Phenakite
	Downs J W, Gibbs G V
	American Mineralogist 72 (1987) 769-777
	An exploratory examination of the electron density and electrostatic potential
	of phenakite
	12.472 12.472 8.251 90 90 120 R-3
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Si .19562 .98402 .74990 .0035 .0030 .00300 .00141 .00005 .00014
	Be1 .1943 .9841 .4156 .0052 .0055 .0048 .0026 -.0005 .0003
	Be2 .1941 .9822 .0846 .0045 .0056 .0053 .0023 -.0001 -.0000
	O1 .20975 .12125 .7503 .0075 .0042 .0036 .0037 .0000 -.0003
	O2 .33382 .00040 .74991 .0027 .0044 .0059 .0017 -.0002 -.0003
	O3 .12223 .91217 .91497 .0043 .0047 .0035 .0014 .0003 .0001
	O4 .12228 .91342 .58495 .0040 .0047 .0035 .0010 -.0002 -.0003
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	Bertrandite
	Downs J W, Ross F K
	American Mineralogist 72 (1987) 979-983
	Neutron-diffraction study of bertrandite
	Note: O2y has been corrected
	8.7135 15.268 4.5683 90 90 90 Cmc2_1
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Si .3251 .1141 .6540 .0103 .0030 .0090 -.0008 -.0004 .0000
	Be1 .1726 .05249 .1562 .0104 .0054 .0107 .0008 -.0007 -.0006
	Be2 .3264 .22023 .1509 .0126 .0059 .0111 .0003 -.0005 .0013
	H1 0 .2006 .4203 .0210 .0289 .0351 0 0 -.0176
	H2 .5 .3675 .4530 .0295 .0250 .0407 0 0 -.0153
	O1 .2899 .1243 0 .0136 .0042 .0096 -.0015 .0018 -.0005
	O2 .2095 .0430 .5065 .0126 .0053 .0101 -.0020 -.0012 .0003
	O3 .2938 .2091 .5012 .0153 .0047 .0099 .0015 -.006 .0005
	O4 .5 .0847 .5916 .0077 .0092 .0172 0 0 -.0027
	O5 .5 .2553 .0877 .0105 .0101 .0158 0 0 .0028
	O6 0 .0876 .0978 .0122 .0104 .0137 0 0 .0011
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	Andradite
	Kingma K J, Downs J W
	American Mineralogist 74 (1989) 1307-1316
	Crystal-structure analysis of a birefringent andradite
	12.048 12.048 12.048 90 90 90 I-1
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Ca1 .1251 .0001 .2498 0.0006 0.0010 0.0009 .0001 -.0002 .0001
	Ca2 .2496 .1252 .0001 0.0010 0.0007 0.0010 .0000 .0000 .0000
	Ca3 -.0001 .2498 .1252 0.0008 0.0012 0.0007 .0001 .0002 -.0003
	Ca4 .6250 .0001 .2501 0.0005 0.0010 0.0007 -.0002 .0003 .0000
	Ca5 .2499 .6250 -.0001 0.0008 0.0005 0.0008 .0002 -.0001 .0000
	Ca6 .0000 .2500 .6251 0.0009 0.0008 0.0004 .0000 .0000 .0002
	Fe1 0 0 0 .88 0.0007 0.0008 0.0006 -.0001 .0000 -.0001
	Fe2 0 .5 .5 .99 0.0004 0.0005 0.0009 .0003 -.0002 -.0001
	Fe3 .5 0 .5 .91 0.0008 0.0006 0.0004 -.0001 -.0001 .0001
	Fe4 .5 .5 0 .98 0.0004 0.0006 0.0003 .0001 .0002 .0001
	Fe5 .25 .25 .25 .89 0.0007 0.0007 0.0008 -.0001 -.0002 .0000
	Fe6 .25 .75 .75 .92 0.0006 0.0009 0.0003 -.0003 .0001 .0003
	Fe7 .75 .25 .75 .98 0.0005 0.0006 0.0007 .0003 .0000 -.0001
	Fe8 .75 .75 .25 .99 0.0008 0.0007 0.0005 .0001 .0001 -.0001
	Si1 .3751 .0000 .2501 0.0004 0.0007 0.0007 .0000 .0001 -.0002
	Si2 .2497 .3751 -.0001 0.0005 0.0007 0.0008 .0002 .0000 -.0003
	Si3 -.0001 .2498 .3751 0.0008 0.0008 0.0005 .0001 -.0002 .0002
	Si4 .8750 .0005 .2496 0.0009 0.0008 0.0008 .0000 -.0003 .0000
	Si5 .2496 .8753 .0000 0.0010 0.0008 0.0005 -.0003 -.0002 .0003
	Si6 -.0001 .2498 .8755 0.0005 0.0007 0.0008 .0001 .0001 -.0002
	O1 .0391 .0490 .6556 0.41
	O2 .5391 .4523 .3451 0.51
	O3 .9604 .5493 .8446 0.38
	O4 .4612 .9519 .1550 0.46
	O5 .6551 .0383 .0495 0.41
	O6 .1553 .4612 .9516 0.47
	O7 .3450 .5393 .4516 0.55
	O8 .8442 .9607 .5491 0.39
	O9 .0490 .6549 .0396 0.45
	O10 .5486 .8448 .9600 0.43
	O11 .9507 .1555 .4607 0.50
	O12 .4519 .3449 .5396 0.51
	O13 .2891 .9057 .2989 0.48
	O14 .7894 .5950 .7021 0.51
	O15 .7101 .4058 .2010 0.53
	O16 .2109 .0948 .7983 0.40
	O17 .2989 .2887 .9055 0.48
	O18 .7990 .2107 .0943 0.39
	O19 .7013 .7900 .5946 0.53
	O20 .2012 .7107 .4059 0.52
	O21 .9052 .2995 .2885 0.52
	O22 .4049 .2015 .7114 0.52
	O23 .0943 .7991 .2107 0.47
	O24 .5947 .7018 .7894 0.50
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	Ringwoodite
	Hazen R M, Downs R T, Finger L W
	American Mineralogist 78 (1993) 1320-1323
	Crystal chemistry of ferromagnesian silicate spinels: Evidence for Mg-Si
	disorder
	Sample: SUNY 859
	8.0709 8.0709 8.0709 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)
	Si .125 .125 .125 .00199 .00199 .00199 0 0 0
	Mg .5 .5 .5 .00263 .00263 .00263 -.00016 -.00016 -.00016
	O .2441 .2441 .2441 .00197 .00197 .00197 -.00004 -.00004 -.00004
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	Ringwoodite
	Hazen R M, Downs R T, Finger L W
	American Mineralogist 78 (1993) 1320-1323
	Crystal chemistry of ferromagnesian silicate spinels: Evidence for Mg-Si
	disorder
	Sample: SUNY 1013
	8.1763 8.1763 8.1763 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)
	Si .125 .125 .125 .00144 .00144 .00144 0 0 0
	Mg .5 .5 .5 .383 .00192 .00192 .00192 .00004 .00004 .00004
	Fe .5 .5 .5 .617 .00192 .00192 .00192 .00004 .00004 .00004
	O .2420 .2420 .2420 .00212 .00212 .00212 .00001 .00001 .00001
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	Ringwoodite
	Hazen R M, Downs R T, Finger L W
	American Mineralogist 78 (1993) 1320-1323
	Crystal chemistry of ferromagnesian silicate spinels: Evidence for Mg-Si
	disorder
	Sample: SUNY 1097
	8.2030 8.2030 8.2030 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)
	Si .125 .125 .125 .00147 .00147 .00147 0 0 0
	Mg .5 .5 .5 .21 .00180 .00180 .00180 .00001 .00001 .00001
	Fe .5 .5 .5 .79 .00180 .00180 .00180 .00001 .00001 .00001
	O .2415 .2415 .2415 .00209 .00209 .00209 -.00007 -.00007 -.00007
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	Ringwoodite
	Hazen R M, Downs R T, Finger L W
	American Mineralogist 78 (1993) 1320-1323
	Crystal chemistry of ferromagnesian silicate spinels: Evidence for Mg-Si
	disorder
	Sample: SUNY 1102
	8.2059 8.2059 8.2059 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)
	Si .125 .125 .125 .00157 .00157 .00157 0 0 0
	Mg .5 .5 .5 .218 .00208 .00208 .00208 .00002 .00002 .00002
	Fe .5 .5 .5 .782 .00208 .00208 .00208 .00002 .00002 .00002
	O .2418 .2418 .2418 .00212 .00212 .00212 .00037 .00037 .00037
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	Cristobalite
	Downs R T, Palmer D C
	American Mineralogist 79 (1994) 9-14
	The pressure behavior of alpha cristobalite
	P = room pressure
	4.9717 4.9717 6.9223 90 90 90 P4_12_12
	atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Si .30028 .30028 0 .0077 .0077 .00401 -.0003 .0008 -.0008
	O .2392 .1044 .1787 .0244 .0086 .0062 -.0013 .0027 .0005
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	Cristobalite
	Downs R T, Palmer D C
	American Mineralogist 79 (1994) 9-14
	The pressure behavior of alpha cristobalite
	P = 0.19 GPa
	4.9501 4.9501 6.8760 90 90 90 P4_12_12
	atom x y z Biso
	Si .3027 .3027 0 .80
	O .2388 .1086 .1817 1.22
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	Cristobalite
	Downs R T, Palmer D C
	American Mineralogist 79 (1994) 9-14
	The pressure behavior of alpha cristobalite
	P = 0.73 GPa
	4.9028 4.9028 6.7782 90 90 90 P4_12_12
	atom x y z Biso
	Si .3086 .3086 0 .63
	O .2364 .1198 .1870 1.07
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	Cristobalite
	Downs R T, Palmer D C
	American Mineralogist 79 (1994) 9-14
	The pressure behavior of alpha cristobalite
	P = 1.05 GPa
	4.8757 4.8757 6.7163 90 90 90 P4_12_12
	atom x y z Biso
	Si .3125 .3125 0 .51
	O .2356 .1269 .1904 1.12
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	Majorite
	Hazen R M, Downs R T, Finger L W, Conrad P G, Gasparik T
	American Mineralogist 79 (1994) 581-584
	Crystal chemistry of Ca-bearing majorite
	11.5816 11.5816 11.5288 90 90 90 *I4_1/a
	.5 .25 .125
	atom x y z occ Biso
	Mg1 .1265 .0137 .2576 .917 .83
	Ca1 .1265 .0137 .2576 .083 .83
	Mg2 .5 .25 .6258 .677 2.20
	Ca2 .5 .25 .6258 .323 2.20
	Mg1 0 0 .5 .44
	Si2 0 0 0 .44
	Si1 0 .25 .375 .59
	Si2 0 .25 .875 .59
	Si3 .6259 .0072 .7575 .59
	O1 .0251 .0524 .6666 .61
	O2 .0420 -.0462 .8635 .61
	O3 .2212 .1100 .7934 .61
	O4 .2172 -.0839 .7026 .61
	O5 -.0530 .1585 .4697 .61
	O6 -.1024 .2141 .7842 .61
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	Albite
	Downs R T, Hazen R M, Finger L W
	American Mineralogist 79 (1994) 1042-1052
	The high-pressure crystal chemistry of low albite and the origin of the
	pressure dependency of Al-Si ordering
	P = 0, complete data set
	Note: sample is from Crete
	8.1372 12.787 7.1574 94.245 116.605 87.809 C-1
	atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Al .008871 .168353 .208446 .003338 .001017 .003857 -.000249 .001828 .000082
	Si1m .003705 .820297 .237070 .003248 .000936 .003253 .000273 .001558 .000195
	Si2o .691614 .110197 .314831 .002986 .000819 .004423 .000003 .001521 .000180
	Si2m .681580 .881758 .360403 .002803 .000862 .004429 .000110 .001562 .000259
	Na .268233 .989297 .146106 .005908 .006434 .016852 -.000885 .004068 -.006040
	O(A1) .005227 .131136 .967327 .007137 .001633 .004859 -.000025 .003387 .000532
	O(A2) .591863 .997055 .280401 .003567 .001000 .005977 -.000079 .001449 .000442
	O(B)o .812676 .109738 .190971 .005557 .001782 .008634 -.000638 .004309 -.000318
	O(B)m .820129 .850983 .258483 .005818 .002325 .011244 .000916 .005770 .000292
	O(C)o .012877 .301867 .270911 .004959 .001163 .007863 -.000305 .002748 -.000015
	O(C)m .023369 .693554 .228850 .004581 .001082 .008161 .000433 .001824 .000354
	O(D)o .206807 .109074 .388991 .005404 .001715 .004827 .000512 .001054 .000400
	O(D)m .184026 .868037 .435997 .006104 .001866 .005118 -.000498 .000431 -.000159
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	Albite
	Downs R T, Hazen R M, Finger L W
	American Mineralogist 79 (1994) 1042-1052
	The high-pressure crystal chemistry of low albite and the origin of the
	pressure dependency of Al-Si ordering
	P = 0, constrained data set
	Note: sample is from Crete
	8.1372 12.7870 7.1574 94.245 116.605 87.809 C-1
	atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Na .269134 .989040 .148935 3.0 .00661 .00644 .01801 -.00103 .00518 -.00592
	Al1o .008896 .168193 .207617 .64
	Si1m .003984 .820432 .236646 .63
	Si2o .692220 .110443 .315895 .59
	Si2m .681617 .881794 .360883 .61
	O(A1) .006146 .131658 .968891 1.17
	O(A2) .591577 .997059 .278960 .77
	O(B)o .813702 .110113 .195038 1.05
	O(B)m .818977 .850892 .256290 1.19
	O(C)o .012388 .301848 .269006 .96
	O(C)m .023273 .693405 .227539 .92
	O(D)o .206430 .108942 .386309 1.19
	O(D)m .180922 .868009 .428643 1.44
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	Albite
	Downs R T, Hazen R M, Finger L W
	American Mineralogist 79 (1994) 1042-1052
	The high-pressure crystal chemistry of low albite and the origin of the
	pressure dependency of Al-Si ordering
	P = .44 GPa
	Note: sample is from Crete
	8.1104 12.7710 7.1482 94.244 116.667 87.835 C-1
	atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Na .265985 .989646 .141112 3.6 .00639 .00629 .03100 -.00146 .00792 -.00681
	Al1o .008580 .168118 .208646 .66
	Si1m .003234 .820428 .236432 .65
	Si2o .691465 .109935 .315916 .58
	Si2m .680954 .881794 .363229 .58
	O(A1) .006703 .131482 .968873 1.10
	O(A2) .589621 .997326 .279411 .72
	O(B)o .811916 .109127 .191438 .99
	O(B)m .818838 .851013 .256494 1.18
	O(C)o .010657 .301451 .269789 .86
	O(C)m .024408 .694022 .233163 1.02
	O(D)o .203183 .108542 .377684 1.25
	O(D)m .176776 .866816 .422810 1.42
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	Albite
	Downs R T, Hazen R M, Finger L W
	American Mineralogist 79 (1994) 1042-1052
	The high-pressure crystal chemistry of low albite and the origin of the
	pressure dependency of Al-Si ordering
	P = 1.22 GPa
	Note: sample is from Crete
	8.0510 12.7336 7.1242 94.252 116.784 87.909 C-1
	atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Na .263883 .990707 .141914 4.2 .00916 .00576 .04824 -.00070 .01680 -.00482
	Al1o .007189 .167548 .206792 .57
	Si1m .001821 .820863 .236207 .54
	Si2o .690937 .109614 .316885 .52
	Si2m .676495 .881260 .360042 .56
	O(A1) .005997 .131056 .970082 .93
	O(A2) .584997 .996465 .276788 .48
	O(B)o .810221 .106478 .188614 1.05
	O(B)m .814714 .850320 .250473 1.24
	O(C)o .008334 .300961 .272668 .86
	O(C)m .021481 .694079 .228248 .88
	O(D)o .210446 .108983 .391119 1.08
	O(D)m .174357 .866692 .423200 1.39
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	Albite
	Downs R T, Hazen R M, Finger L W
	American Mineralogist 79 (1994) 1042-1052
	The high-pressure crystal chemistry of low albite and the origin of the
	pressure dependency of Al-Si ordering
	P = 2.68 GPa
	Note: sample is from Crete
	7.9567 12.6784 7.0897 94.217 116.992 88.025 C-1
	atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Na .258665 .993009 .139165 3.8 .01037 .00479 .04300 -.00013 .01596 -.00440
	Al1o .005804 .166405 .206524 .60
	Si1m -.000254 .820598 .236094 .54
	Si2o .687345 .108455 .311366 .49
	Si2m .671640 .880229 .359855 .48
	O(A1) .007293 .129230 .967437 .90
	O(A2) .581026 .996411 .282414 .68
	O(B)o .807880 .101963 .183963 .99
	O(B)m .811602 .849250 .255032 1.27
	O(C)o -.000742 .300211 .272186 .88
	O(C)m .019268 .693517 .223978 .78
	O(D)o .211417 .110305 .386304 1.32
	O(D)m .178189 .868105 .429146 1.59
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	Albite
	Downs R T, Hazen R M, Finger L W
	American Mineralogist 79 (1994) 1042-1052
	The high-pressure crystal chemistry of low albite and the origin of the
	pressure dependency of Al-Si ordering
	P = 3.78 GPa
	Note: sample is from Crete
	7.8925 12.6400 7.0667 94.177 117.074 88.128 C-1
	atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Na .259554 .993991 .146231 2.4 .00585 .00467 .01862 -.00075 .00565 -.00564
	Al1o .004071 .165725 .205574 .62
	Si1m -.003004 .820357 .235064 .60
	Si2o .684489 .107146 .307435 .57
	Si2m .665743 .879248 .355477 .53
	O(A1) .009339 .127420 .968440 .85
	O(A2) .577834 .996000 .280509 .46
	O(B)o .807883 .099549 .185352 1.04
	O(B)m .805414 .848356 .250659 1.31
	O(C)o -.006564 .299215 .270386 .85
	O(C)m .016696 .693325 .222220 .87
	O(D)o .212359 .111803 .387660 1.08
	O(D)m .177043 .869401 .434067 1.34
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	Pb(Al,Si)4O8
	Downs R T, Hazen R M, Finger L W
	American Mineralogist 80 (1995) 937-940
	Crystal chemistry of lead aluminosilicate hollandite: A new high-pressure
	synthetic phase with octahedral Si
	9.414 9.414 2.75 90 90 90 I4
	atom x y z occ Biso
	Pb1 .0435 0 .4146 .466 1.5
	Pb2 0 0 .7179 .334 1.5
	Si .3510 .1638 0 .6 .61
	Al .3510 .1638 0 .4 .61
	O1 .1546 .2016 0 .4
	O2 .5418 .1641 0 .4
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	LiScSiO4
	Hazen R M, Downs R T, Finger L W
	American Mineralogist 81 (1996) 327-334
	High-pressure crystal chemistry of LiScSiO4: An olivine with nearly isotropic
	compression
	Sample: #0, P = 0.0 GPa
	4.8168 10.4317 5.9650 90 90 90 Pbnm
	atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Si .431128 .091110 .25 .004852 .000976 .002874 -.000075 0 0
	Li 0 0 0 .013797 .004417 .007966 -.000998 .000629 -.001532
	Sc .992305 .274328 .25 .005292 .000912 .002660 .000070 0 0
	O1 .763143 .101286 .25 .006870 .001418 .004258 -.000431 0 0
	O2 .195412 .447740 .25 .005916 .001311 .005503 .000020 0 0
	O3 .282129 .168450 .040062 .008008 .001507 .003193 .000040 .000551 .000487
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	LiScSiO4
	Hazen R M, Downs R T, Finger L W
	American Mineralogist 81 (1996) 327-334
	High-pressure crystal chemistry of LiScSiO4: An olivine with nearly isotropic
	compression
	Sample: #1, P = 0.06 GPa
	4.8189 10.4373 5.9695 90 90 90 Pbnm
	atom x y z Biso
	Si .4315516 .0910095 .25 .44
	Li 0 0 0 1.6
	Sc .9926115 .2743784 .25 .38
	O1 .7646101 .1009603 .25 .57
	O2 .1965941 .4478585 .25 .57
	O3 .2845206 .1678772 .0399179 .48
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	LiScSiO4
	Hazen R M, Downs R T, Finger L W
	American Mineralogist 81 (1996) 327-334
	High-pressure crystal chemistry of LiScSiO4: An olivine with nearly isotropic
	compression
	Sample: #2, P = 0.21 GPa
	4.8198 10.4378 5.9699 90 90 90 Pbnm
	atom x y z Biso
	Si .4316791 .0911674 .25 .38
	Li 0 0 0 1.6
	Sc .9922526 .2742862 .25 .42
	O1 .7655473 .1006997 .25 .51
	O2 .1990408 .4470757 .25 .64
	O3 .2844428 .1680092 .0399152 .54
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	LiScSiO4
	Hazen R M, Downs R T, Finger L W
	American Mineralogist 81 (1996) 327-334
	High-pressure crystal chemistry of LiScSiO4: An olivine with nearly isotropic
	compression
	Sample: #2, P = 0.23 GPa
	4.8190 10.4333 5.9672 90 90 90 Pbnm
	atom x y z Biso
	Si .4321413 .0909888 .25 .48
	Li 0 0 0 1.3
	Sc .9917196 .2745792 .25 .37
	O1 .7628070 .1001960 .25 .62
	O2 .2002338 .4477317 .25 .48
	O3 .2826551 .1683509 .0392019 .44
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	LiScSiO4
	Hazen R M, Downs R T, Finger L W
	American Mineralogist 81 (1996) 327-334
	High-pressure crystal chemistry of LiScSiO4: An olivine with nearly isotropic
	compression
	Sample: #2, P = 0.99 GPa
	4.8040 10.4117 5.9533 90 90 90 Pbnm
	atom x y z Biso
	Si .4314391 .0902022 .25 .47
	Li 0 0 0 1.6
	Sc .9908078 .2741909 .25 .42
	O1 .7637825 .0991790 .25 .68
	O2 .1974812 .4470900 .25 .58
	O3 .2821274 .1683816 .0393386 .67
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	LiScSiO4
	Hazen R M, Downs R T, Finger L W
	American Mineralogist 81 (1996) 327-334
	High-pressure crystal chemistry of LiScSiO4: An olivine with nearly isotropic
	compression
	Sample: #1, P = 1.46 GPa
	4.7996 10.3925 5.9443 90 90 90 Pbnm
	atom x y z Biso
	Si .4301067 .0902736 .25 .38
	Li 0 0 0 2.0
	Sc .9914462 .2741655 .25 .31
	O1 .7628687 .0996600 .25 .64
	O2 .1986488 .4465256 .25 .34
	O3 .2821949 .1673254 .0398317 .38
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	LiScSiO4
	Hazen R M, Downs R T, Finger L W
	American Mineralogist 81 (1996) 327-334
	High-pressure crystal chemistry of LiScSiO4: An olivine with nearly isotropic
	compression
	Sample: #2, P = 2.17 GPa
	4.7918 10.3784 5.9365 90 90 90 Pbnm
	atom x y z Biso
	Si .4307365 .0903482 .25 .46
	Li 0 0 0 1.3
	Sc .9906455 .2739263 .25 .38
	O1 .7619395 .0995701 .25 .54
	O2 .2019074 .4462019 .25 .47
	O3 .2804476 .1673280 .0384211 .53
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	LiScSiO4
	Hazen R M, Downs R T, Finger L W
	American Mineralogist 81 (1996) 327-334
	High-pressure crystal chemistry of LiScSiO4: An olivine with nearly isotropic
	compression
	Sample: #2, P = 3.02 GPa
	4.7802 10.3514 5.9224 90 90 90 Pbnm
	atom x y z Biso
	Si .4295265 .0895102 .25 .38
	Li 0 0 0 1.2
	Sc .9897961 .2739084 .25 .32
	O1 .7585185 .0985864 .25 .43
	O2 .2014213 .4459190 .25 .41
	O3 .2763462 .1672952 .0390355 .37
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	LiScSiO4
	Hazen R M, Downs R T, Finger L W
	American Mineralogist 81 (1996) 327-334
	High-pressure crystal chemistry of LiScSiO4: An olivine with nearly isotropic
	compression
	Sample: #2, P = 3.72 GPa
	4.7717 10.3320 5.9128 90 90 90 Pbnm
	atom x y z Biso
	Si .4293633 .0892922 .25 .46
	Li 0 0 0 1.2
	Sc .9893761 .2739497 .25 .37
	O1 .7633687 .0986614 .25 .57
	O2 .2065014 .4444102 .25 .51
	O3 .2789554 .1663961 .0388826 .50
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	LiScSiO4
	Hazen R M, Downs R T, Finger L W
	American Mineralogist 81 (1996) 327-334
	High-pressure crystal chemistry of LiScSiO4: An olivine with nearly isotropic
	compression
	Sample: #2, P = 4.51 GPa
	4.7611 10.3072 5.9006 90 90 90 Pbnm
	atom x y z Biso
	Si .4280926 .0885396 .25 .39
	Li 0 0 0 1.1
	Sc .9875963 .2736048 .25 .35
	O1 .7620447 .0977352 .25 .55
	O2 .2060464 .4450398 .25 .74
	O3 .2758902 .1670388 .0382092 .47
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	LiScSiO4
	Hazen R M, Downs R T, Finger L W
	American Mineralogist 81 (1996) 327-334
	High-pressure crystal chemistry of LiScSiO4: An olivine with nearly isotropic
	compression
	Sample: #2, P = 5.15 GPa
	4.7535 10.2864 5.8895 90 90 90 Pbnm
	atom x y z Biso
	Si .4266061 .0882744 .25 .36
	Li 0 0 0 1.2
	Sc .9867975 .2735075 .25 .32
	O1 .7587351 .0968072 .25 .49
	O2 .2073437 .4444884 .25 .57
	O3 .2747774 .1666546 .0382006 .46
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	Kyanite
	Yang H, Downs R T, Finger L W, Hazen R M, Prewitt C T
	American Mineralogist 82 (1997) 467-474
	Compressibility and crystal structure of kyanite, Al2SiO5, at high pressure
	Sample: at P = 0.0 GPa, in air
	7.1200 7.8479 5.5738 89.974 101.117 106.000 P-1
	atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Al1 .32533 .70412 .45812 .00143 .00142 .00204 .00038 .00040 .00038
	Al2 .29740 .69882 .95040 .00169 .00099 .00210 .00038 .00049 .00000
	Al3 .09980 .38615 .64043 .00157 .00080 .00270 .00033 .00051 .00032
	Al4 .11205 .91750 .16469 .00168 .00095 .00276 .00054 .00056 .00028
	Si1 .29625 .06488 .70657 .00114 .00081 .00219 .00028 .00049 .00001
	Si2 .29102 .33168 .18937 .00122 .00084 .00196 .00032 .00027 .00005
	O1 .10933 .14685 .12866 .00227 .00120 .00378 .00039 .00028 -.00010
	O2 .12287 .68535 .18113 .00178 .00096 .00299 .00040 .00063 .00021
	O3 .27507 .45443 .95474 .00225 .00129 .00301 .00051 .00031 .00019
	O4 .28353 .93570 .93567 .00215 .00122 .00318 .00066 .00099 .00033
	O5 .10836 .15210 .66671 .00162 .00146 .00343 .00052 .00087 .00032
	O6 .12192 .63063 .63939 .00176 .00134 .00245 .00054 .00047 .00002
	O7 .28226 .44512 .42868 .00219 .00147 .00290 .00063 .00094 -.00021
	O8 .29156 .94684 .46574 .00234 .00140 .00288 .00077 .00049 -.00010
	O9 .50074 .27519 .24405 .00177 .00192 .00281 .00078 .00062 .00015
	O10 .50154 .23099 .75595 .00166 .00165 .00261 .00078 .00051 .00014
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	Kyanite
	Yang H, Downs R T, Finger L W, Hazen R M, Prewitt C T
	American Mineralogist 82 (1997) 467-474
	Compressibility and crystal structure of kyanite, Al2SiO5, at high pressure
	Sample: at P = 1.35 GPa
	7.1038 7.8305 5.5605 90.023 101.112 106.001 P-1
	atom x y z Biso
	Al1 .3249 .7041 .4581 .43
	Al2 .2972 .6989 .9499 .35
	Al3 .0996 .3861 .6405 .37
	Al4 .1114 .9171 .1639 .37
	Si1 .2964 .0647 .7067 .38
	Si2 .2922 .3324 .1911 .35
	O1 .1092 .1480 .1296 .37
	O2 .1215 .6844 .1786 .46
	O3 .2748 .4546 .9550 .42
	O4 .2837 .9361 .9367 .44
	O5 .1080 .1516 .6670 .46
	O6 .1213 .6310 .6403 .45
	O7 .2821 .4455 .4297 .45
	O8 .2915 .9476 .4657 .44
	O9 .5005 .2743 .2445 .57
	O10 .5015 .2320 .7555 .57
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	Kyanite
	Yang H, Downs R T, Finger L W, Hazen R M, Prewitt C T
	American Mineralogist 82 (1997) 467-474
	Compressibility and crystal structure of kyanite, Al2SiO5, at high pressure
	Sample: at P = 2.54 GPa
	7.0896 7.8173 5.5497 90.031 101.098 105.987 P-1
	atom x y z Biso
	Al1 .3245 .7038 .4572 .42
	Al2 .2973 .6990 .9507 .38
	Al3 .0997 .3862 .6408 .40
	Al4 .1116 .9170 .1642 .42
	Si1 .2964 .0646 .7057 .36
	Si2 .2918 .3322 .1906 .39
	O1 .1096 .1477 .1308 .52
	O2 .1223 .6838 .1786 .41
	O3 .2762 .4552 .9556 .39
	O4 .2838 .9368 .9372 .52
	O5 .1082 .1518 .6679 .43
	O6 .1216 .6312 .6400 .54
	O7 .2817 .4452 .4291 .59
	O8 .2923 .9480 .4659 .45
	O9 .5005 .2731 .2440 .62
	O10 .5013 .2315 .7553 .58
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	Kyanite
	Yang H, Downs R T, Finger L W, Hazen R M, Prewitt C T
	American Mineralogist 82 (1997) 467-474
	Compressibility and crystal structure of kyanite, Al2SiO5, at high pressure
	Sample: at P = 3.73 GPa
	7.0750 7.8027 5.5367 90.063 101.091 105.985 P-1
	atom x y z Biso
	Al1 .3241 .7034 .4560 .41
	Al2 .2985 .6994 .9524 .36
	Al3 .1001 .3866 .6413 .34
	Al4 .1124 .9176 .1652 .36
	Si1 .2959 .0650 .7054 .33
	Si2 .2919 .3321 .1910 .38
	O1 .1085 .1478 .1299 .53
	O2 .1213 .6837 .1780 .50
	O3 .2763 .4551 .9547 .43
	O4 .2838 .9366 .9376 .35
	O5 .1083 .1522 .6671 .50
	O6 .1203 .6310 .6400 .34
	O7 .2822 .4456 .4292 .48
	O8 .2925 .9479 .4657 .43
	O9 .5011 .2730 .2439 .48
	O10 .5012 .2327 .7555 .47
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	Kyanite
	Yang H, Downs R T, Finger L W, Hazen R M, Prewitt C T
	American Mineralogist 82 (1997) 467-474
	Compressibility and crystal structure of kyanite, Al2SiO5, at high pressure
	Sample: at P = 4.56 GPa
	7.0648 7.7926 5.5299 90.089 101.085 105.982 P-1
	atom x y z Biso
	Al1 .3243 .7035 .4565 .39
	Al2 .2976 .6988 .9503 .38
	Al3 .0998 .3861 .6403 .37
	Al4 .1123 .9178 .1649 .33
	Si1 .2963 .0651 .7056 .34
	Si2 .2925 .3326 .1915 .36
	O1 .1089 .1477 .1322 .44
	O2 .1209 .6825 .1780 .39
	O3 .2764 .4546 .9538 .40
	O4 .2844 .9355 .9380 .43
	O5 .1090 .1524 .6697 .40
	O6 .1209 .6309 .6401 .27
	O7 .2839 .4463 .4299 .53
	O8 .2924 .9476 .4651 .47
	O9 .5018 .2729 .2438 .43
	O10 .5013 .2339 .7559 .62
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	Reedmergnerite
	Downs R T, Yang H, Hazen R M, Finger L W, Prewitt C T
	American Mineralogist 84 (1999) 333-340
	Compressibility mechanisms of alkali feldspars: New data from reedmergnerite
	Sample from Joseph Smith #1 mine, Duchesne Co., Utah, NMNH 140
	P = 0, in air
	7.83860 12.37330 6.80740 93.31900 116.36800 92.04000 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 .258203 .007570 .133024 .004994 .003238 .011032 .000343 .002353 -.002277
	B .012136 .161728 .221577 .002665 .000759 .003908 -.000107 .001309 .000030
	Si1m .005847 .809643 .209724 .002503 .000718 .003272 .000274 .001197 .000165
	Si2o .702788 .101809 .320489 .002367 .000596 .004091 -.000003 .001143 .000029
	Si2m .684884 .864530 .354472 .002402 .000641 .003731 .000178 .001195 .000179
	O(A1) .007803 .136518 .004126 .005242 .001130 .004550 .000207 .002321 .000199
	O(A2) .593308 .981231 .275837 .002781 .000655 .006050 .000091 .001100 .000366
	O(B)o .844947 .098941 .211170 .004927 .001207 .008694 -.000732 .004315 -.000545
	O(B)m .816291 .834850 .233509 .004319 .001681 .008045 .000557 .003641 .000347
	O(C)o .006614 .276454 .273598 .003832 .000859 .007981 -.000161 .003015 -.000191
	O(C)m .028745 .679571 .206233 .003962 .000918 .006327 .000628 .001157 .000208
	O(D)o .190273 .118399 .382777 .004384 .001668 .004108 .000990 .001039 .000160
	O(D)m .192181 .867803 .417224 .004238 .001476 .004537 -.000219 .000711 -.000116
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	Reedmergnerite
	Downs R T, Yang H, Hazen R M, Finger L W, Prewitt C T
	American Mineralogist 84 (1999) 333-340
	Compressibility mechanisms of alkali feldspars: New data from reedmergnerite
	Sample from Joseph Smith #1 mine, Duchesne Co., Utah, NMNH 140
	P = 0.00 GPa, in cell
	7.8389 12.3715 6.8065 93.311 116.363 92.043 C-1
	atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Na .25866 .00757 .13442 .005139 .003374 .006909 .000735 .001631 -.000999
	B .01340 .16114 .22209 .53
	Si1m .00624 .80987 .20976 .53
	Si2o .70291 .10201 .32052 .50
	Si2m .68571 .86460 .35660 .49
	O(A1) .00705 .13697 .00166 .84
	O(A2) .59274 .98109 .27505 .60
	O(B)o .84479 .09912 .21180 .85
	O(B)m .81586 .83462 .23184 .96
	O(C)o .00621 .27687 .27265 .64
	O(C)m .02949 .67977 .20669 .76
	O(D)o .19037 .11875 .38274 .98
	O(D)m .19072 .86760 .41510 1.03
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	Reedmergnerite
	Downs R T, Yang H, Hazen R M, Finger L W, Prewitt C T
	American Mineralogist 84 (1999) 333-340
	Compressibility mechanisms of alkali feldspars: New data from reedmergnerite
	Sample from Joseph Smith #1 mine, Duchesne Co., Utah, NMNH 140
	P = 0.88 GPa
	7.7852 12.3419 6.7917 93.332 116.347 92.094 C-1
	atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Na .257191 .008039 .131522 .00608 .00308 .01286 .00066 .00407 -.001590
	B .013665 .160563 .222208 .65
	Si1m .005359 .809869 .208540 .60
	Si2o .702294 .101146 .321555 .55
	Si2m .682768 .863989 .355133 .49
	O(A1) .006014 .136224 .000632 .87
	O(A2) .589366 .980622 .275580 .65
	O(B)o .845638 .095986 .213191 .81
	O(B)m .814823 .835100 .233778 1.01
	O(C)o .003261 .275582 .272082 .68
	O(C)m .028764 .679701 .204011 .85
	O(D)o .192525 .119462 .382786 1.06
	O(D)m .190407 .867657 .412472 1.12
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	Reedmergnerite
	Downs R T, Yang H, Hazen R M, Finger L W, Prewitt C T
	American Mineralogist 84 (1999) 333-340
	Compressibility mechanisms of alkali feldspars: New data from reedmergnerite
	Sample from Joseph Smith #1 mine, Duchesne Co., Utah, NMNH 140
	P = 1.89 GPa
	7.7231 12.3038 6.7719 93.364 116.316 92.145 C-1
	atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Na .256007 .008238 .130880 .00621 .00294 .01495 .00048 .00478 -.00211
	B .011833 .159645 .218587 .6
	Si1m .005236 .809963 .208893 .56
	Si2o .701038 .100160 .321127 .52
	Si2m .679848 .863324 .354838 .49
	O(A1) .007518 .135041 .002780 .79
	O(A2) .583343 .979410 .269840 .51
	O(B)o .845831 .092623 .211736 .77
	O(B)m .811704 .834473 .230657 .92
	O(C)o -.000956 .274104 .271487 .73
	O(C)m .027516 .679251 .200578 .81
	O(D)o .195249 .120202 .383200 .97
	O(D)m .192656 .868610 .414724 1.14
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	Reedmergnerite
	Downs R T, Yang H, Hazen R M, Finger L W, Prewitt C T
	American Mineralogist 84 (1999) 333-340
	Compressibility mechanisms of alkali feldspars: New data from reedmergnerite
	Sample from Joseph Smith #1 mine, Duchesne Co., Utah, NMNH 140
	P = 3.00 GPa
	7.6589 12.2675 6.7512 93.374 116.256 92.222 C-1
	atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Na .254374 .008769 .128849 .00658 .00283 .01729 .00096 .00589 -.00121
	B .012769 .158859 .222044 .58
	Si1m .005232 .810082 .208523 .56
	Si2o .699215 .099025 .319224 .53
	Si2m .676047 .862364 .353928 .54
	O(A1) .008001 .134997 .004191 .87
	O(A2) .581581 .979951 .274584 .51
	O(B)o .848203 .089755 .216070 .78
	O(B)m .810335 .833451 .229191 .95
	O(C)o -.005648 .272837 .270184 .65
	O(C)m .026831 .679024 .200100 .91
	O(D)o .198086 .121144 .383188 1.02
	O(D)m .195121 .868926 .417785 1.12
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	Reedmergnerite
	Downs R T, Yang H, Hazen R M, Finger L W, Prewitt C T
	American Mineralogist 84 (1999) 333-340
	Compressibility mechanisms of alkali feldspars: New data from reedmergnerite
	Sample from Joseph Smith #1 mine, Duchesne Co., Utah, NMNH 140
	P = 3.64 GPa
	7.6194 12.2465 6.7389 93.392 116.222 92.263 C-1
	atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Na .254129 .008965 .129957 .00674 .00298 .01595 .00087 .00514 -.00133
	B .011828 .158118 .220194 .56
	Si1m .004593 .810089 .207102 .61
	Si2o .699207 .098570 .320676 .61
	Si2m .673758 .861752 .352903 .61
	O(A1) .005326 .133968 .999846 .83
	O(A2) .578476 .978808 .271898 .71
	O(B)o .848591 .087720 .217107 .87
	O(B)m .811086 .833418 .233406 .92
	O(C)o -.007471 .272235 .272288 .70
	O(C)m .026856 .678775 .198746 .97
	O(D)o .200226 .121600 .383605 1.05
	O(D)m .194992 .869007 .414806 1.09
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	Reedmergnerite
	Downs R T, Yang H, Hazen R M, Finger L W, Prewitt C T
	American Mineralogist 84 (1999) 333-340
	Compressibility mechanisms of alkali feldspars: New data from reedmergnerite
	Sample from Joseph Smith #1 mine, Duchesne Co., Utah, NMNH 140
	P = 4.68 GPa
	7.5790 12.2200 6.7141 93.373 116.303 92.345 C-1
	atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Na .253368 .009631 .127961 .00592 .00253 .01468 .00009 .00458 -.00257
	B .012855 .156589 .219688 .549
	Si1m .005519 .809759 .209219 .565
	Si2o .698555 .097933 .319925 .505
	Si2m .671488 .861053 .351654 .523
	O(A1) .006347 .133283 .003218 .830
	O(A2) .574766 .978268 .268754 .618
	O(B)o .848393 .085455 .216430 .783
	O(B)m .809339 .832534 .229547 .909
	O(C)o -.011615 .271404 .269653 .695
	O(C)m .026480 .678608 .193596 .798
	O(D)o .201787 .122264 .382683 .921
	O(D)m .194511 .869071 .413515 1.04
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	Katoite
	Lager G A, Downs R T, Origlieri M J, Garoutte R
	American Mineralogist 87 (2002) 642-647
	High-pressure single-crystal X-ray diffraction study of katoite hydrogarnet:
	Evidence for a phase transition from Ia-3d - I-43d symmetry at 5 GPa
	Sample: P = 0
	12.5731 12.5731 12.5731 90 90 90 Ia-3d
	atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Ca .125 0 .25 .0021 .00151 .00151 0 0 .0000
	Al 0 0 0 .00138 .00138 .00138 -.0000 -.0000 -.0000
	SiT .375 0 .25 0
	OH .0285 .0522 .6402 .0026 .0020 .0016 -.0001 .0001 -.0002
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Katoite
	Lager G A, Downs R T, Origlieri M J, Garoutte R
	American Mineralogist 87 (2002) 642-647
	High-pressure single-crystal X-ray diffraction study of katoite hydrogarnet:
	Evidence for a phase transition from Ia-3d - I-43d symmetry at 5 GPa
	Sample: P = 2.15 GPa
	12.4286 12.4286 12.4286 90 90 90 Ia-3d
	atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Ca .125 0 .25 .0021 .00125 .00125 0 0 .0001
	Al 0 0 0 .00133 .00133 .00133 .0001 .0001 .0001
	SiT .375 0 .25 0
	OH .0289 .0530 .6410 .0023 .0022 .0013 -.0004 -.0001 -.0002
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Katoite
	Lager G A, Downs R T, Origlieri M J, Garoutte R
	American Mineralogist 87 (2002) 642-647
	High-pressure single-crystal X-ray diffraction study of katoite hydrogarnet:
	Evidence for a phase transition from Ia-3d - I-43d symmetry at 5 GPa
	Sample: P = 4.21 GPa
	12.3094 12.3094 12.3094 90 90 90 Ia-3d
	atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Ca .125 0 .25 .0027 .00148 .00148 0 0 .0002
	Al 0 0 0 .00144 .00144 .00144 .0000 .0000 .0000
	SiT .375 0 .25 0
	OH .0299 .0529 .6414 .0025 .0019 .0016 -.0003 -.0002 -.0003
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Katoite
	Lager G A, Downs R T, Origlieri M J, Garoutte R
	American Mineralogist 87 (2002) 642-647
	High-pressure single-crystal X-ray diffraction study of katoite hydrogarnet:
	Evidence for a phase transition from Ia-3d - I-43d symmetry at 5 GPa
	Sample: P = 5.09 GPa
	12.2595 12.2595 12.2595 90 90 90 Ia-3d
	atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Ca .125 0 .25 .0034 .00163 .00163 0 0 -.0001
	Al 0 0 0 .00172 .00172 .00172 .0001 .0001 .0001
	SiT .375 0 .25 0
	OH .0306 .0528 .6421 .0028 .0023 .0020 -.0003 -.0005 -.0003
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Katoite
	Lager G A, Downs R T, Origlieri M J, Garoutte R
	American Mineralogist 87 (2002) 642-647
	High-pressure single-crystal X-ray diffraction study of katoite hydrogarnet:
	Evidence for a phase transition from Ia-3d - I-43d symmetry at 5 GPa
	Sample: P = 6.00 GPa
	12.2145 12.2145 12.2145 90 90 90 Ia-3d
	atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Ca .125 0 .25 .0040 .0015 .0015 0 0 -.0004
	Al 0 0 0 .0019 .0019 .0019 .0002 .0002 .0002
	SiT .375 0 .25 0
	OH .0310 .0527 .6423 .0026 .0022 .0019 -.0005 .0002 -.0004
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Katoite
	Lager G A, Downs R T, Origlieri