .2565 .3420 .0694 .0176
	F 0 0 .25 .035
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