Mullite
	Angel R J, Prewitt C T
	American Mineralogist 71 (1986) 1476-1482
	Crystal structure of mullite: A re-examination of the average structure
	_database_code_amcsd 0001059
	7.5785 7.6817 2.8864 90 90 90 Pbam
	atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Al 0 0 0 .00311 .00266 .01660 .00023 0 0
	AlT .14901 .34026 .5 .56 .00255 .00310 .02206 -.00016 0 0
	SiT .14901 .34026 .5 .25 .00255 .00310 .02206 -.00016 0 0
	AlT* .26247 .20529 .5 .13 .00248 .00326 .01628 .00012 0 0
	SiT* .26247 .20529 .5 .06 .00248 .00326 .01628 .00012 0 0
	Oab .3590 .4218 .5 .0049 .0063 .0176 -.0024 0 0
	Oc .5 0 .5 .39 .0061 .0052 .0609 -.0012 0 0
	Oc* .4498 .0505 .5 .19 .0039 .0026 .0386 -.0003 0 0
	Od .1273 .2186 0 .0053 .0045 .0308 -.0022 0 0
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	Anorthite
	Angel R J
	American Mineralogist 73 (1988) 1114-1119
	High-pressure structure of anorthite
	Sample: P = 1 bar
	_database_code_amcsd 0001194
	8.175 12.873 14.170 93.11 115.89 91.28 I-1
	atom x y z Biso
	Caooo .2644 .9860 .0864 1.08
	Cazoo .2687 .0323 .5435 .16
	Caoio .7738 .5360 .5416 .60
	Cazio .7632 .5038 .0754 1.17
	Si1oo .0077 .1574 .1042 .49
	Al1oz .0026 .1635 .6123 .46
	Al1mo -.0007 .8145 .1198 .54
	Si1mz .0052 .8178 .6117 .52
	Al2oo .6884 .1125 .1596 .69
	Si2oz .6763 .1050 .6568 .64
	Si2mo .6752 .8810 .1806 .64
	Al2mz .6838 .8746 .6771 .49
	Oa1o .0072 .1239 -.0086 1.31
	Oa1z .9987 .1251 .4905 1.44
	Oa2o .5739 .9891 .1392 .78
	Oa2z .5723 .9906 .6380 .69
	Oboo .8250 .0984 .0928 1.27
	Oboz .7986 .1000 .5927 1.41
	Obmo .8066 .8551 .1266 1.9
	Obmz .8274 .8548 .6182 1.9
	Ocoo .0116 .2778 .1344 .84
	Ocoz .0129 .2938 .6481 .96
	Ocmo .0088 .6794 .1075 .71
	Ocmz .0075 .6921 .5995 .87
	Odoo .1904 .1066 .1854 1.17
	Odoz .2029 .1035 .6929 1.53
	Odmo .1979 .8692 .2213 1.8
	Odmz .1871 .8634 .7086 2.4
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	Anorthite
	Angel R J
	American Mineralogist 73 (1988) 1114-1119
	High-pressure structure of anorthite
	Sample: P = 25 kbar
	_database_code_amcsd 0001195
	8.082 12.767 14.032 92.79 115.77 91.68 I-1
	atom x y z Biso
	Caooo .263 .987 .0862 .6
	Cazoo .264 .028 .5422 .2
	Caoio .774 .539 .5407 .8
	Cazio .759 .506 .0742 .4
	Si1oo .0096 .1569 .1032 .4
	Al1oz -.0011 .1641 .6132 .4
	Al1mo -.002 .8120 .1189 .6
	Si1mz .0043 .8180 .6120 .5
	Al2oo .691 .114 .1634 .6
	Si2oz .6688 .101 .6527 .8
	Si2mo .671 .8807 .1819 .6
	Al2mz .679 .8722 .6743 .5
	Oa1o .013 .118 -.007 1.4
	Oa1z -.007 .128 .488 1.2
	Oa2o .568 .989 .137 .8
	Oa2z .571 .988 .641 .2
	Oboo .824 .092 .092 1.6
	Oboz .802 .103 .595 1.8
	Obmo .812 .855 .128 1.9
	Obmz .816 .853 .615 2.4
	Ocoo .008 .273 .135 1.1
	Ocoz .006 .294 .648 .6
	Ocmo .009 .681 .108 .8
	Ocmz .003 .690 .599 1.1
	Odoo .187 .100 .183 1.6
	Odoz .206 .108 .692 1.9
	Odmo .187 .865 .223 2.8
	Odmz .198 .868 .708 2.9
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	Anorthite
	Angel R J
	American Mineralogist 73 (1988) 1114-1119
	High-pressure structure of anorthite
	Sample: P = 31 kbar
	_database_code_amcsd 0001196
	8.042 12.748 13.964 92.20 115.27 92.65 I-1
	atom x y z Biso
	Caooo .2682 .0348 .0401 .44
	Cazoo .2653 .0055 .5767 .80
	Si1oo .0050 .1565 .1033 .32
	Al1oz .9966 .1601 .6136 .6
	Al1mo .9988 .8106 .1209 .4
	Si1mz .0036 .8163 .6111 .63
	Al2oo .6862 .1108 .1673 .39
	Si2oz .6700 .1027 .6498 .39
	Si2mo .6685 .8789 .1739 .38
	Al2mz .6815 .8731 .6842 .5
	Oa1o .982 .126 .9838 .4
	Oa1z .023 .126 .4966 .4
	Oa2o .564 .985 .1346 .4
	Oa2z .574 .991 .6454 .3
	Oboo .833 .092 .1071 .7
	Oboz .782 .097 .5762 .4
	Obmo .787 .858 .1081 .3
	Obmz .840 .848 .6372 .6
	Ocoo .006 .282 .135 1.1
	Ocoz .015 .288 .6534 .9
	Ocmo .996 .676 .1061 .9
	Ocmz .006 .691 .601 1.0
	Odoo .201 .110 .1750 .7
	Odoz .188 .094 .6974 .5
	Odmo .179 .862 .234 1.2
	Odmz .207 .868 .698 .9
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	MgSiO3
	Angel R J, Finger L W, Hazen R M, Kanzaki M, Weidner D J, Liebermann R C, Veblen D R
	American Mineralogist 74 (1989) 509-512
	Structure and twinning of single-crystal MgSiO3 garnet synthesized at 17 GPa and 1800 C
	Note: majoritic or majorite-like
	_database_code_amcsd 0001231
	11.501 11.501 11.480 90 90 90 *I4_1/a
	.5 .25 .125
	atom x y z occ Biso
	MgD1 .1253 .0112 .2587 1.33
	MgD2 0 .25 .6258 1.54
	MgOc1 0 0 .5 .8 .22
	SiOc1 0 0 .5 .2 .22
	MgOc2 0 0 0 .2 .22
	SiOc2 0 0 0 .8 .22
	SiT1 0 .25 .3750 1.03
	SiT2 0 .25 .8750 .37
	SiT3 .1249 .0065 .7544 .53
	O1 .0282 .0550 .6633 .88
	O2 .0380 -.0471 .8562 1.31
	O3 .2195 .1023 .8021 1.28
	O4 .2150 -.0894 .7000 .99
	O5 -.0588 .1617 .4680 .89
	O6 -.1040 .2080 .7851 1.01
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	Enstatite
	Angel R J, Gasparik T, Finger L W
	American Mineralogist 74 (1989) 599-603
	Crystal structure of a Cr-bearing pyroxene
	Sample: Mg1.4Cr.6Si2O6
	_database_code_amcsd 0001244
	9.713 8.910 5.238 90 109.41 90 P2_1/c
	atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Mg1 .2506 .6537 .2253 .946 0.0019 0.0021 0.0034 .0001 .0004 .0008
	Cr1 .2506 .6537 .2253 .054 0.0019 0.0021 0.0034 .0001 .0004 .0008
	Mg2 .2528 .0162 .2209 .479 0.0019 0.0019 0.0044 .0005 .0003 .0002
	Cr2 .2528 .0162 .2209 .521 0.0019 0.0019 0.0044 .0005 .0003 .0002
	SiA .0456 .3387 .2891 .983 0.0020 0.0020 0.0040 -.0003 .0011 .0001
	CrA .0456 .3387 .2891 .017 0.0020 0.0020 0.0040 -.0003 .0011 .0001
	SiB .5493 .8381 .2437 .981 0.0012 0.0017 0.0043 .0002 .0002 .0002
	CrB .5493 .8381 .2437 .019 0.0012 0.0017 0.0043 .0002 .0002 .0002
	O1A .8694 .3347 .1748 0.0020 0.0030 0.005 .0008 .0004 .001
	O2A .1226 .4984 .3269 0.0024 0.0011 0.006 -.0007 .0016 -.001
	O3A .1092 .2753 .6055 0.0021 0.0020 0.002 -.0007 -.0002 .0012
	O1B .3726 .8399 .1336 0.0009 0.0023 0.003 -.0006 .0000 .000
	O2B .6321 .9871 .3820 0.0034 0.0017 0.008 -.0010 .0034 -.001
	O3B .6021 .7066 .4834 0.0013 0.0025 0.003 .0000 -.0015 .0013
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	Anorthite
	Angel R J, Carpenter M A, Finger L W
	American Mineralogist 75 (1990) 150-162
	Structural variation associated with compositional variation and order-disorder
	behavior in anorthite-rich feldspars
	sample from Val Pasmeda
	_database_code_amcsd 0001286
	8.175 12.873 14.170 93.11 115.89 91.28 P-1
	atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Si1ooo .00904 .15894 .10386 .00200 .00083 .00077 -.00035 .00049 -.00003
	Si1ooi .50665 .65605 .60445 .00292 .00087 .00092 -.00022 .00070 .00003
	Al1ozo .00690 .16089 .61115 .00258 .00085 .00093 .00016 .00077 .00021
	Al1ozi .49879 .66603 .11286 .00344 .00090 .00064 .00006 .00079 -.00001
	Al1moo .99092 .81531 .11757 .00186 .00113 .00083 .00019 .00057 .00009
	Al1moi .50825 .31457 .62136 .00247 .00075 .00072 .00045 .00035 .00003
	Si1mzo .00575 .81526 .61320 .00255 .00108 .00054 .00009 .00033 .00003
	Si1mzi .50496 .32029 .11026 .00303 .00095 .00086 .00036 .00085 .00004
	Al2ooo .68435 .11315 .15122 .00234 .00091 .00083 -.00003 .00045 -.00007
	Al2ooi .19100 .61115 .66770 .00223 .00082 .00091 -.00016 .00050 .00007
	Si2ozo .68169 .10345 .66468 .00198 .00073 .00089 .00018 .00037 -.00003
	Si2ozi .17068 .60668 .14905 .00221 .00076 .00097 -.00019 .00048 .00006
	Si2moo .67389 .88291 .18770 .00268 .00095 .00081 .00015 .00069 .00003
	Si2moi .17613 .37932 .67334 .00225 .00068 .00090 .00016 .00059 .00002
	Al2mzo .68138 .87158 .67242 .00245 .00072 .00085 .00029 .00045 .00009
	Al2mzi .18553 .37759 .18164 .00200 .00065 .00089 .00019 .00035 .00014
	Caooo .26523 .98609 .08693 .00327 .00297 .00157 -.00017 .00086 -.00079
	Cazoo .26832 .03126 .54304 .00303 .00159 .00118 .00060 .00056 -.00003
	Caoio .77351 .53587 .54123 .00277 .00150 .00119 .00054 .00039 -.00019
	Cazio .76369 .50512 .07510 .00228 .00314 .00231 .00071 .00034 -.00147
	Oa1oo .02635 .12457 -.00428 .00535 .00122 .00093 .00008 .00157 .00009
	Oa1oi .48603 .62359 .48586 .00506 .00142 .00059 .00049 .00078 .00013
	Oa1zo .98113 .12562 .48359 .00443 .00120 .00095 .00054 .00128 .00020
	Oa1zi .51786 .62378 .99651 .00443 .00137 .00093 .00010 .00076 .00016
	Oa2oo .57574 .99057 .14338 .00204 .00060 .00155 .00072 .00018 .00044
	Oa2oi .07210 .48813 .63456 .00255 .00066 .00169 .00000 .00088 .00009
	Oa2zo .57228 .98916 .63698 .00248 .00074 .00152 .00041 -.00002 .00018
	Oa2zi .07158 .49243 .13830 .00294 .00045 .00208 -.00039 .00156 .00002
	Obooo .81332 .10161 .07982 .00361 .00127 .00106 -.00045 .00071 -.00014
	Obooi .33309 .59521 .60532 .00333 .00125 .00150 -.00011 .00148 -.00008
	Obozo .81173 .09671 .60573 .00340 .00138 .00100 -.00123 .00078 -.00023
	Obozi .28569 .60336 .07915 .00439 .00140 .00184 -.00024 .00184 -.00018
	Obmoo .81766 .85491 .14437 .00305 .00273 .00206 .00112 .00174 .00000
	Obmoi .29842 .35545 .61105 .00385 .00132 .00119 .00050 .00107 .00008
	Obmzo .81051 .85210 .60254 .00273 .00164 .00146 .00031 .00087 .00033
	Obmzi .34213 .35770 .13423 .00516 .00217 .00218 .00091 .00197 -.00016
	Ocooo .01512 .27924 .13539 .00612 .00094 .00199 -.00025 .00198 .00003
	Ocooi .50954 .77721 .63499 .00281 .00137 .00163 -.00029 .00096 -.00026
	Ocozo .02009 .28987 .64767 .00578 .00113 .00194 -.00025 .00189 -.00013
	Ocozi .50873 .79649 .14990 .00397 .00089 .00163 -.00029 .00102 -.00005
	Ocmoo .00000 .67999 .10383 .00196 .00144 .00136 .00032 .00028 -.00018
	Ocmoi .51681 .17933 .61037 .00426 .00034 .00137 -.00011 .00043 -.00005
	Ocmzo .00842 .68854 .60059 .00337 .00113 .00093 .00045 .00051 .00028
	Ocmzi .50708 .19585 .09759 .00464 .00066 .00194 .00033 .00067 -.00014
	Odooo .18316 .10620 .19221 .00386 .00168 .00080 .00082 .00038 -.00003
	Odooi .70057 .60747 .67826 .00240 .00213 .00107 .00026 .00007 .00004
	Odozo .21355 .10335 .68352 .00306 .00117 .00094 .00017 .00024 -.00009
	Odozi .68942 .60354 .20053 .00356 .00149 .00080 .00055 -.00004 .00034
	Odmoo .20373 .87344 .20979 .00209 .00177 .00061 .00005 -.00032 -.00015
	Odmoi .68899 .36361 .73272 .00472 .00167 .00119 .00029 -.00042 .00011
	Odmzo .17272 .85643 .71921 .00491 .00192 .00069 -.00040 -.00037 -.00030
	Odmzi .70014 .37048 .19680 .00446 .00159 .00073 .00013 .00016 -.00012
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	Anorthite
	Angel R J, Carpenter M A, Finger L W
	American Mineralogist 75 (1990) 150-162
	Structural variation associated with compositional variation and order-disorder
	behavior in anorthite-rich feldspars
	sample from Monte Somma
	_database_code_amcsd 0001287
	8.1796 12.8747 14.172 93.134 115.885 91.236 P-1
	atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Si1ooo .00943 .15921 .10431 .00239 .00070 .00096 .00023 .00112 .00007
	Si1ooi .50642 .65607 .60405 .00205 .00074 .00041 -.00034 .00019 .00001
	Al1ozo .00686 .16144 .61159 .00204 .00050 .00110 -.00006 .00131 -.00008
	Al1ozi .49873 .66584 .11241 .00158 .00104 .00023 -.00011 -.00018 .00001
	Al1moo .99183 .81512 .11768 .00185 .00102 .00054 .00000 .00056 -.00001
	Al1moi .50729 .31446 .62106 .00189 .00049 .00060 .00041 .00038 .00000
	Si1mzo .00562 .81555 .61318 .00236 .00091 .00048 .00036 .00048 .00014
	Si1mzi .50475 .31999 .11010 .00195 .00061 .00065 .00061 .00048 -.00001
	Al2ooo .68550 .11328 .15213 .00252 .00065 .00076 -.00004 .00048 -.00002
	Al2ooi .19092 .61128 .66670 .00130 .00066 .00075 .00028 .00045 .00003
	Si2ozo .68167 .10381 .66452 .00184 .00058 .00080 -.00009 .00020 .00003
	Si2ozi .17104 .60662 .14988 .00103 .00066 .00073 -.00014 .00034 -.00014
	Si2moo .67387 .88314 .18747 .00140 .00061 .00083 .00033 .00067 .00000
	Si2moi .17684 .37946 .67384 .00153 .00052 .00066 .00027 .00049 -.00002
	Al2mzo .68135 .87236 .67340 .00220 .00082 .00067 .00032 -.00003 .00019
	Al2mzi .18644 .37727 .18105 .00149 .0007 .00078 .00011 .0007 .00007
	Caooo .2659 .9867 .0864 .0026 .0031 .0015 -.0002 .0007 -.0008
	Cazoo .2683 .0310 .5432 .0027 .0019 .0013 .0008 .0006 -.0002
	Caoio .7736 .5353 .5421 .0019 .0014 .0012 .0005 .0002 -.0003
	Cazio .7639 .5073 .0726 .0016 .0041 .0028 .0009 -.0002 -.0027
	Oa1oo .0242 .1242 -.0051 .0050 .0013 .0011 .0002 .0015 .0002
	Oa1oi .4912 .6251 .4870 .0020 .0015 .0004 .0003 .0003 -.0001
	Oa1zo .9797 .1252 .4832 .0050 .0007 .0011 .0009 .0012 .0003
	Oa1zi .5176 .6249 .9968 .0030 .0015 .0002 -.0008 .0005 -.0003
	Oa2oo .5760 .9902 .1426 .0020 .0002 .0012 .0005 .0003 .0004
	Oa2oi .0730 .4881 .6345 .0010 .0012 .0014 -.0006 -.0003 -.0002
	Oa2zo .5728 .9893 .6373 .0020 .0003 .0014 .0012 .0004 .0005
	Oa2zi .0726 .4924 .1391 .0020 .0012 .0018 .0007 .0010 .0000
	Obooo .8143 .1011 .0803 .0040 .0011 .0013 -.0003 .0011 -.0005
	Obooi .3305 .5964 .6034 .0050 .0009 .0018 .0000 .0026 -.0002
	Obozo .8120 .0975 .6058 .0020 .0010 .0012 -.0004 .0010 -.0005
	Obozi .2871 .6039 .0811 .0026 .0016 .0016 -.0008 .0015 -.0001
	Obmoo .8171 .8548 .1424 .0040 .0019 .0028 -.0001 .0034 -.0003
	Obmoi .2984 .3563 .6116 .0050 .0015 .0013 .0004 .0018 -.0004
	Obmzo .8111 .8523 .6041 .0020 .0017 .0012 .0013 .0014 .0006
	Obmzi .3414 .3582 .1323 .0050 .0023 .0029 .0011 .0027 -.0002
	Ocooo .0164 .2801 .1368 .0050 .0007 .0016 -.0001 .0016 .0002
	Ocooi .5084 .7768 .6344 .0020 .0005 .0013 -.0012 .0002 -.0008
	Ocozo .0201 .2899 .6477 .0058 .0011 .0019 -.0002 .0019 -.0001
	Ocozi .5087 .7965 .1499 .0040 .0009 .0016 -.0003 .0010 -.0001
	Ocmoo .0000 .6800 .1038 .0020 .0014 .0014 .0003 .0003 -.0002
	Ocmoi .5168 .1793 .6104 .0043 .0003 .0014 -.0001 .0004 -.0001
	Ocmzo .0084 .6885 .6006 .0034 .0011 .0009 .0005 .0005 .0003
	Ocmzi .5071 .1959 .0976 .0046 .0007 .0019 .0003 .0007 -.0001
	Odooo .1832 .1062 .1922 .0039 .0017 .0008 .0008 .0004 .0000
	Odooi .7012 .6079 .6800 .0020 .0013 .0012 .0008 .0000 .0002
	Odozo .2136 .1025 .6840 .0050 .0018 .0005 .0003 .0010 -.0002
	Odozi .6935 .6043 .2013 .0050 .0012 .0007 .0007 .0007 .0002
	Odmoo .2038 .8732 .2108 .0020 .0014 .0010 .0001 -.0004 -.0008
	Odmoi .6900 .3636 .7317 .0050 .0022 .0011 .0001 .0000 .0000
	Odmzo .1742 .8569 .7183 .0030 .0016 .0007 -.0002 -.0013 -.0003
	Odmzi .6992 .3692 .1983 .0030 .0020 .0012 .0004 -.0004 -.0002
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	Anorthite
	Angel R J, Carpenter M A, Finger L W
	American Mineralogist 75 (1990) 150-162
	Structural variation associated with compositional variation and order-disorder
	behavior in anorthite-rich feldspars
	sample from Monte Somma
	_database_code_amcsd 0001288
	8.1796 12.8747 14.172 93.134 115.885 91.236 I-1
	atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Si1oo .0080 .1577 .1042 .0025 .0009 .0007 .0000 .0007 .0000
	Al1oz .0028 .1635 .6119 .0024 .0009 .0008 -.0002 .0007 -.0000
	Al1mo .0004 .8148 .1194 .0034 .0008 .0007 .0002 .0008 .0000
	Si1mz .0052 .8178 .6116 .0024 .0009 .0007 .0005 .0005 .0000
	Al2oo .6882 .1123 .1595 .0022 .0008 .0019 .0001 .0009 -.0001
	Si2oz .6764 .1052 .6572 .0022 .0007 .0020 -.0003 .0012 -.0003
	Si2mo .6754 .8813 .1806 .0018 .0007 .0018 .0003 .0005 .0003
	Al2mz .6838 .8749 .6772 .0021 .0009 .0011 .0004 .0005 .0003
	Caooo .2659 .9861 .0869 .0020 .0029 .0015 -.0002 .0007 -.0009
	Cazoo .2681 .0304 .5450 .0020 .0017 .0013 .0008 .0001 -.0003
	Caoio .7735 .5353 .5422 .0023 .0015 .0013 .0006 .0004 -.0002
	Cazio .7637 .5030 .0770 .0026 .0023 .0011 .0006 .0002 -.0007
	Oa1o .0071 .1244 -.0094 .0101 .0015 .0010 -.0002 .0023 -.0001
	Oa1z .0011 .1253 .4902 .0114 .0012 .0018 .0001 .0036 -.0000
	Oa2o .5743 .9893 .1391 .0016 .0009 .0016 .0001 .0003 .0003
	Oa2z .5728 -.0094 .6382 .0020 .0008 .0016 .0008 .0007 .0002
	Oboo .8226 .0988 .0922 .0053 .0010 .0047 -.0007 .0039 -.0010
	Oboz .7994 .1005 .5934 .0059 .0016 .0047 -.0015 .0044 -.0012
	Obmo .8072 .8555 .1266 .0071 .0018 .0083 .0000 .0065 -.0009
	Obmz .8247 .8553 .6170 .0081 .0022 .0060 .0022 .0062 .0012
	Ocoo .0124 .2783 .1356 .0035 .0008 .0015 -.0003 .0009 -.0003
	Ocoz .0141 .2935 .6485 .0050 .0008 .0021 -.0008 .0015 -.0004
	Ocmo .0076 .6800 .1072 .0049 .0008 .0018 .0004 .0012 .0001
	Ocmz .0083 .6921 .6001 .0038 .0013 .0012 .0004 .0004 -.0004
	Odoo .1919 .1066 .1855 .0038 .0017 .0017 .0012 -.0013 -.0000
	Odoz .2042 .1034 .6926 .0073 .0014 .0023 .0003 -.0013 .0003
	Odmo .1973 .8684 .2207 .0040 .0024 .0038 .0007 -.0019 -.0016
	Odmz .1864 .8629 .7083 .0070 .0029 .0035 .0022 -.0042 -.0020
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	Anorthite
	Angel R J, Carpenter M A, Finger L W
	American Mineralogist 75 (1990) 150-162
	Structural variation associated with compositional variation and order-disorder
	behavior in anorthite-rich feldspars
	sample #115082a
	_database_code_amcsd 0001289
	8.178 12.870 14.175 93.17 115.97 91.15 I-1
	atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Si1oo .0078 .1580 .1042 .0027 .0010 .0008 -.0001 .0008 .0001
	Al1oz .0025 .1642 .6119 .0028 .0010 .0008 -.0002 .0008 .0000
	Al1mo -.0001 .8151 .1194 .0038 .0010 .0008 .0005 .0011 .0001
	Si1mz .0054 .8176 .6120 .0029 .0010 .0008 .0005 .0007 .0001
	Al2oo .6879 .1120 .1588 .0025 .0008 .0019 .0001 .0010 .0000
	Si2oz .6765 .1054 .6577 .0026 .0009 .0018 .0000 .0012 -.0002
	Si2mo .6760 .8815 .1813 .0025 .0009 .0017 .0003 .0006 .0003
	Al2mz .6831 .8748 .6766 .0029 .0009 .0012 .0004 .0011 .0003
	Caooo .2658 .9859 .0865 .0036 .0038 .0019 -.0002 .0013 -.0011
	Cazoo .2681 .0301 .5459 .0033 .0020 .0016 .0007 .0007 -.0003
	Caoio .7737 .5350 .5429 .0034 .0020 .0015 .0009 .0007 -.0003
	Cazio .7636 .5020 .0770 .0029 .0025 .0017 .0006 .0010 -.0006
	Oa1o .0076 .1247 -.0087 .0110 .0018 .0011 .0009 .0027 .0002
	Oa1z -.0035 .1248 .4893 .0115 .0015 .0016 .0002 .0036 .0001
	Oa2o .5756 .9901 .1396 .0035 .0010 .0018 .0004 .0012 .0003
	Oa2z .5717 .9910 .6376 .0019 .0009 .0016 .0002 .0007 .0002
	Oboo .8216 .0994 .0910 .0052 .0015 .0043 -.0009 .0038 -.0007
	Oboz .7994 .1006 .5936 .0071 .0015 .0051 -.0008 .0053 -.0009
	Obmo .8088 .8549 .1282 .0061 .0021 .0074 .0005 .0052 -.0005
	Obmz .8224 .8550 .6153 .0083 .0024 .0062 .0013 .0062 .0007
	Ocoo .0120 .2787 .1353 .0051 .0009 .0021 -.0004 .0018 -.0004
	Ocoz .0144 .2941 .6484 .0045 .0013 .0019 -.0004 .0014 -.0001
	Ocmo .0076 .6799 .1073 .0047 .0010 .0016 .0008 .0011 .0002
	Ocmz .0078 .6920 .5995 .0059 .0012 .0015 .0005 .0010 .0000
	Odoo .1910 .1065 .1869 .0046 .0017 .0019 .0007 -.0004 .0002
	Odoz .2029 .1035 .6915 .0063 .0016 .0024 .0005 -.0010 .0003
	Odmo .1976 .8685 .2193 .0040 .0022 .0033 .0007 -.0018 -.0010
	Odmz .1854 .8625 .7105 .0088 .0027 .0036 .0018 -.0020 -.0013
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	Edgarbaileyite
	Angel R J, Cressey G, Criddle A J
	American Mineralogist 75 (1990) 1192-1196
	Edgarbaileyite, Hg6Si2O7: The crystal structure of the first mercury silicate
	_database_code_amcsd 0001331
	11.755 7.678 5.991 90 111.73 90 C2/m
	atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Hg1 .1140 0 .0490 1.56 0.0015 0.0102 0.0128 0 0.0019 0
	Hg2 .1155 .2423 .5789 1.42 0.0016 0.0072 0.0135 0.0002 0.0011 0.0010
	Si .6491 0 .105 1.2
	O1 .303 0 .113 1.8
	O2 .311 .168 .728 1.7
	O3 .5 0 0 0.1
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	Mullite
	Angel R J, McMullan R K, Prewitt C T
	American Mineralogist 76 (1991) 332-342
	Substructure and superstructure of mullite by neutron diffraction
	Model 1 Neutron
	_database_code_amcsd 0001351
	7.588 7.688 2.8895 90 90 90 Pbam
	atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Al 0 0 .0 0.0025 0.0017 0.0105 0.0002 0 0
	AlT .1490 .3400 .5 .55 0.0017 0.0022 0.0141 -0.0001 0 0
	SiT .1490 .3400 .5 .25 0.0017 0.0022 0.0141 -0.0001 0 0
	AlT* .2625 .2067 .5 .15 0.0017 0.0021 0.017 -0.0001 0 0
	SiT* .2625 .2067 .5 .05 0.0017 0.0021 0.017 -0.0001 0 0
	Oab .35838 .42238 .5 0.0044 0.0062 0.0111 -.00285 0 0
	Oc .5 0 .5 .40 0.0052 0.0050 0.062 -0.0013 0 0
	Oc* .4495 .0509 .5 .20 0.0026 0.0023 0.028 -0.0003 0 0
	Od .12733 .21843 0 0.0049 0.0041 0.0258 -.00232 0 0
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	Mullite
	Angel R J, McMullan R K, Prewitt C T
	American Mineralogist 76 (1991) 332-342
	Substructure and superstructure of mullite by neutron diffraction
	Model 2 X-ray
	_database_code_amcsd 0001352
	7.5785 7.6817 2.8864 90 90 90 Pbam
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Al 0 0 0 0.0024 0.0017 0.0102 0.0002 0 0
	SiT1 .148 .3455 .5 .3 0.43
	AlT2 .1502 .3362 .5 .5 0.43
	AlT* .2622 .2057 .5 .2 0.0008 0.0019 0.012 -0.0002 0 0
	Oab1 .3591 .4110 .5 .3 0.41
	Oab2 .3509 .4356 .5 .5 0.41
	Oab* .3791 .4039 .5 .2 0.41
	Oc .5 0 .5 .4 0.0049 0.0043 0.063 -0.0006 0 0
	Oc* .4501 .0502 .5 .2 0.0021 0.0016 0.029 -0.0003 0 0
	Od .1188 .2259 .024 .3 0.51
	Od* .1409 .2067 .020 .2 0.51
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	Enstatite
	Hugh-Jones D A, Angel R J
	American Mineralogist 79 (1994) 405-410
	A compressional study of MgSiO3 orthoenstatite up to 8.5 GPa
	Sample: P = 0 GPa
	_database_code_amcsd 0001644
	18.233 8.8191 5.1802 90 90 90 Pbca
	atom x y z Biso
	Mg1 .3763 .6541 .8663 .67
	Mg2 .3769 .4872 .3589 .82
	SiA .2715 .3418 .0506 .58
	SiB .4736 .3374 .7981 .59
	O1a .1835 .3407 .034 .64
	O2a .3114 .5029 .043 .61
	O3a .3025 .2224 .832 .43
	O1b .5622 .3414 .798 .95
	O2b .4324 .4836 .690 .57
	O3b .4483 .1951 .603 .57
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	Enstatite
	Hugh-Jones D A, Angel R J
	American Mineralogist 79 (1994) 405-410
	A compressional study of MgSiO3 orthoenstatite up to 8.5 GPa
	Sample: P = 1.04 GPa
	_database_code_amcsd 0001645
	18.186 8.782 5.1610 90 90 90 Pbca
	atom x y z Biso
	Mg1 .3768 .6545 .8627 .51
	Mg2 .3770 .4860 .3556 .64
	SiA .2716 .3421 .0482 .49
	SiB .4737 .3365 .7997 .41
	O1a .1823 .338 .032 .87
	O2a .3111 .504 .043 .59
	O3a .3030 .223 .829 .18
	O1b .5627 .340 .800 .63
	O2b .4315 .483 .686 .37
	O3b .4472 .194 .607 .52
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	Enstatite
	Hugh-Jones D A, Angel R J
	American Mineralogist 79 (1994) 405-410
	A compressional study of MgSiO3 orthoenstatite up to 8.5 GPa
	Sample: P = 1.95 GPa
	_database_code_amcsd 0001646
	18.148 8.756 5.1493 90 90 90 Pbca
	atom x y z Biso
	Mg1 .3760 .6556 .862 .24
	Mg2 .3768 .4843 .355 .54
	SiA .2707 .3436 .046 .22
	SiB .4732 .3359 .8013 .21
	O1a .1826 .342 .031 .23
	O2a .3094 .507 .040 .16
	O3a .3038 .223 .825 .12
	O1b .5622 .340 .804 .38
	O2b .4327 .483 .691 .22
	O3b .4482 .193 .611 .23
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	Enstatite
	Hugh-Jones D A, Angel R J
	American Mineralogist 79 (1994) 405-410
	A compressional study of MgSiO3 orthoenstatite up to 8.5 GPa
	Sample: P = 3.27 GPa
	_database_code_amcsd 0001647
	18.1045 8.7181 5.1327 90 90 90 Pbca
	atom x y z Biso
	Mg1 .3762 .6557 .8598 .39
	Mg2 .3774 .4856 .3532 .63
	SiA .2715 .3429 .0447 .34
	SiB .4729 .3377 .8015 .33
	O1a .1824 .3397 .027 .34
	O2a .3097 .5070 .037 .46
	O3a .3035 .2223 .825 .51
	O1b .5620 .3402 .807 .58
	O2b .4322 .4837 .687 .18
	O3b .4464 .1921 .612 .42
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	Enstatite
	Hugh-Jones D A, Angel R J
	American Mineralogist 79 (1994) 405-410
	A compressional study of MgSiO3 orthoenstatite up to 8.5 GPa
	Sample: P = 4.09 GPa
	_database_code_amcsd 0001648
	18.0710 8.6929 5.1214 90 90 90 Pbca
	atom x y z Biso
	Mg1 .3758 .6557 .8596 .36
	Mg2 .3774 .4844 .3512 .45
	SiA .2708 .3438 .0433 .24
	SiB .4727 .3368 .8021 .24
	O1a .1828 .339 .023 .25
	O2a .3097 .507 .039 .31
	O3a .3034 .224 .825 .21
	O1b .5621 .340 .804 .72
	O2b .4323 .483 .690 .30
	O3b .4472 .192 .612 .05
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	Enstatite
	Hugh-Jones D A, Angel R J
	American Mineralogist 79 (1994) 405-410
	A compressional study of MgSiO3 orthoenstatite up to 8.5 GPa
	Sample: P = 4.95 GPa
	_database_code_amcsd 0001649
	18.0455 8.6708 5.1119 90 90 90 Pbca
	atom x y z Biso
	Mg1 .3760 .6552 .859 .28
	Mg2 .3774 .4848 .350 .51
	SiA .2705 .3432 .041 .32
	SiB .4728 .3383 .8022 .15
	O1a .1827 .339 .024 .33
	O2a .3085 .508 .035 .09
	O3a .3042 .223 .826 .11
	O1b .5611 .340 .805 .34
	O2b .4325 .484 .685 .34
	O3b .4470 .190 .613 .07
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	Enstatite
	Hugh-Jones D A, Angel R J
	American Mineralogist 79 (1994) 405-410
	A compressional study of MgSiO3 orthoenstatite up to 8.5 GPa
	Sample: P = 5.85 GPa
	_database_code_amcsd 0001650
	18.011 8.652 5.102 90 90 90 Pbca
	atom x y z Biso
	Mg1 .3763 .6576 .8569 .51
	Mg2 .3772 .4837 .3489 .40
	SiA .2710 .3436 .0414 .27
	SiB .4727 .3368 .8032 .28
	O1a .1821 .344 .024 .23
	O2a .3098 .508 .032 .61
	O3a .3034 .222 .820 .02
	O1b .5613 .338 .811 .52
	O2b .4324 .485 .686 .20
	O3b .4460 .190 .613 .20
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	Enstatite
	Hugh-Jones D A, Angel R J
	American Mineralogist 79 (1994) 405-410
	A compressional study of MgSiO3 orthoenstatite up to 8.5 GPa
	Sample: P = 7.00 GPa
	_database_code_amcsd 0001651
	17.983 8.6241 5.0902 90 90 90 Pbca
	atom x y z Biso
	Mg1 .3762 .6560 .8567 .33
	Mg2 .3775 .4845 .3472 .47
	SiA .2711 .3431 .0399 .32
	SiB .4725 .3373 .8031 .26
	O1a .1828 .340 .021 .41
	O2a .3088 .509 .033 .48
	O3a .3044 .223 .817 .30
	O1b .5627 .336 .812 .55
	O2b .4330 .485 .686 .16
	O3b .4479 .190 .613 .19
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	Enstatite
	Hugh-Jones D A, Angel R J
	American Mineralogist 79 (1994) 405-410
	A compressional study of MgSiO3 orthoenstatite up to 8.5 GPa
	Sample: P = 8.10 GPa
	_database_code_amcsd 0001652
	17.950 8.604 5.080 90 90 90 Pbca
	atom x y z Biso
	Mg1 .3766 .6589 .8558 .56
	Mg2 .3774 .4834 .3462 .51
	SiA .2704 .3436 .0385 .27
	SiB .4730 .3383 .8042 .28
	O1a .1814 .344 .022 .27
	O2a .3082 .509 .031 .41
	O3a .3036 .222 .820 .62
	O1b .5602 .340 .812 .56
	O2b .4330 .486 .682 .19
	O3b .4451 .191 .615 .10
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	Clinoferrosilite
	Hugh-Jones D A, Woodland A B, Angel R J
	American Mineralogist 79 (1994) 1032-1041
	The structure of high-pressure C2/c ferrosilite and crystal chemistry of
	high-pressure C2/c pyroxenes
	P = room pressure
	_database_code_amcsd 0001679
	9.7075 9.0807 5.2347 90 108.46 90 P2_1/c
	atom x y z Biso
	Fe1 .2512 .6538 .2262 .92
	Fe2 .2256 .0145 .2239 1.13
	SiA .0454 .3384 .2915 .64
	SiB .5531 .8334 .2431 .77
	O1A .871 .338 .178 .62
	O1B .379 .837 .137 .59
	O2A .125 .496 .335 .70
	O2B .633 .981 .387 1.17
	O3A .106 .266 .597 1.45
	O3B .608 .702 .470 1.60
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	Clinoferrosilite
	Hugh-Jones D A, Woodland A B, Angel R J
	American Mineralogist 79 (1994) 1032-1041
	The structure of high-pressure C2/c ferrosilite and crystal chemistry of
	high-pressure C2/c pyroxenes
	P = 1.87 GPa
	_database_code_amcsd 0001680
	9.540 8.996 5.008 90 103.01 90 C2/c
	atom x y z Biso
	Fe1 0 .9054 .25 .38
	Fe2 0 .2721 .25 .28
	Si .2988 .0882 .2225 .05
	O1 .126 .095 .154 .30
	O2 .377 .233 .373 .30
	O3 .352 .053 .934 .30
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	Clinoferrosilite
	Hugh-Jones D A, Woodland A B, Angel R J
	American Mineralogist 79 (1994) 1032-1041
	The structure of high-pressure C2/c ferrosilite and crystal chemistry of
	high-pressure C2/c pyroxenes
	Sample: fictive hedenbergite-like C2/c FeSiO3 phase
	_database_code_amcsd 0001681
	9.73 9.11 5.23 90 107.8 90 C2/c
	atom x y z
	Fe1 0 .901 .25
	Fe2 0 .263 .25
	Si .296 .085 .252
	O1 .124 .090 .159
	O2 .375 .240 .362
	O3 .359 .031 .045
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	Gillespite
	Miletich R, Allan D R, Angel R J
	American Mineralogist 82 (1997) 697-707
	The synthetic Cr2+ silicates BaCrSi4O10 and SrCrSi4O10: The missing links in
	the gillespite-type ABSi4O10 series
	BaCrSi4O10
	_database_code_amcsd 0001911
	7.5314 7.5314 16.0518 90 90 90 *P4/ncc
	.25 -.25 0
	atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Ba .25 .75 0 .00651 .00651 .00117 0 0 0
	Cr .25 .25 .09181 .00419 .00419 .00170 0 0 0
	Si .51961 .93512 .15441 .00491 .00493 .00112 .00032 .00007 -.00008
	O1 .47275 .97275 .25 .01530 .01530 .00126 -.00202 .00140 -.00140
	O2 .72301 .99639 .13722 .00444 .00951 .00203 -.00074 -.00007 .00067
	O3 .39096 .02503 .08973 .00701 .00544 .00255 .00122 -.00151 -.00066
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	Gillespite
	Miletich R, Allan D R, Angel R J
	American Mineralogist 82 (1997) 697-707
	The synthetic Cr2+ silicates BaCrSi4O10 and SrCrSi4O10: The missing links in
	the gillespite-type ABSi4O10 series
	SrCrSi4O10
	_database_code_amcsd 0001912
	7.4562 7.4562 15.5414 90 90 90 *P4/ncc
	.25 -.25 0
	atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Sr .25 .75 0 .00518 .00518 .00128 0 0 0
	Cr .25 .25 .08564 .00368 .00368 .00164 0 0 0
	Si .50962 .92707 .15094 .00360 .00428 .00124 .00001 .00010 -.00002
	O1 .46361 .96361 .25 .01102 .01102 .00173 -.00131 .00117 -.00117
	O2 .71284 .99735 .13192 .00434 .00842 .00186 -.00094 -.00026 .00062
	O3 .37015 .01058 .08572 .00460 .00385 .00252 .00130 -.00114 .00051
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	Gillespite
	Miletich R, Allan D R, Angel R J
	American Mineralogist 82 (1997) 697-707
	The synthetic Cr2+ silicates BaCrSi4O10 and SrCrSi4O10: The missing links in
	the gillespite-type ABSi4O10 series
	CaCrSi4O10
	_database_code_amcsd 0001913
	7.3772 7.3772 15.1231 90 90 90 *P4/ncc
	.25 -.25 0
	atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Ca .25 .75 0 .00517 .00517 .00246 0 0 0
	Cr .25 .25 .07914 .00392 .00392 .00276 0 0 0
	Si .50303 .92233 .14768 .00430 .00423 .00248 -.00005 -.00001 -.00018
	O1 .45734 .95734 .25 .01147 .01147 .00248 -.00089 .00078 -.00078
	O2 .70527 .99877 .12658 .00387 .00863 .00364 -.00095 .00016 -.00058
	O3 .35742 .00147 .08218 .00494 .00482 .00336 .00059 -.00012 .00050
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	Titanite
	Angel R J
	American Mineralogist 82 (1997) 836-839
	Transformation of fivefold-coordinated silicon to octahedral silicon in calcium
	silicate, CaSi2O5
	_database_code_amcsd 0001930
	6.5430 8.3918 6.3416 90 113.175 90 *A2/a
	0 .25 .25
	atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Ca .25 .42059 .25 .0084 .0026 .0078 0 .0011 0
	SiVI .5 .25 .75 .0060 .0025 .0072 0 .0017 .0001
	SiIV .75 .43657 .25 .0060 .0026 .0061 .0061 0 .0014
	O1 .75 .3090 .75 .0052 .0029 .0093 0 .0022 0
	O2 .9142 .3178 .4477 .0080 .0032 .0079 .0002 .0018 -.0001
	O3 .3958 .4500 .6531 .0070 .0029 .0062 .0001 .0012 -.0002
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	Wadsleyite
	Woodland A B, Angel R J
	American Mineralogist 83 (1998) 404-408
	Crystal structure of a new spinelloid with the wadsleyite structure in the
	system Fe2SiO4-Fe3O4 and implications for the Earth's mantle
	Fe2.45Si.55O4
	_database_code_amcsd 0001980
	5.8559 11.8936 8.3684 90 90 90 Imma
	atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Fe1 0 0 0 .0067 .00174 .0033 0 0 .00000
	Fe2 0 .25 .96966 .0062 .00170 .0028 0 0 0
	Fe3 .25 .12496 .25 .0082 .00194 .00300 0 -.00003 0
	Si 0 .11991 .6180 .55 .0051 .00144 .00249 0 0 .00000
	Fe 0 .11991 .6180 .45 .0051 .00144 .00249 0 0 0
	O1 0 .25 .2255 .0057 .0022 .0031 0 0 0
	O2 0 .25 .7234 .0065 .0047 .0033 0 0 0
	O3 0 -.0041 .2544 .0042 .0038 .0042 0 0 -.0017
	O4 .2556 .1222 .0014 .0092 .0038 .0039 .00012 -.0018 -.00005
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	AlSiO3OH
	Schmidt M W, Finger L W, Angel R J, Dinnebier R E
	American Mineralogist 83 (1998) 881-888
	Synthesis, crystal structure, and phase relations of AlSiO3OH, a high-pressure
	hydrous phase
	_database_code_amcsd 0002027
	7.14409 4.33462 6.95253 90 98.369 90 P2_1/n
	atom x y z Biso
	Al .06463 .02406 .70840 .270
	Si .68048 .01714 .58383 .314
	H .796 .553 .422 1.7
	O1 .1513 .2023 .2600 .35
	O2 .5226 .1937 .3943 .26
	O3 .88004 .2007 .51236 .19
	O4 .76017 .2146 .1288 .31
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	Kanoite
	Arlt T, Angel R J, Miletich R, Armbruster T, Peters T
	American Mineralogist 83 (1998) 1176-1181
	High-pressure P2_1/c-C2/c phase transitions in clinopyroxenes:
	Influence of cation size and electronic structure
	Sample at P = 0.0 GPa
	_database_code_amcsd 0002049
	9.7196 8.9172 5.2465 90 108.74 90 P2_1/c
	atom x y z occ Biso
	Mg1 .25065 .6537 .2279 .900 .58
	Mn1 .25065 .6537 .2279 .100 .58
	Mn2 .25487 .02031 .2269 .744 .82
	Mg2 .25487 .02031 .2269 .256 .82
	SiA .04220 .34061 .2806 .63
	SiB .54959 .83774 .2358 .64
	O1A .8671 .3378 .1725 .77
	O1B .3741 .8382 .1312 .82
	O2A .1188 .5006 .3237 .91
	O2B .6281 .9881 .3715 .96
	O3A .1042 .2677 .5875 .89
	O3B .6047 .7066 .4751 .88
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	Kanoite
	Arlt T, Angel R J, Miletich R, Armbruster T, Peters T
	American Mineralogist 83 (1998) 1176-1181
	High-pressure P2_1/c-C2/c phase transitions in clinopyroxenes:
	Influence of cation size and electronic structure
	Sample at P = 5.2 GPa
	_database_code_amcsd 0002050
	9.4199 8.7830 5.0201 90 103.050 90 C2/c
	atom x y z occ Biso
	Mg1 0 .9064 .25 .836 1.09
	Mn1 0 .9064 .25 .164 1.09
	Mn2 0 .2812 .25 .264 .85
	Mg2 0 .2812 .25 .736 .85
	Si .2945 .0910 .2187 .87
	O1 .1225 .0881 .1409 1.01
	O2 .3758 .2427 .3615 .97
	O3 .3488 .0514 .9339 1.15
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	Titanite
	Angel R J, Kunz M, Miletich R, Woodland A B, Koch M, Knoche R L
	American Mineralogist 84 (1999) 282-287
	Effect of isovalent Si,Ti substitution on the bulk moduli of Ca(Ti1-xSix)SiO5
	titanites
	P = 1 atm
	_database_code_amcsd 0002101
	6.5430 8.3918 6.3416 90 113.175 90 *A2/a
	0 .25 .25
	atom x y z
	Ca .25 .42059 .25
	SiVI .5 .25 .75
	SiIV .75 .43657 .25
	O1 .75 .3090 .75
	O2 .9142 .3178 .4477
	O3 .3958 .4500 .6531
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	Titanite
	Angel R J, Kunz M, Miletich R, Woodland A B, Koch M, Knoche R L
	American Mineralogist 84 (1999) 282-287
	Effect of isovalent Si,Ti substitution on the bulk moduli of Ca(Ti1-xSix)SiO5
	titanites
	P = 1.0 GPa
	_database_code_amcsd 0002102
	6.5297 8.3823 6.3227 90 113.087 90 *A2/a
	0 .25 .25
	atom x y z
	Ca .25 .4202 .25
	SiVI .5 .25 .75
	SiIV .75 .4361 .25
	O1 .75 .3098 .75
	O2 .9201 .3184 .4481
	O3 .3985 .4497 .6547
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	Titanite
	Angel R J, Kunz M, Miletich R, Woodland A B, Koch M, Knoche R L
	American Mineralogist 84 (1999) 282-287
	Effect of isovalent Si,Ti substitution on the bulk moduli of Ca(Ti1-xSix)SiO5
	titanites
	P = 2.6 GPa
	_database_code_amcsd 0002103
	6.5096 8.3636 6.2954 90 112.960 90 *A2/a
	0 .25 .25
	atom x y z
	Ca .25 .4197 .25
	SiVI .5 .25 .75
	SiIV .75 .4378 .25
	O1 .75 .3108 .75
	O2 .915 .3178 .4461
	O3 .408 .4510 .655
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	Titanite
	Angel R J, Kunz M, Miletich R, Woodland A B, Koch M, Knoche R L
	American Mineralogist 84 (1999) 282-287
	Effect of isovalent Si,Ti substitution on the bulk moduli of Ca(Ti1-xSix)SiO5
	titanites
	P = 4.4 GPa
	_database_code_amcsd 0002104
	6.4850 8.3431 6.2653 90 112.784 90 *A2/a
	0 .25 .25
	atom x y z
	Ca .25 .4194 .25
	SiVI .5 .25 .75
	SiIV .75 .4378 .25
	O1 .75 .3115 .75
	O2 .928 .3191 .4475
	O3 .396 .4507 .6514
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	Titanite
	Angel R J, Kunz M, Miletich R, Woodland A B, Koch M, Knoche R L
	American Mineralogist 84 (1999) 282-287
	Effect of isovalent Si,Ti substitution on the bulk moduli of Ca(Ti1-xSix)SiO5
	titanites
	P = 5.8 GPa
	_database_code_amcsd 0002105
	6.4699 8.3294 6.2444 90 112.688 90 *A2/a
	0 .25 .25
	atom x y z
	Ca .25 .4191 .25
	SiVI .5 .25 .75
	SiIV .75 .4369 .25
	O1 .75 .3098 .75
	O2 .916 .3194 .4446
	O3 .393 .4497 .6487
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	Albite
	Benusa M D, Angel R J, Ross N L
	American Mineralogist 90 (2005) 1115-1120
	Compression of albite, NaAlSi3O8
	Sample: Amelia Court House, Virginia locality P = 6.489 GPa
	_database_code_amcsd 0003798
	7.7176 12.5592 7.0113 93.963 117.177 88.132 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 .2490 .9935 .1490 2.5 .0094 .0034 .0261 -.0003 .0104 -.0032
	Al1o -.0021 .16648 .2025 .69
	Si1m -.0096 .82031 .2349 .69
	Si2o .6867 .10437 .3121 .44
	Si2m .6558 .87698 .3551 .50
	Oa1 .0115 .1286 .968 .98
	Oa2 .5675 .9956 .284 .60
	Obo .7989 .0923 .168 .86
	Obm .7872 .8436 .237 1.10
	Oco -.0285 .2993 .265 .78
	Ocm .0150 .6929 .223 1.13
	Odo .2184 .1171 .396 1.35
	Odm .1618 .8737 .431 1.68
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	Albite
	Benusa M D, Angel R J, Ross N L
	American Mineralogist 90 (2005) 1115-1120
	Compression of albite, NaAlSi3O8
	Sample: Amelia Court House, Virginia locality P = 8.411 GPa
	_database_code_amcsd 0003799
	7.5713 12.5170 6.9697 93.797 117.448 87.508 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 .2419 .9924 .1592 2.06 .0061 .0028 .0226 .0008 .0075 -.0012
	Al1o -.0102 .16866 .1994 .53
	Si1m -.0185 .82205 .2325 .48
	Si2o .6853 .10184 .3109 .43
	Si2m .6446 .87510 .3493 .47
	Oa1 .0137 .1305 .971 1.03
	Oa2 .5636 .9968 .293 .57
	Obo .7927 .0899 .162 .89
	Obm .7637 .8399 .212 .95
	Oco -.0438 .3017 .266 .65
	Ocm .0297 .6969 .255 .97
	Odo .2133 .1229 .397 1.33
	Odm .1475 .8860 .440 1.61
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	Albite
	Benusa M D, Angel R J, Ross N L
	American Mineralogist 90 (2005) 1115-1120
	Compression of albite, NaAlSi3O8
	Sample: Amelia Court House, Virginia locality P = 9.431 GPa
	_database_code_amcsd 0003800
	7.5028 12.4933 6.9463 93.903 117.791 86.786 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 .2367 .9905 .1659 1.11 .0027 .0018 .0088 .0003 .0010 -.0011
	Al1o -.0159 .17068 .1989 .58
	Si1m -.0233 .82420 .2310 .50
	Si2o .6907 .10098 .3197 .49
	Si2m .6399 .87498 .3462 .45
	Oa1 .0136 .1329 .969 .93
	Oa2 .5569 .9985 .2912 .60
	Obo .7858 .0904 .155 .86
	Obm .7530 .8395 .202 .92
	Oco -.0550 .3039 .2624 .69
	Ocm .0370 .7006 .271 .92
	Odo .2103 .1278 .397 1.09
	Odm .1306 .8953 .434 1.15
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	Sillimanite
	Burt J B, Ross N L, Angel R J, Koch M
	American Mineralogist 91 (2006) 319-326
	Equations of state and structures of andalusite
	to 9.8 GPa and sillimanite to 8.5 GPa
	Locality: Okkamitiya Sabaragamuiwa province, Sri Lanka
	Sample: P = .0001 GPa
	_database_code_amcsd 0004109
	7.48388 7.6726 5.76807 90 90 90 Pbnm
	atom x y z Biso
	Al1 0 0 0 .33
	Al2 .14181 .3451 .25 .40
	Si .15318 .3407 .75 .39
	OA .3607 .4075 .75 .35
	OB .3572 .4348 .25 .42
	OC .4762 .0022 .75 .94
	OD .1258 .2228 .5151 .54
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	Sillimanite
	Burt J B, Ross N L, Angel R J, Koch M
	American Mineralogist 91 (2006) 319-326
	Equations of state and structures of andalusite
	to 9.8 GPa and sillimanite to 8.5 GPa
	Locality: Okkamitiya Sabaragamuiwa province, Sri Lanka
	Sample: P = 1.548 GPa
	_database_code_amcsd 0004110
	7.46040 7.6395 5.75840 90 90 90 Pbnm
	atom x y z Biso
	Al1 0 0 0 .40
	Al2 .14164 .3439 .25 .49
	Si .15356 .3414 .75 .37
	OA .3614 .4054 .75 .41
	OB .3562 .4337 .25 .44
	OC .4756 .0040 .75 .94
	OD .1261 .2223 .5148 .61
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	Sillimanite
	Burt J B, Ross N L, Angel R J, Koch M
	American Mineralogist 91 (2006) 319-326
	Equations of state and structures of andalusite
	to 9.8 GPa and sillimanite to 8.5 GPa
	Locality: Okkamitiya Sabaragamuiwa province, Sri Lanka
	Sample: P = 4.144 GPa
	_database_code_amcsd 0004111
	7.42183 7.5868 5.74298 90 90 90 Pbnm
	atom x y z Biso
	Al1 0 0 0 .41
	Al2 .1411 .3410 .25 .47
	Si .15455 .3377 .75 .44
	OA .3629 .4080 .75 .41
	OB .3556 .4364 .25 .48
	OC .4747 .0051 .75 .97
	OD .1267 .2194 .5154 .59
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	Sillimanite
	Burt J B, Ross N L, Angel R J, Koch M
	American Mineralogist 91 (2006) 319-326
	Equations of state and structures of andalusite
	to 9.8 GPa and sillimanite to 8.5 GPa
	Locality: Okkamitiya Sabaragamuiwa province, Sri Lanka
	Sample: P = 5.750 GPa
	_database_code_amcsd 0004112
	7.39939 7.5576 5.73421 90 90 90 Pbnm
	atom x y z Biso
	Al1 0 0 0 .28
	Al2 .14001 .3378 .25 .31
	Si .15466 .3363 .75 .28
	OA .3639 .4142 .75 .41
	OB .3545 .4452 .25 .42
	OC .4738 .0047 .75 .85
	OD .1275 .2162 .5154 .47
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	Sillimanite
	Burt J B, Ross N L, Angel R J, Koch M
	American Mineralogist 91 (2006) 319-326
	Equations of state and structures of andalusite
	to 9.8 GPa and sillimanite to 8.5 GPa
	Locality: Okkamitiya Sabaragamuiwa province, Sri Lanka
	Sample: P = 7.663 GPa
	_database_code_amcsd 0004113
	7.3717 7.5243 5.72421 90 90 90 Pbnm
	atom x y z Biso
	Al1 0 0 0 .25
	Al2 .1397 .3389 .25 .32
	Si .1550 .3363 .75 .25
	OA .3642 .4117 .75 .22
	OB .3550 .4411 .25 .55
	OC .4723 .0033 .75 .84
	OD .1285 .2167 .5148 .47
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	Andalusite
	Burt J B, Ross N L, Angel R J, Koch M
	American Mineralogist 91 (2006) 319-326
	Equations of state and structures of andalusite
	to 9.8 GPa and sillimanite to 8.5 GPa
	Locality: Minas Gerais, Brazil
	Sample: P = .0001 GPa
	_database_code_amcsd 0004114
	7.7930 7.89734 5.55583 90 90 90 Pnnm
	atom x y z Biso
	Al1 0 0 .2418 .44
	Al2 .3703 .13879 .5 .41
	Si .2465 .25237 0 .40
	OA .4224 .3638 .5 .43
	OB .4254 .3619 0 .42
	OC .1017 .4012 0 .73
	OD .2292 .1341 .2388 .52
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	Andalusite
	Burt J B, Ross N L, Angel R J, Koch M
	American Mineralogist 91 (2006) 319-326
	Equations of state and structures of andalusite
	to 9.8 GPa and sillimanite to 8.5 GPa
	Locality: Minas Gerais, Brazil
	Sample: P = 1.474 GPa
	_database_code_amcsd 0004115
	7.7568 7.87268 5.54488 90 90 90 Pnnm
	atom x y z Biso
	Al1 0 0 .24198 .29
	Al2 .3704 .13868 .5 .31
	Si .2464 .25148 0 .28
	OA .4217 .3630 .5 .3159
	OB .4257 .3615 0 .36
	OC .1018 .4004 0 .70
	OD .2302 .13261 .2395 .45
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	Andalusite
	Burt J B, Ross N L, Angel R J, Koch M
	American Mineralogist 91 (2006) 319-326
	Equations of state and structures of andalusite
	to 9.8 GPa and sillimanite to 8.5 GPa
	Locality: Minas Gerais, Brazil
	Sample: P = 2.512 GPa
	_database_code_amcsd 0004116
	7.7320 7.85659 5.53642 90 90 90 Pnnm
	atom x y z Biso
	Al1 0 0 .2415 .31
	Al2 .3700 .13868 .5 .31
	Si .2466 .25092 0 .301
	OA .4208 .3637 .5 .37
	OB .4270 .3608 0 .34
	OC .1044 .4001 0 .67
	OD .2296 .1320 .2400 .47
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	Andalusite
	Burt J B, Ross N L, Angel R J, Koch M
	American Mineralogist 91 (2006) 319-326
	Equations of state and structures of andalusite
	to 9.8 GPa and sillimanite to 8.5 GPa
	Locality: Minas Gerais, Brazil
	Sample: P = 3.129 GPa
	_database_code_amcsd 0004117
	7.7186 7.8467 5.5329 90 90 90 Pnnm
	atom x y z Biso
	Al1 0 0 .24182 .299
	Al2 .3699 .13831 .5 .321
	Si .2466 .25083 0 .294
	OA .4203 .3631 .5 .33
	OB .4272 .3601 0 .32
	OC .1020 .3998 0 .71
	OD .2296 .13146 .2394 .44
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	Andalusite
	Burt J B, Ross N L, Angel R J, Koch M
	American Mineralogist 91 (2006) 319-326
	Equations of state and structures of andalusite
	to 9.8 GPa and sillimanite to 8.5 GPa
	Locality: Minas Gerais, Brazil
	Sample: P = 3.932 GPa
	_database_code_amcsd 0004118
	7.7014 7.8354 5.52629 90 90 90 Pnnm
	atom x y z Biso
	Al1 0 0 .2419 .31
	Al2 .3702 .13830 .5 .31
	Si .2472 .25020 0 .28
	OA .4215 .3635 .5 .35
	OB .4259 .3599 0 .38
	OC .1045 .3996 0 .70
	OD .2289 .1315 .2398 .40
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	Andalusite
	Burt J B, Ross N L, Angel R J, Koch M
	American Mineralogist 91 (2006) 319-326
	Equations of state and structures of andalusite
	to 9.8 GPa and sillimanite to 8.5 GPa
	Locality: Minas Gerais, Brazil
	Sample: P = 5.441 GPa
	_database_code_amcsd 0004119
	7.6704 7.81452 5.51589 90 90 90 Pnnm
	atom x y z Biso
	Al1 0 0 .2417 .30
	Al2 .3695 .13774 .5 .30
	Si .2475 .24974 0 .30
	OA .4203 .3633 .5 .3304
	OB .4287 .3584 0 .33
	OC .10377 .3999 0 .75
	OD .2292 .1303 .2399 .39
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	Andalusite
	Burt J B, Ross N L, Angel R J, Koch M
	American Mineralogist 91 (2006) 319-326
	Equations of state and structures of andalusite
	to 9.8 GPa and sillimanite to 8.5 GPa
	Locality: Minas Gerais, Brazil
	Sample: P = 7.565 GPa
	_database_code_amcsd 0004120
	7.6313 7.78625 5.50175 90 90 90 Pnnm
	atom x y z Biso
	Al1 0 0 .2418 .30
	Al2 .3694 .1378 .5 .36
	Si .2471 .2485 0 .37
	OA .4194 .3621 .5 .39
	OB .4290 .3568 0 .37
	OC .1038 .3990 0 .64
	OD .2291 .1290 .2391 .37
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	Andalusite
	Burt J B, Ross N L, Angel R J, Koch M
	American Mineralogist 91 (2006) 319-326
	Equations of state and structures of andalusite
	to 9.8 GPa and sillimanite to 8.5 GPa
	Locality: Minas Gerais, Brazil
	Sample: P = 9.828 GPa
	_database_code_amcsd 0004121
	7.5922 7.7600 5.4872 90 90 90 Pnnm
	atom x y z Biso
	Al1 0 0 .2418 .28
	Al2 .3693 .1378 .5 .28
	Si .2479 .24784 0 .28
	OA .4187 .3631 .5 .33
	OB .4309 .3562 0 .37
	OC .1043 .4003 0 .77
	OD .2288 .1285 .2393 .33
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	Nepheline
	Gatta G D, Angel R J
	American Mineralogist 92 (2007) 1446-1455
	Elastic behavior and pressure-induced structural evolution of nepheline:
	Implications for the nature of the modulated superstructure
	Locality: intrusive aplite of Snipe River, Tambani, Nyasaland, Malawi
	Sample: P = .0001 GPa, in air
	_database_code_amcsd 0004422
	9.9995 9.9995 8.3766 90 90 120 P6_3
	atom x y z occ Uiso
	K 0 0 .00410 .54 .03296
	NaK 0 0 .00410 .24 .03296
	CaK 0 0 .00410 .03 .03296
	Na .55412 .99724 .50845 .02537
	AlT1 2/3 1/3 .70194 .01271
	SiT2 2/3 1/3 .31362 .01423
	SiT3 .90568 .66614 .82276 .01378
	AlT4 .90645 .66759 .19630 .01235
	O1 .6619 .2891 .50178 1/3 .0335
	O2 .97288 .68347 .00309 .03350
	O3 .82649 .47750 .25170 .03807
	O4 .83665 .48973 .76444 .03390
	O5 .77365 .71475 .82462 .02064
	O6 .77607 .73287 .20149 .02315
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	Nepheline
	Gatta G D, Angel R J
	American Mineralogist 92 (2007) 1446-1455
	Elastic behavior and pressure-induced structural evolution of nepheline:
	Implications for the nature of the modulated superstructure
	Locality: intrusive aplite of Snipe River, Tambani, Nyasaland, Malawi
	Sample: P = .0001 GPa, in DAC
	_database_code_amcsd 0004423
	9.9910 9.9910 8.3702 90 90 120 P6_3
	atom x y z occ Uiso
	K 0 0 .0051 .54 .032
	NaK 0 0 .0051 .24 .032
	CaK 0 0 .0051 .03 .032
	Na .55384 .99711 .5071 .0239
	AlT1 2/3 1/3 .7028 .0069
	SiT2 2/3 1/3 .3144 .0173
	SiT3 .90486 .66596 .82172 .0112
	AlT4 .90743 .66818 .19535 .0128
	O1 .6565 .2857 .5022 1/3 .0234
	O2 .9740 .6844 .0021 .0244
	O3 .8220 .4743 .2304 .0373
	O4 .8393 .4905 .7526 .0198
	O5 .7705 .7130 .8226 .0108
	O6 .7787 .7369 .2016 .0274
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	Nepheline
	Gatta G D, Angel R J
	American Mineralogist 92 (2007) 1446-1455
	Elastic behavior and pressure-induced structural evolution of nepheline:
	Implications for the nature of the modulated superstructure
	Locality: intrusive aplite of Snipe River, Tambani, Nyasaland, Malawi
	Sample: P = 1.967 GPa
	_database_code_amcsd 0004424
	9.8499 9.8499 8.2838 90 90 120 P6_3
	atom x y z occ Uiso
	K 0 0 .0029 .54 .0268
	NaK 0 0 .0029 .24 .0268
	CaK 0 0 .0029 .03 .0268
	Na .55578 .99782 .5066 .0217
	AlT1 2/3 1/3 .7049 .0096
	SiT2 2/3 1/3 .3107 .0113
	SiT3 .91197 .66799 .82507 .0092
	AlT4 .91316 .67064 .19626 .0114
	O1 .6621 .2962 .5011 1/3 .0238
	O2 .98771 .69126 .0055 .0205
	O3 .8293 .47474 .2310 .0222
	O4 .8432 .48988 .7551 .0244
	O5 .77506 .71427 .8302 .0138
	O6 .7815 .7375 .1941 .0212
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	Nepheline
	Gatta G D, Angel R J
	American Mineralogist 92 (2007) 1446-1455
	Elastic behavior and pressure-induced structural evolution of nepheline:
	Implications for the nature of the modulated superstructure
	Locality: intrusive aplite of Snipe River, Tambani, Nyasaland, Malawi
	Sample: P = 4.130 GPa
	_database_code_amcsd 0004425
	9.7178 9.7178 8.2030 90 90 120 P6_3
	atom x y z occ Uiso
	K 0 0 .0041 .54 .0190
	NaK 0 0 .0041 .24 .0190
	CaK 0 0 .0041 .03 .0190
	Na .55760 .99930 .5064 .0182
	AlT1 2/3 1/3 .71222 .0087
	SiT2 2/3 1/3 .31158 .0075
	SiT3 .91817 .67174 .82475 .0091
	AlT4 .91775 .67115 .19370 .0075
	O1 2/3 1/3 .5059 .0406
	O2 .00071 .69849 .0042 .0144
	O3 .8336 .47374 .2310 .0207
	O4 .8456 .48771 .7642 .0166
	O5 .77691 .71442 .8345 .0126
	O6 .7850 .7392 .1875 .0135
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	Nepheline
	Gatta G D, Angel R J
	American Mineralogist 92 (2007) 1446-1455
	Elastic behavior and pressure-induced structural evolution of nepheline:
	Implications for the nature of the modulated superstructure
	Locality: intrusive aplite of Snipe River, Tambani, Nyasaland, Malawi
	Sample: P = 6.108 GPa
	_database_code_amcsd 0004426
	9.6189 9.6189 8.1423 90 90 120 P6_3
	atom x y z occ Uiso
	K 0 0 -.0073 .54 .0171
	NaK 0 0 -.0073 .24 .0171
	CaK 0 0 -.0073 .03 .0171
	Na .55850 .00022 .5027 .0169
	AlT1 2/3 1/3 .70282 .0085
	SiT2 2/3 1/3 .29904 .0089
	SiT3 .92093 .67173 .81891 .0081
	AlT4 .92279 .67442 .18671 .0073
	O1 2/3 1/3 .4957 .0355
	O2 .00916 .70138 -.0036 .0138
	O3 .8360 .47420 .2237 .0172
	O4 .8486 .48610 .7632 .0175
	O5 .77757 .71312 .8327 .0107
	O6 .7868 .7399 .1798 .0135
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	Nepheline
	Gatta G D, Angel R J
	American Mineralogist 92 (2007) 1446-1455
	Elastic behavior and pressure-induced structural evolution of nepheline:
	Implications for the nature of the modulated superstructure
	Locality: intrusive aplite of Snipe River, Tambani, Nyasaland, Malawi
	Sample: P = 7.462 GPa
	_database_code_amcsd 0004427
	9.5587 9.5587 8.1051 90 90 120 P6_3
	atom x y z occ Uiso
	K 0 0 .0028 .54 .0220
	NaK 0 0 .0028 .24 .0220
	CaK 0 0 .0028 .03 .0220
	Na .56008 .00140 .5064 .0195
	AlT1 2/3 1/3 .71012 .0108
	SiT2 2/3 1/3 .30483 .0101
	SiT3 .92358 .67276 .82528 .0100
	AlT4 .92423 .67448 .19201 .0114
	O1 2/3 1/3 .5018 .0299
	O2 .01431 .70341 .0017 .0143
	O3 .8408 .4758 .2446 .0202
	O4 .8457 .4826 .7859 .0164
	O5 .7801 .7144 .8417 .0077
	O6 .7866 .7396 .1862 .0197
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	Nepheline
	Gatta G D, Angel R J
	American Mineralogist 92 (2007) 1446-1455
	Elastic behavior and pressure-induced structural evolution of nepheline:
	Implications for the nature of the modulated superstructure
	Locality: intrusive aplite of Snipe River, Tambani, Nyasaland, Malawi
	Sample: P = .0001 GPa, in air after decompression
	_database_code_amcsd 0004428
	9.9907 9.9907 8.3695 90 90 120 P6_3
	atom x y z occ Uiso
	K 0 0 .00350 .54 .03448
	NaK 0 0 .00350 .24 .03448
	CaK 0 0 .00350 .03 .03448
	Na .55414 .99762 .50785 .02594
	AlT1 2/3 1/3 .70209 .01355
	SiT2 2/3 1/3 .31353 .01392
	SiT3 .90606 .66644 .82291 .01334
	AlT4 .90620 .66767 .19635 .01306
	O1 .6708 .2957 .5008 1/3 .0348
	O2 .97316 .68409 .00228 .03106
	O3 .82600 .47725 .25143 .0360
	O4 .83662 .48965 .76565 .0328
	O5 .77305 .71396 .82379 .01929
	O6 .77664 .73391 .20013 .0230
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	CaGe2O5
	Nestola F, Nemeth P, Angel R J, Buseck P R
	American Mineralogist 93 (2008) 1424-1428
	Equation of state and crystal structure of a new germanate post-titanite phase
	Locality: synthetic
	Note: pressure = 8.6 GPa
	_database_code_amcsd 0004635
	7.1236 8.1912 5.6468 90 90 90 Pbam
	atom x y z Uiso
	Ca .1313 .6663 .5 .0053
	Ge1 0 0 .2543 .0044
	Ge2 .8918 .6468 0 .0039
	O1 .1087 .2079 .243 .005
	O2 0 .5 .204 .005
	O3 .161 .9439 .5 .005
	O4 .655 .575 0 .005
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	Datolite
	Rinaldi R, Gatta G D, Angel R J
	American Mineralogist 95 (2010) 1413-1421
	Crystal chemistry and low-temperature behavior of datolite:
	a single-crystal X-ray diffraction study
	Locality: Valmozzola, Parma, Italy
	_database_code_amcsd 0017699
	4.8354 7.6082 9.6335 90 90.158 90 P2_1/c
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ca .00832 .60617 .16388 .0064 .0068 .0071 .0055 .0005 .0004 .0000
	B .56839 .08950 -.15909 .0051 .0053 .0059 .0042 .0002 .0007 .0003
	Si .46883 .26615 .08438 .0043 .0052 .0042 .0034 .0003 .0000 -.0002
	O1 .24051 .40104 .03745 .0074 .0083 .0071 .0068 .0024 -.0008 -.0001
	O2 .66987 .19903 -.04273 .0063 .0071 .0070 .0049 -.0010 .0009 -.0019
	O3 .67508 .33472 .21044 .0062 .0064 .0084 .0039 .0003 .0003 -.0016
	O4 .31509 .08787 .14600 .0070 .0080 .0043 .0086 .0003 .0024 .0008
	O5 .25854 .08652 -.16342 .0074 .0055 .0103 .0063 -.0007 .0004 .0009
	H .207 .0523 -.0879 .029
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	Datolite
	Rinaldi R, Gatta G D, Angel R J
	American Mineralogist 95 (2010) 1413-1421
	Crystal chemistry and low-temperature behavior of datolite:
	a single-crystal X-ray diffraction study
	Locality: Boccassuolo, Modena, Italy
	_database_code_amcsd 0017700
	4.8332 7.6082 9.6342 90 90.147 90 P2_1/c
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ca .00835 .60619 .16389 .0067 .0073 .0079 .0049 .0005 -.0002 .0001
	B .5685 .08941 -.15925 .0056 .0067 .0065 .0035 .0006 -.0003 .0003
	Si .46894 .26609 .08439 .0045 .0057 .0050 .0027 .0006 -.0007 -.0003
	O1 .24029 .40110 .03750 .0079 .0083 .0087 .0066 .0029 -.0020 -.0004
	O2 .67035 .19913 -.04276 .0067 .0075 .0086 .0040 -.0012 .0007 -.0019
	O3 .67535 .33466 .21047 .0066 .0073 .0096 .0029 .0000 -.0007 -.0017
	O4 .31490 .08794 .14605 .0072 .0082 .0055 .0080 .0004 .0016 .0008
	O5 .25877 .08655 -.16350 .0077 .0063 .0106 .0062 -.0011 -.0003 .0008
	H .216 .037 -.096 .028
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	Datolite
	Rinaldi R, Gatta G D, Angel R J
	American Mineralogist 95 (2010) 1413-1421
	Crystal chemistry and low-temperature behavior of datolite:
	a single-crystal X-ray diffraction study
	Locality: Campotrera, Reggio Emilia, Italy
	_database_code_amcsd 0017701
	4.8355 7.6102 9.6317 90 90.150 90 P2_1/c
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ca .00835 .60622 .16387 .0063 .0058 .0073 .0058 .0005 .0002 .0000
	B .5682 .08946 -.15914 .0051 .0048 .0058 .0048 -.0002 .0001 -.0002
	Si .46903 .26609 .08442 .0042 .0043 .0046 .0039 .0003 -.0002 -.0002
	O1 .24040 .40095 .03741 .0077 .0077 .0076 .0077 .0025 -.0014 -.0002
	O2 .66992 .19887 -.04268 .0062 .0059 .0077 .0051 -.0012 .0011 -.0023
	O3 .67513 .33452 .21048 .0061 .0055 .0085 .0043 .0000 -.0003 -.0018
	O4 .31507 .08816 .14600 .0070 .0070 .0046 .0094 .0005 .0025 .0007
	O5 .25878 .08650 -.16356 .0073 .0045 .0107 .0066 -.0006 .0003 .0011
	H .199 .048 -.088 .022
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	Datolite
	Rinaldi R, Gatta G D, Angel R J
	American Mineralogist 95 (2010) 1413-1421
	Crystal chemistry and low-temperature behavior of datolite:
	a single-crystal X-ray diffraction study
	Locality: Sasso Puzzino, Modena, Italy
	_database_code_amcsd 0017702
	4.8336 7.6076 9.6298 90 90.165 90 P2_1/c
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ca .00828 .60620 .16386 .0062 .0058 .0066 .0062 .0005 .0000 -.0001
	B .5686 .0894 -.15918 .0053 .0047 .0056 .0057 .0002 -.0004 .0002
	Si .46889 .26612 .08436 .0041 .0040 .0040 .0042 .0005 -.0004 -.0004
	O1 .2400 .40078 .03753 .0071 .0069 .0070 .0075 .0031 -.0013 .0001
	O2 .6697 .19901 -.04245 .0060 .0056 .0071 .0054 -.0010 .0004 -.0022
	O3 .6754 .33464 .21044 .0060 .0054 .0079 .0047 .0002 -.0005 -.0022
	O4 .3153 .08795 .14589 .0071 .0069 .0039 .0104 -.0002 .0021 .0010
	O5 .2586 .08613 -.16341 .0073 .0047 .0097 .0074 -.0010 .0002 .0006
	H .205 .051 -.094 .037
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	Datolite
	Rinaldi R, Gatta G D, Angel R J
	American Mineralogist 95 (2010) 1413-1421
	Crystal chemistry and low-temperature behavior of datolite:
	a single-crystal X-ray diffraction study
	Locality: Cinghi, Boccassuolo-Modena, Italy
	_database_code_amcsd 0017703
	4.8361 7.6155 9.6392 90 90.134 90 P2_1/c
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ca .00838 .60613 .16386 .0070 .0073 .0071 .0066 .0004 .0004 .0000
	B .5685 .08943 -.15906 .0059 .0067 .0061 .0049 .0000 .0004 .0004
	Si .46897 .26613 .08442 .0048 .0057 .0044 .0045 .0003 .0000 -.0002
	O1 .24048 .40086 .03762 .0081 .0090 .0075 .0079 .0025 -.0011 -.0003
	O2 .67002 .19910 -.04259 .0070 .0074 .0077 .0058 -.0013 .0012 -.0021
	O3 .67496 .33448 .21036 .0069 .0073 .0084 .0051 .0001 -.0004 -.0015
	O4 .31472 .08787 .14591 .0077 .0083 .0049 .0100 .0001 .0024 .0010
	O5 .25896 .08649 -.16333 .0079 .0061 .0102 .0075 -.0006 .0008 .0009
	H .214 .048 -.094 .032
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	Datolite
	Rinaldi R, Gatta G D, Angel R J
	American Mineralogist 95 (2010) 1413-1421
	Crystal chemistry and low-temperature behavior of datolite:
	a single-crystal X-ray diffraction study
	Locality: Arendal, Norway
	_database_code_amcsd 0017704
	4.8356 7.6114 9.6341 90 90.158 90 P2_1/c
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ca .00832 .60617 .16393 .0064 .0064 .0073 .0056 .0005 .0003 .0000
	B .56794 .08929 -.15911 .0051 .0055 .0056 .0042 -.0002 .0003 .0004
	Si .46891 .26615 .08439 .0044 .0050 .0047 .0034 .0004 -.0002 -.0003
	O1 .24076 .40091 .03742 .0078 .0084 .0080 .0069 .0026 -.0010 -.0003
	O2 .67004 .19900 -.04251 .0063 .0066 .0073 .0050 -.0015 .0007 -.0019
	O3 .67495 .33449 .21045 .0062 .0062 .0083 .0039 -.0001 -.0001 -.0017
	O4 .31495 .08789 .14598 .0071 .0075 .0053 .0084 .0004 .0023 .0007
	O5 .25883 .08650 -.16350 .0074 .0054 .0104 .0065 -.0007 .0002 .0008
	H .213 .047 -.0930 .030
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	Datolite
	Rinaldi R, Gatta G D, Angel R J
	American Mineralogist 95 (2010) 1413-1421
	Crystal chemistry and low-temperature behavior of datolite:
	a single-crystal X-ray diffraction study
	Locality: Valmozzola, Parma, Italy
	Note: T = 280 K
	_database_code_amcsd 0017705
	4.8355 7.6085 9.6326 90 90.159 90 P2_1/c
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ca .00833 .60616 .16388 .0062 .0065 .0068 .0053 .0004 .0006 .0000
	B .56856 .08933 -.15914 .0052 .0059 .0056 .0040 .0002 .0001 .0003
	Si .46899 .26620 .08436 .0041 .0049 .0043 .0031 .0003 .0002 -.0002
	O1 .24063 .40112 .03738 .0072 .0076 .0073 .0068 .0022 -.0010 -.0003
	O2 .66991 .19903 -.04253 .0061 .0066 .0071 .0045 -.0008 .0010 -.0018
	O3 .67520 .33451 .21047 .0061 .0061 .0083 .0038 .0004 .0004 -.0015
	O4 .31489 .08791 .14591 .0067 .0074 .0046 .0082 .0004 .0024 .0009
	O5 .25889 .08651 -.16344 .0071 .0054 .0099 .0061 -.0008 .0006 .0011
	H .206 .048 -.092 .030 .012 .032 .046 .006 -.005 -.003
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	Datolite
	Rinaldi R, Gatta G D, Angel R J
	American Mineralogist 95 (2010) 1413-1421
	Crystal chemistry and low-temperature behavior of datolite:
	a single-crystal X-ray diffraction study
	Locality: Valmozzola, Parma, Italy
	Note: T = 250 K
	_database_code_amcsd 0017706
	4.8330 7.6074 9.6310 90 90.175 90 P2_1/c
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ca .00835 .60620 .16389 .0056 .0060 .0061 .0047 .0004 .0005 .0001
	B .56831 .08931 -.15912 .0047 .0053 .0053 .0036 .0004 .0004 .0001
	Si .46911 .26634 .08435 .0038 .0047 .0038 .0029 .0003 .0002 -.0001
	O1 .24073 .40130 .03729 .0065 .0070 .0066 .0060 .0019 -.0006 -.0003
	O2 .67008 .19905 -.04246 .0058 .0064 .0066 .0043 -.0010 .0007 -.0017
	O3 .67541 .33463 .21049 .0056 .0059 .0076 .0032 .0003 .0007 -.0013
	O4 .31504 .08798 .14594 .0062 .0071 .0045 .0070 .0002 .0025 .0008
	O5 .25889 .08654 -.16348 .0065 .0048 .0091 .0055 -.0010 .0006 .0010
	H .207 .050 -.092 .035
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	Datolite
	Rinaldi R, Gatta G D, Angel R J
	American Mineralogist 95 (2010) 1413-1421
	Crystal chemistry and low-temperature behavior of datolite:
	a single-crystal X-ray diffraction study
	Locality: Valmozzola, Parma, Italy
	Note: T = 220 K
	_database_code_amcsd 0017707
	4.8325 7.6041 9.6300 90 90.184 90 P2_1/c
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ca .00828 .60625 .16393 .0050 .0052 .0055 .0043 .0004 .0006 .0000
	B .56882 .08946 -.15909 .0044 .0049 .0050 .0034 .0001 .0006 .0003
	Si .46932 .26637 .08433 .0035 .0042 .0036 .0025 .0003 .0003 -.0002
	O1 .24116 .40145 .03713 .0060 .0063 .0063 .0055 .0017 -.0003 -.0002
	O2 .67052 .19898 -.04243 .0053 .0057 .0062 .0039 -.0008 .0008 -.0010
	O3 .67577 .33471 .21049 .0050 .0051 .0068 .0031 .0004 .0004 -.0011
	O4 .31490 .08820 .14588 .0057 .0061 .0041 .0069 .0002 .0022 .0008
	O5 .25916 .08658 -.16354 .0059 .0046 .0083 .0049 -.0007 .0005 .0012
	H .207 .0492 -.0973 .025
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	Datolite
	Rinaldi R, Gatta G D, Angel R J
	American Mineralogist 95 (2010) 1413-1421
	Crystal chemistry and low-temperature behavior of datolite:
	a single-crystal X-ray diffraction study
	Locality: Valmozzola, Parma, Italy
	Note: T = 190 K
	_database_code_amcsd 0017708
	4.8308 7.6011 9.6290 90 90.176 90 P2_1/c
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ca .00821 .60626 .16395 .0045 .0047 .0049 .0039 .0003 .0003 .0001
	B .56919 .08924 -.15927 .0041 .0044 .0042 .0037 .0001 .0001 -.0001
	Si .46940 .26645 .08429 .0031 .0038 .0032 .0023 .0002 .0001 -.0002
	O1 .24095 .40161 .03728 .0054 .0059 .0053 .0049 .0016 -.0004 -.0003
	O2 .67107 .19886 -.04244 .0048 .0053 .0055 .0035 -.0005 .0006 -.0015
	O3 .67594 .33462 .21057 .0046 .0051 .0060 .0028 .0000 .0001 -.0011
	O4 .31449 .08821 .14588 .0051 .0058 .0037 .0059 .0001 .0018 .0006
	O5 .25875 .08665 -.16356 .0055 .0041 .0076 .0047 -.0006 .0003 .0009
	H .203 .0537 -.0901 .024
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	Datolite
	Rinaldi R, Gatta G D, Angel R J
	American Mineralogist 95 (2010) 1413-1421
	Crystal chemistry and low-temperature behavior of datolite:
	a single-crystal X-ray diffraction study
	Locality: Valmozzola, Parma, Italy
	Note: T = 160 K
	_database_code_amcsd 0017709
	4.8303 7.6011 9.6292 90 90.180 90 P2_1/c
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ca .00823 .60628 .16398 .0041 .0043 .0044 .0036 .0002 .0004 .0000
	B .56915 .08918 -.15908 .0039 .0041 .0041 .0035 -.0002 .0003 .0002
	Si .46953 .26652 .08426 .0030 .0035 .0032 .0024 .0002 .0002 -.0001
	O1 .24119 .40174 .03721 .0050 .0053 .0052 .0046 .0012 .0000 -.0004
	O2 .67100 .19902 -.04245 .0045 .0048 .0051 .0036 -.0005 .0004 -.0011
	O3 .67631 .33466 .21064 .0044 .0046 .0056 .0029 .0001 .0002 -.0011
	O4 .31466 .08819 .14591 .0047 .0052 .0031 .0059 .0001 .0016 .0006
	O5 .25889 .08670 -.16354 .0050 .0036 .0069 .0044 -.0006 .0001 .0009
	H .212 .0522 -.0868 .032
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	Datolite
	Rinaldi R, Gatta G D, Angel R J
	American Mineralogist 95 (2010) 1413-1421
	Crystal chemistry and low-temperature behavior of datolite:
	a single-crystal X-ray diffraction study
	Locality: Valmozzola, Parma, Italy
	Note: T = 130 K
	_database_code_amcsd 0017710
	4.8298 7.6002 9.6321 90 90.183 90 P2_1/c
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ca .00821 .60628 .16398 .0035 .0037 .0039 .0030 .0002 .0003 .0001
	B .56930 .08934 -.15908 .0035 .0036 .0041 .0029 -.0001 .0002 .0000
	Si .46966 .26660 .08426 .0026 .0030 .0027 .0021 .0001 .0002 -.0001
	O1 .24102 .40192 .03711 .0043 .0045 .0042 .0043 .0011 -.0004 -.0002
	O2 .67129 .19890 -.04238 .0040 .0043 .0045 .0032 -.0002 .0005 -.0009
	O3 .67642 .33458 .21062 .0038 .0042 .0048 .0025 .0001 .0003 -.0009
	O4 .31455 .08837 .14577 .0042 .0046 .0031 .0048 .0001 .0013 .0004
	O5 .25886 .08678 -.16344 .0046 .0033 .0063 .0041 -.0005 .0007 .0009
	H .203 .0514 -.0883 .025
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	Datolite
	Rinaldi R, Gatta G D, Angel R J
	American Mineralogist 95 (2010) 1413-1421
	Crystal chemistry and low-temperature behavior of datolite:
	a single-crystal X-ray diffraction study
	Locality: Valmozzola, Parma, Italy
	Note: T = 100 K
	_database_code_amcsd 0017711
	4.8284 7.5995 9.6310 90 90.180 90 P2_1/c
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ca .00814 .60632 .16403 .0031 .0033 .0035 .0026 .0002 .0002 .0000
	B .56934 .08914 -.15888 .0033 .0036 .0033 .0030 -.0001 -.0001 .0001
	Si .46979 .26666 .08422 .0024 .0028 .0025 .0018 .0002 .0002 -.0001
	O1 .24114 .40207 .03707 .0041 .0041 .0044 .0039 .0008 -.0004 -.0001
	O2 .67150 .19890 -.04237 .0037 .0041 .0041 .0028 -.0004 .0006 -.0009
	O3 .67669 .33469 .21060 .0035 .0037 .0047 .0022 .0001 .0004 -.0008
	O4 .31451 .08842 .14588 .0039 .0042 .0029 .0045 .0002 .0010 .0004
	O5 .25872 .08669 -.16351 .0042 .0032 .0057 .0036 -.0006 .0004 .0008
	H .208 .0511 -.0874 .029
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	Kalsilite
	Gatta G D, Angel R J, Carpenter M A
	American Mineralogist 95 (2010) 1027-1034
	Low-temperature behavior of natural kalsilite with P31c symmetry:
	An in situ single-crystal X-ray diffraction study
	Locality: a granulite facies gneiss from the Punalur district in Kerala, India
	T = 298 K
	_database_code_amcsd 0005052
	5.1665 5.1665 8.7248 90 90 120 P31c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	K 0 0 .2532 .985 .0195 .0186 .0186 .0213 .0093 0 0
	AlT1 1/3 2/3 .0620 .0120 .0108 .0108 .0143 .0054 0 0
	SiT2 1/3 2/3 .44379 .0087 .0085 .0085 .0091 .0042 0 0
	O1 1/3 2/3 .2591 .0303 .0393 .0393 .0124 .0196 0 0
	O2 .6164 .0132 1.0025 .0195 .0100 .0138 .0312 .0034 .0024 .0045
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	Kalsilite
	Gatta G D, Angel R J, Carpenter M A
	American Mineralogist 95 (2010) 1027-1034
	Low-temperature behavior of natural kalsilite with P31c symmetry:
	An in situ single-crystal X-ray diffraction study
	Locality: a granulite facies gneiss from the Punalur district in Kerala, India
	T = 250 K
	_database_code_amcsd 0005053
	5.1627 5.1627 8.7352 90 90 120 P31c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	K 0 0 .2536 .982 .0168 .0161 .0161 .0183 .00804 0 0
	AlT1 1/3 2/3 .0622 .0112 .0109 .0109 .0119 .0054 0 0
	SiT2 1/3 2/3 .44419 .0078 .0073 .0073 .0089 .0036 0 0
	O1 1/3 2/3 .2595 .0277 .0359 .0359 .0113 .0179 0 0
	O2 .6179 .0141 1.0041 .0175 .0086 .0117 .0279 .0019 .0016 .0034
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	Kalsilite
	Gatta G D, Angel R J, Carpenter M A
	American Mineralogist 95 (2010) 1027-1034
	Low-temperature behavior of natural kalsilite with P31c symmetry:
	An in situ single-crystal X-ray diffraction study
	Locality: a granulite facies gneiss from the Punalur district in Kerala, India
	T = 200 K
	_database_code_amcsd 0005054
	5.1588 5.1588 8.7383 90 90 120 P31c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	K 0 0 .2526 .987 .0142 .0136 .0136 .0152 .00682 0 0
	AlT1 1/3 2/3 .0619 .0093 .0080 .0080 .0119 .0040 0 0
	SiT2 1/3 2/3 .44383 .0071 .0071 .0071 .0071 .0036 0 0
	O1 1/3 2/3 .2590 .0248 .0320 .0320 .0103 .0160 0 0
	O2 .6196 .0146 1.0042 .0148 .0073 .0101 .0234 .0018 .0016 .0028
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	Kalsilite
	Gatta G D, Angel R J, Carpenter M A
	American Mineralogist 95 (2010) 1027-1034
	Low-temperature behavior of natural kalsilite with P31c symmetry:
	An in situ single-crystal X-ray diffraction study
	Locality: a granulite facies gneiss from the Punalur district in Kerala, India
	T = 150 K
	_database_code_amcsd 0005055
	5.1560 5.1560 8.7450 90 90 120 P31c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	K 0 0 .2532 .983 .0117 .0113 .0113 .0125 .00566 0 0
	AlT1 1/3 2/3 .0619 .0096 .0091 .0091 .0106 .0046 0 0
	SiT2 1/3 2/3 .44386 .0059 .0057 .0057 .0063 .0028 0 0
	O1 1/3 2/3 .2589 .0225 .0289 .0289 .0096 .0144 0 0
	O2 .6204 .0140 1.0036 .0136 .0063 .0099 .0204 .0010 .0020 .0015
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	Kalsilite
	Gatta G D, Angel R J, Carpenter M A
	American Mineralogist 95 (2010) 1027-1034
	Low-temperature behavior of natural kalsilite with P31c symmetry:
	An in situ single-crystal X-ray diffraction study
	Locality: a granulite facies gneiss from the Punalur district in Kerala, India
	T = 100 K
	_database_code_amcsd 0005056
	5.1531 5.1531 8.7523 90 90 120 P31c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	K 0 0 .2529 .984 .0091 .0089 .0089 .0097 .00443 0 0
	AlT1 1/3 2/3 .0618 .0078 .0069 .0069 .0096 .0034 0 0
	SiT2 1/3 2/3 .44388 .0052 .0054 .0054 .0049 .0027 0 0
	O1 1/3 2/3 .2588 .0185 .0239 .0239 .0078 .0119 0 0
	O2 .6215 .0147 1.0041 .0111 .0054 .0070 .0180 .0009 .0003 .0007
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	Kalsilite
	Gatta G D, Angel R J, Carpenter M A
	American Mineralogist 95 (2010) 1027-1034
	Low-temperature behavior of natural kalsilite with P31c symmetry:
	An in situ single-crystal X-ray diffraction study
	Locality: a granulite facies gneiss from the Punalur district in Kerala, India
	T = 175 K
	_database_code_amcsd 0005057
	5.1589 5.1589 8.7438 90 90 120 P31c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	K 0 0 .2532 .980 .0130 .0124 .0124 .0142 .00621 0 0
	AlT1 1/3 2/3 .0619 .0101 .0093 .0093 .0115 .0047 0 0
	SiT2 1/3 2/3 .44386 .0064 .0064 .0064 .0064 .0032 0 0
	O1 1/3 2/3 .2591 .0237 .0302 .0302 .0106 .0151 0 0
	O2 .6196 .0137 1.0032 .0145 .0066 .0104 .0223 .0012 .0001 .0019
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	Kalsilite
	Gatta G D, Angel R J, Carpenter M A
	American Mineralogist 95 (2010) 1027-1034
	Low-temperature behavior of natural kalsilite with P31c symmetry:
	An in situ single-crystal X-ray diffraction study
	Locality: a granulite facies gneiss from the Punalur district in Kerala, India
	T = 225 K
	_database_code_amcsd 0005058
	5.1627 5.1627 8.7392 90 90 120 P31c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	K 0 0 .2530 .985 .0154 .0149 .0149 .0164 .00744 0 0
	AlT1 1/3 2/3 .0619 .0093 .0074 .0074 .0131 .0037 0 0
	SiT2 1/3 2/3 .44384 .0081 .0089 .0089 .0065 .0044 0 0
	O1 1/3 2/3 .2590 .0262 .0341 .0341 .0104 .0170 0 0
	O2 .6190 .0146 1.0043 .0159 .0074 .0108 .0252 .0013 .0012 .0018
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	Kalsilite
	Gatta G D, Angel R J, Carpenter M A
	American Mineralogist 95 (2010) 1027-1034
	Low-temperature behavior of natural kalsilite with P31c symmetry:
	An in situ single-crystal X-ray diffraction study
	Locality: a granulite facies gneiss from the Punalur district in Kerala, India
	T = 275 K
	_database_code_amcsd 0005059
	5.1652 5.1652 8.7326 90 90 120 P31c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	K 0 0 .2532 .986 .0184 .0175 .0175 .0202 .0088 0 0
	AlT1 1/3 2/3 .0620 .0119 .0110 .0110 .0137 .0055 0 0
	SiT2 1/3 2/3 .44378 .0082 .0080 .0080 .0086 .0040 0 0
	O1 1/3 2/3 .2591 .0295 .0386 .0386 .0115 .0193 0 0
	O2 .6173 .0138 1.0036 .0184 .0087 .0131 .0287 .0018 .0001 .0036
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	Anorthoclase
	Nestola F, Curetti N, Benna P, Ivaldi G, Angel R, Bruno E
	The Canadian Mineralogist 46 (2008) 1443-1454
	Compressibility and high-pressure behavior of Ab63Or27An10 anorthoclase
	Locality: Torino, Italy
	Note: P = 0.0001 GPa
	_database_code_amcsd 0006199
	8.278 12.949 7.145 91.79 116.16 90.19 C-1
	atom x y z occ Uiso
	Na .2751 .0027 .1369 .63 .079
	K .2751 .0027 .1369 .27 .079
	Ca .2751 .0027 .1369 .10 .079
	Al10 .0061 .1737 .2165 .275 .023
	Si10 .0061 .1737 .2165 .725 .023
	Al1m .0043 .8178 .2213 .275 .028
	Si1m .0043 .8178 .2213 .725 .028
	Al20 .6969 .1139 .3392 .275 .024
	Si20 .6969 .1139 .3392 .725 .024
	Al2m .6938 .8814 .3492 .275 .022
	Si2m .6938 .8814 .3492 .725 .022
	OA1 .0002 .1362 .9934 .046
	OA2 .6040 .9967 .2817 .034
	OB0 .8262 .1246 .2218 .032
	OBm .8250 .8590 .2378 .037
	OC0 .0212 .2998 .2625 .036
	OCm .0262 .6915 .2441 .044
	OD0 .1889 .1184 .3917 .034
	ODm .1861 .8727 .4065 .049
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	Anorthoclase
	Nestola F, Curetti N, Benna P, Ivaldi G, Angel R, Bruno E
	The Canadian Mineralogist 46 (2008) 1443-1454
	Compressibility and high-pressure behavior of Ab63Or27An10 anorthoclase
	Locality: Torino, Italy
	Note: P = 4.7 GPa
	_database_code_amcsd 0006200
	7.959 12.767 6.999 92.51 116.50 90.69 C-1
	atom x y z occ Uiso
	Na .2616 .0050 .1356 .63 .053
	K .2616 .0050 .1356 .27 .053
	Ca .2616 .0050 .1356 .10 .053
	Al10 .0018 .1674 .2165 .275 .021
	Si10 .0018 .1674 .2165 .725 .021
	Al1m -.0033 .8147 .2247 .275 .021
	Si1m -.0033 .8147 .2247 .725 .021
	Al20 .6850 .1085 .3246 .275 .022
	Si20 .6850 .1085 .3246 .725 .022
	Al2m .6767 .8771 .3568 .275 .021
	Si2m .6767 .8771 .3568 .725 .021
	OA1 .0025 .1351 .9830 .036
	OA2 .5795 .9917 .2826 .026
	OB0 .8087 .1058 .1960 .037
	OBm .8072 .8503 .2329 .035
	OC0 -.0012 .2925 .2719 .026
	OCm .0093 .6873 .2235 .024
	OD0 .1901 .1181 .3925 .043
	ODm .1798 .8706 .4101 .030
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	Anorthoclase
	Nestola F, Curetti N, Benna P, Ivaldi G, Angel R, Bruno E
	The Canadian Mineralogist 46 (2008) 1443-1454
	Compressibility and high-pressure behavior of Ab63Or27An10 anorthoclase
	Locality: Torino, Italy
	Note: P = 6.0 GPa
	_database_code_amcsd 0006201
	7.890 12.720 6.960 92.46 116.53 90.83 C-1
	atom x y z occ Uiso
	Na .2593 .0050 .1378 .63 .050
	K .2593 .0050 .1378 .27 .050
	Ca .2593 .0050 .1378 .10 .050
	Al10 .0018 .1666 .2208 .275 .024
	Si10 .0018 .1666 .2208 .725 .024
	Al1m -.0071 .8144 .2222 .275 .020
	Si1m -.0071 .8144 .2222 .725 .020
	Al20 .6838 .1074 .3259 .275 .022
	Si20 .6838 .1074 .3259 .725 .022
	Al2m .6716 .8764 .3518 .275 .022
	Si2m .6716 .8764 .3518 .725 .022
	OA1 .0047 .1351 .9871 .036
	OA2 .5737 .9908 .2765 .026
	OB0 .8045 .1038 .1936 .048
	OBm .7976 .8494 .2201 .040
	OC0 -.0095 .2925 .2700 .026
	OCm .0052 .6872 .2226 .030
	OD0 .1928 .1179 .3950 .049
	ODm .1752 .8713 .4119 .038
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	Nepheline
	Angel R J, Gatta G C, Boffa Ballaran T, Carpenter M A
	The Canadian Mineralogist 46 (2008) 1465-1476
	The mechanism of coupling in the modulated structure of nepheline
	Locality: Snipe River, Tambani, Malawi
	Note: natural sample
	Note: T = 110 K
	_database_code_amcsd 0006202
	9.9820 9.9820 8.3670 90 90 120 P6_3
	atom x y z occ Uiso
	K 0 0 .0031 .57 .024
	Na1 0 0 .0031 .24 .024
	Na2 .5547 .9971 .5082 .017
	Al1 2/3 1/3 .7014 .48 .010
	Si1 2/3 1/3 .7014 .52 .010
	Al2 2/3 1/3 .3137 .48 .012
	Si2 2/3 1/3 .3137 .52 .012
	Al3 .9064 .6660 .8222 .48 .012
	Si3 .9064 .6660 .8222 .52 .012
	Al4 .9071 .6672 .1959 .48 .010
	Si4 .9071 .6672 .1959 .52 .010
	O1 .6611 .2825 .5005 1/3 .024
	O2 .9734 .6822 .0022 .034
	O3 .8270 .4774 .2518 .038
	O4 .8374 .4891 .7613 .032
	O5 .7736 .7143 .8253 .016
	O6 .7765 .7329 .2012 .018
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	Nepheline
	Angel R J, Gatta G C, Boffa Ballaran T, Carpenter M A
	The Canadian Mineralogist 46 (2008) 1465-1476
	The mechanism of coupling in the modulated structure of nepheline
	Locality: Snipe River, Tambani, Malawi
	Note: natural sample
	Note: T = 200 K
	_database_code_amcsd 0006203
	9.9890 9.9890 8.3687 90 90 120 P6_3
	atom x y z occ Uiso
	K 0 0 .0034 .57 .028
	Na1 0 0 .0034 .24 .028
	Na2 .5545 .9972 .5081 .021
	Al1 2/3 1/3 .7014 .48 .012
	Si1 2/3 1/3 .7014 .52 .012
	Al2 2/3 1/3 .3134 .48 .013
	Si2 2/3 1/3 .3134 .52 .013
	Al3 .9061 .6660 .8223 .48 .013
	Si3 .9061 .6660 .8223 .52 .013
	Al4 .9068 .6675 .1959 .48 .011
	Si4 .9068 .6675 .1959 .52 .011
	O1 .6620 .2858 .5015 1/3 .028
	O2 .9734 .6830 .0027 .033
	O3 .8269 .4775 .2516 .037
	O4 .8373 .4896 .7629 .033
	O5 .7736 .7145 .8249 .018
	O6 .7765 .7330 .2011 .021
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	Nepheline
	Angel R J, Gatta G C, Boffa Ballaran T, Carpenter M A
	The Canadian Mineralogist 46 (2008) 1465-1476
	The mechanism of coupling in the modulated structure of nepheline
	Locality: Snipe River, Tambani, Malawi
	Note: natural sample
	Note: T = 290 K
	_database_code_amcsd 0006204
	9.9995 9.9995 8.3766 90 90 120 P6_3
	atom x y z occ Uiso
	K 0 0 .0037 .57 .033
	Na1 0 0 .0037 .24 .033
	Na2 .5541 .9972 .5080 .025
	Al1 2/3 1/3 .7015 .48 .013
	Si1 2/3 1/3 .7015 .52 .013
	Al2 2/3 1/3 .3132 .48 .014
	Si2 2/3 1/3 .3132 .52 .014
	Al3 .9057 .6661 .8224 .48 .014
	Si3 .9057 .6661 .8224 .52 .014
	Al4 .9064 .6676 .1959 .48 .012
	Si4 .9064 .6676 .1959 .52 .012
	O1 .6620 .2891 .5013 1/3 .033
	O2 .9729 .6835 .0027 .034
	O3 .8265 .4775 .2514 .038
	O4 .8367 .4898 .7642 .034
	O5 .7737 .7147 .8241 .020
	O6 .7760 .7329 .2011 .023
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	Nepheline
	Angel R J, Gatta G C, Boffa Ballaran T, Carpenter M A
	The Canadian Mineralogist 46 (2008) 1465-1476
	The mechanism of coupling in the modulated structure of nepheline
	Locality: Snipe River, Tambani, Malawi
	Note: annealed
	Note: T = 220 K
	_database_code_amcsd 0006205
	9.9751 9.9751 8.3658 90 90 120 P6_3
	atom x y z occ Uiso
	K 0 0 .0031 .57 .028
	Na1 0 0 .0031 .24 .028
	Na2 .5547 .9979 .5081 .020
	Al1 2/3 1/3 .7017 .48 .011
	Si1 2/3 1/3 .7017 .52 .011
	Al2 2/3 1/3 .3124 .48 .012
	Si2 2/3 1/3 .3124 .52 .012
	Al3 .9066 .6664 .8226 .48 .011
	Si3 .9066 .6664 .8226 .52 .011
	Al4 .9071 .6679 .1958 .48 .010
	Si4 .9071 .6679 .1958 .52 .010
	O1 .6640 .2910 .5023 1/3 .028
	O2 .9743 .6842 .0022 .028
	O3 .8272 .4773 .2512 .033
	O4 .8373 .4896 .7645 .029
	O5 .7739 .7145 .8252 .016
	O6 .7767 .7335 .2007 .018
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	Nepheline
	Angel R J, Gatta G C, Boffa Ballaran T, Carpenter M A
	The Canadian Mineralogist 46 (2008) 1465-1476
	The mechanism of coupling in the modulated structure of nepheline
	Locality: Snipe River, Tambani, Malawi
	Note: annealed
	Note: T = 150 K
	_database_code_amcsd 0006206
	9.9698 9.9698 8.3615 90 90 120 P6_3
	atom x y z occ Uiso
	K 0 0 .0029 .57 .024
	Na1 0 0 .0029 .24 .024
	Na2 .5550 .9978 .5082 .017
	All 2/3 1/3 .7017 .48 .01
	Sil 2/3 1/3 .7017 .52 .01
	Al2 2/3 1/3 .3124 .48 .011
	Si2 2/3 1/3 .3124 .52 .011
	Al3 .9067 .6662 .8226 .48 .010
	Si3 .9067 .6662 .8226 .52 .010
	Al4 .9073 .6677 .1958 .48 .009
	Si4 .9073 .6677 .1958 .52 .009
	O1 .6623 .2875 .5015 1/3 .024
	O2 .9745 .6837 .0023 .028
	O3 .8273 .4771 .2517 .033
	O4 .8377 .4894 .7635 .029
	O5 .7739 .7143 .8255 .014
	O6 .7767 .7333 .2008 .016
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	Nepheline
	Angel R J, Gatta G C, Boffa Ballaran T, Carpenter M A
	The Canadian Mineralogist 46 (2008) 1465-1476
	The mechanism of coupling in the modulated structure of nepheline
	Locality: Snipe River, Tambani, Malawi
	Note: annealed
	Note: T = 100 K
	_database_code_amcsd 0006207
	9.9685 9.9685 8.3608 90 90 120 P6_3
	atom x y z occ Uiso
	K 0 0 .0028 .57 .022
	Na1 0 0 .0028 .24 .022
	Na2 .5551 .9976 .5085 .015
	Al1 2/3 1/3 .7017 .48 .009
	Si1 2/3 1/3 .7017 .52 .009
	Al2 2/3 1/3 .3124 .48 .010
	Si2 2/3 1/3 .3124 .52 .010
	Al3 .9067 .6661 .8225 .48 .010
	Si3 .9067 .6661 .8225 .52 .010
	Al4 .9074 .6675 .1958 .48 .008
	Si4 .9074 .6675 .1958 .52 .008
	O1 .6605 .2846 .5008 1/3 .021
	O2 .9743 .6830 .0023 .029
	O3 .8273 .4771 .2518 .033
	O4 .8379 .4894 .7624 .034
	O5 .7736 .7141 .8257 .014
	O6 .7769 .7333 .2011 .015
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	Nepheline
	Angel R J, Gatta G C, Boffa Ballaran T, Carpenter M A
	The Canadian Mineralogist 46 (2008) 1465-1476
	The mechanism of coupling in the modulated structure of nepheline
	Locality: Snipe River, Tambani, Malawi
	Note: annealed
	Note: T = 15 K
	_database_code_amcsd 0006208
	9.9801 9.9801 8.3707 90 90 120 P6_3
	atom x y z occ Uiso
	K 0 0 .0037 .57 .022
	Na1 0 0 .0037 .24 .022
	Na2 .5554 .9976 .5086 .017
	Al1 2/3 1/3 .7010 .48 .012
	Si1 2/3 1/3 .7010 .52 .012
	Al2 2/3 1/3 .3136 .48 .014
	Si2 2/3 1/3 .3136 .52 .014
	Al3 .9067 .6658 .8222 .48 .014
	Si3 .9067 .6658 .8222 .52 .014
	Al4 .9073 .6671 .1961 .48 .012
	Si4 .9073 .6671 .1961 .52 .012
	O1 .6602 .2797 .5053 1/3 .023
	O2 .9732 .6814 .0034 .035
	O3 .8287 .4781 .2515 .038
	O4 .8365 .4889 .7610 .034
	O5 .7746 .7152 .8251 .019
	O6 .7762 .7315 .2007 .020
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	Nepheline
	Angel R J, Gatta G C, Boffa Ballaran T, Carpenter M A
	The Canadian Mineralogist 46 (2008) 1465-1476
	The mechanism of coupling in the modulated structure of nepheline
	Locality: Snipe River, Tambani, Malawi
	Note: annealed
	Note: T = 298 K
	_database_code_amcsd 0006209
	9.9867 9.9861 8.3697 90 90 120 P6_3
	atom x y z occ Uiso
	K 0 0 .0030 .57 .032
	Na1 0 0 .0030 .24 .032
	Na2 .5545 .9980 .5080 .024
	Al1 2/3 1/3 .7018 .48 .012
	Si1 2/3 1/3 .7018 .52 .012
	Al2 2/3 1/3 .3123 .48 .013
	Si2 2/3 1/3 .3123 .52 .013
	Al3 .9063 .6665 .8226 .48 .012
	Si3 .9063 .6665 .8226 .52 .012
	Al4 .9067 .6680 .1959 .48 .010
	Si4 .9067 .6680 .1959 .52 .010
	O1 .6660 .2950 .5021 1/3 .030
	O2 .9739 .6845 .0022 .028
	O3 .8267 .4773 .2508 .033
	O4 .8371 .4898 .7651 .030
	O5 .7739 .7148 .8246 .018
	O6 .7764 .7334 .2008 .021
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	Sinhalite
	Hayward C L, Angel R J, Ross N L
	European Journal of Mineralogy 6 (1994) 313-321
	The structural redetermination and crystal chemistry
	of sinhalite, MgAlBO4
	_database_code_amcsd 0006536
	4.3320 9.8819 5.6813 90 90 90 Pbnm
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	AlM1 0 0 0 .40 .0059 .00103 .0027 -.00027 -.0005 -.00001
	AlM2 -.01468 .27606 1/4 .05 .41 .0062 .00094 .0031 .00007 0 0
	MgM2 -.01468 .27606 1/4 .92 .41 .0062 .00094 .0031 .00007 0 0
	FeM2 -.01468 .27606 1/4 .015 .41 .0062 .00094 .0031 .00007 0 0
	B .4085 .0874 1/4 .43 .0058 .0010 .0037 -.0002 0 0
	O1 .7410 .08063 1/4 .44 .0051 .00127 .0033 -.0000 0 0
	O2 .2566 .44414 1/4 .41 .0062 .00091 .0032 -.0001 0 0
	O3 .2647 .14876 .0385 .44 .0065 .00106 .0032 -.00015 -.0002 .00025
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	Microcline
	Allan D R, Angel R J
	European Journal of Mineralogy 9 (1997) 263-275
	A high-pressure structural study of microcline (KAlSi3O8) to 7 GPa
	P = 0.0 GPa
	_database_code_amcsd 0006649
	8.5733 12.9375 7.2075 90.530 115.972 87.968 C-1
	atom x y z occ Biso
	KM .2841 -.0071 .1367 .986 1.97
	NaM .2841 -.0071 .1367 .014 1.97
	AlT1o .0102 .1881 .2180 .944 1.30
	SiT1o .0102 .1881 .2180 .056 1.30
	AlT1m .0088 .8182 .2315 .068 1.30
	SiT1m .0088 .8182 .2315 .932 1.30
	AlT2o .7105 .1206 .3405 .009 1.30
	SiT2o .7105 .1206 .3405 .991 1.30
	AlT2m .7069 .8864 .3497 .009 1.34
	SiT2m .7069 .8864 .3497 .991 1.34
	Oa1 .0017 .1406 -.0157 1.73
	Oa2 .6396 .0050 .2859 1.51
	Obo .8211 .1499 .2205 1.96
	Obm .8324 .8558 .2380 2.08
	Oco .0347 .3214 .2530 1.78
	Ocm .0384 .6912 .2684 1.65
	Odo .1884 .1253 .4045 1.59
	Odm .1768 .8700 .4102 1.67
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	Microcline
	Allan D R, Angel R J
	European Journal of Mineralogy 9 (1997) 263-275
	A high-pressure structural study of microcline (KAlSi3O8) to 7 GPa
	P = 1.4 GPa
	_database_code_amcsd 0006650
	8.4812 12.930 7.1784 90.436 116.163 87.97 C-1
	atom x y z occ Biso
	KM .2792 -.0049 .1372 .986 2.19
	NaM .2792 -.0049 .1372 .014 2.19
	AlT1o .0060 .1886 .2176 .944 1.38
	SiT1o .0060 .1886 .2176 .056 1.38
	AlT1m .0062 .8202 .2306 .068 1.32
	SiT1m .0062 .8202 .2306 .932 1.32
	AlT2o .7061 .1205 .3395 .009 1.31
	SiT2o .7061 .1205 .3395 .991 1.31
	AlT2m .7021 .8861 .3479 .009 1.43
	SiT2m .7021 .8861 .3479 .991 1.43
	Oa1 .0023 .1410 -.0144 1.82
	Oa2 .6294 .0086 .2862 1.71
	Obo .8165 .1475 .2175 1.62
	Obm .8260 .8611 .2333 2.48
	Oco .0298 .3194 .2537 1.63
	Ocm .0327 .6918 .2703 1.78
	Odo .1900 .1229 .4066 1.77
	Odm .1749 .8734 .4127 1.91
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	Microcline
	Allan D R, Angel R J
	European Journal of Mineralogy 9 (1997) 263-275
	A high-pressure structural study of microcline (KAlSi3O8) to 7 GPa
	P = 2.9 GPa
	_database_code_amcsd 0006651
	8.3722 12.899 7.1328 90.38 116.290 87.93 C-1
	atom x y z occ Biso
	KM .2752 -.0063 .1366 .986 2.15
	NaM .2752 -.0063 .1366 .014 2.15
	AlT1o .0024 .1890 .2171 .944 1.32
	SiT1o .0024 .1890 .2171 .056 1.32
	AlT1m .0037 .8183 .2286 .068 1.40
	SiT1m .0037 .8183 .2286 .932 1.40
	AlT2o .7018 .1199 .3394 .009 1.27
	SiT2o .7018 .1199 .3394 .991 1.27
	AlT2m .6972 .8868 .3476 .009 1.38
	SiT2m .6972 .8868 .3476 .991 1.38
	Oa1 -.0012 .1437 -.0145 1.63
	Oa2 .6230 .0081 .2865 1.71
	Obo .8066 .1479 .2114 1.85
	Obm .8201 .8611 .2270 2.45
	Oco .0240 .3189 .2548 2.14
	Ocm .0289 .6932 .2731 1.68
	Odo .1856 .1234 .4065 2.00
	Odm .1758 .8742 .4122 1.83
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	Microcline
	Allan D R, Angel R J
	European Journal of Mineralogy 9 (1997) 263-275
	A high-pressure structural study of microcline (KAlSi3O8) to 7 GPa
	P = 4.4 GPa
	_database_code_amcsd 0006652
	8.276 12.878 7.0936 90.38 116.372 87.89 C-1
	atom x y z occ Biso
	KM .2698 -.0058 .1387 .986 1.91
	NaM .2698 -.0058 .1387 .014 1.91
	AlT1o -.0014 .1884 .2166 .944 1.31
	SiT1o -.0014 .1884 .2166 .056 1.31
	AlT1m -.0011 .8207 .2297 .068 1.44
	SiT1m -.0011 .8207 .2297 .932 1.44
	AlT2o .6969 .1208 .3376 .009 1.42
	SiT2o .6969 .1208 .3376 .991 1.42
	AlT2m .6931 .8865 .3475 .009 1.48
	SiT2m .6931 .8865 .3475 .991 1.48
	Oa1 .0002 .1454 -.0141 1.99
	Oa2 .6164 .0087 .2887 2.03
	Obo .8014 .1445 .2038 1.81
	Obm .8124 .8590 .2180 2.15
	Oco .0182 .3182 .2592 2.20
	Ocm .0227 .6919 .2768 1.91
	Odo .1807 .1242 .4063 1.86
	Odm .1695 .8760 .4119 2.04
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	Microcline
	Allan D R, Angel R J
	European Journal of Mineralogy 9 (1997) 263-275
	A high-pressure structural study of microcline (KAlSi3O8) to 7 GPa
	P = 6.2 GPa
	_database_code_amcsd 0006653
	8.1578 12.8558 7.0406 90.49 116.616 87.86 C-1
	atom x y z occ Biso
	KM .2652 -.0056 .1412 .986 2.18
	NaM .2652 -.0056 .1412 .014 2.18
	AlT1o -.0065 .1907 .2149 .944 1.32
	SiT1o -.0065 .1907 .2149 .056 1.32
	AlT1m -.0063 .8196 .2295 .068 1.49
	SiT1m -.0063 .8196 .2295 .932 1.49
	AlT2o .6955 .1177 .3369 .009 1.57
	SiT2o .6955 .1177 .3369 .991 1.57
	AlT2m .6890 .8853 .3459 .009 1.54
	SiT2m .6890 .8853 .3459 .991 1.54
	Oa1 .0051 .1470 -.0111 1.76
	Oa2 .6072 .0173 .2928 2.20
	Obo .7916 .1474 .1924 1.91
	Obm .7979 .8639 .2063 1.75
	Oco .0111 .3195 .2661 2.12
	Ocm .0147 .6992 .2820 2.19
	Odo .1731 .1252 .4064 1.83
	Odm .1630 .8775 .4134 2.17
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