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	Phoenicochroite
	Williams S A, McLean W J, Anthony J W
	American Mineralogist 55 (1970) 784-792
	A study of phoenicochroite - its structure and properties
	14.001 5.675 7.137 90 115.22 90 C2/m
	atom x y z Biso
	Pb1 .4794 0 .2328 .82
	Pb2 .3569 .5 .3870 .94
	Cr .1693 0 .1593 .97
	O1 .0930 0 .8984 2.8
	O2 .2989 0 .2005 1.4
	O3 .1448 .2345 .2662 2.6
	O4 .5 .2413 .5 2.0
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	Hemihedrite
	McLean W J, Anthony J W
	American Mineralogist 55 (1970) 1103-1114
	The crystal structure of hemihedrite
	9.497 11.443 10.841 120.50 92.10 55.83 P-1
	atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Pb1 .2591 .1116 .2594 .0060 .0051 .0040 -.0031 -.0009 .0016
	Pb2 .2616 .0862 .6568 .0043 .0039 .0039 -.0021 -.0007 .0019
	Pb3 .9306 .2442 .0306 .0052 .0045 .0041 -.0028 -.0010 .0022
	Pb4 .7307 .4165 .7513 .0078 .0070 .0058 -.0045 -.0028 .0044
	Pb5 .3171 .4530 .5316 .0072 .0071 .0048 -.0052 -.0030 .0040
	Zn 0 .5 0 .0051 .0047 .0036 -.0031 -.0015 .0024
	Cr1 .9591 .0752 .3555 .0067 .0053 .0045 -.0042 -.0017 .0026
	Cr2 .5642 .1758 .1535 .0047 .0047 .0040 -.0023 -.0012 .0028
	Cr3 .4470 .3246 .8369 .0041 .0041 .0040 -.0022 -.0008 .0019
	Si .0229 .4516 .6594 .0033 .0010 .0010 -.0008 .0001 .0004
	O1 .7535 .2193 .4835 2.12
	O2 .1079 .0778 .4436 2.38
	O3 .9940 .1184 .7361 1.92
	O4 .9677 .1120 .2294 2.36
	O5 .5101 .1407 .2712 1.54
	O6 .4318 .1992 .0573 2.16
	O7 .7772 .0082 .0274 2.06
	O8 .5405 .3585 .2686 1.76
	O9 .5990 .2969 .9141 1.87
	O10 .4559 .3985 .7442 2.45
	O11 .2385 .4815 .9767 .97
	O12 .4794 .1360 .7183 1.54
	O13 .2089 .3053 .5120 1.60
	O14 .0421 .3859 .7677 1.20
	O15 .9931 .3717 .2568 .92
	O16 .8475 .4788 .6134 1.18
	F .1425 .2488 .9318 .87
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	Chondrodite
	Gibbs G V, Ribbe P H, Anderson C P
	American Mineralogist 55 (1970) 1182-1194
	The crystal structures of the humite minerals. II. Chondrodite
	4.7284 10.2539 7.8404 109.059 90 90 P2_1/b
	atom x y z occ Biso
	Mg1 .5 0 .5 .95 .49
	Fe1 .5 0 .5 .05 .49
	Mg2 .0091 .1731 .3055 .45
	Mg3 .4915 .8867 .0791 .43
	Si .0768 .1441 .7038 .20
	O1 .7787 .0009 .2937 .36
	O2 .7280 .2404 .1252 .40
	O3 .2255 .1682 .5275 .35
	O4 .2649 .8546 .2943 .42
	OH .2656 .0582 .1018 .35 .50
	F .2656 .0582 .1018 .65 .50
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	Legrandite
	McLean W J, Anthony J W, Finney J J, Laughon R B
	American Mineralogist 56 (1971) 1147-1154
	The crystal structure of legrandite
	12.805 7.933 10.215 90 104.388 90 P2_1/c
	atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	As1 .1499 .0548 .2202 .000829 .001470 .000817 -.000076 -.000020 .000191
	As2 .3853 .4221 .2140 .000829 .001510 .000766 .000102 .000102 -.000350
	Zn1 .4031 .0500 .3896 .001430 .003416 .001813 -.000076 -.000122 .000064
	Zn2 .2529 .3314 .4625 .001024 .003377 .002043 -.000178 .000081 -.000191
	Zn3 .3620 .8063 .1282 .001706 .001986 .001992 .000102 -.000102 .000573
	Zn4 .0100 .2417 .4408 .001479 .004846 .002502 -.000025 .000428 -.000223
	O1 .269 .955 .260 .002048 .003218 .001685 .001347 -.000183 -.000924
	O2 .140 .159 .073 .001349 .003297 .000715 .000965 -.000774 -.000637
	O3 .133 .188 .340 .000211 .009375 .001787 -.000991 .000000 -.000924
	O4 .050 .913 .200 .002519 .003575 .002298 -.002185 .000978 -.002007
	O5 .479 .950 .241 .001625 .003337 .002196 -.000864 .000815 -.002612
	O6 .352 .344 .057 .003543 .004211 -.000562 -.000584 .000957 -.002484
	O7 .344 .290 .320 .001609 .001708 .001583 -.000432 .001589 .004077
	O8 .320 .608 .218 .002178 .003655 .002017 .001042 .000550 .000701
	O9 .081 .534 .143 .003071 .006555 .006052 -.000407 .000957 .003026
	O10 .448 .663 .014 .001381 .003774 .001634 .001194 .000265 -.000159
	O11 .275 .578 .468 .003153 .006952 .001226 .000152 .001446 -.000733
	O12 .089 .731 .435 .002698 .010090 .005439 .000381 .000407 .000064
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	Fluorapophyllite
	Colville A A, Anderson C P, Black P M
	American Mineralogist 56 (1971) 1222-1233
	Refinement of the crystal structure of apophyllite I. X-ray diffraction and
	physical properties
	8.963 8.963 15.804 90 90 90 P4/mnc
	atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	K 0 0 .5 .84 .006224 .006224 .004985 0 0 0
	Na 0 0 .5 .16 .006224 .006224 .004985 0 0 0
	Ca .1102 .2460 0 .001805 .002116 .000601 .000199 0 0
	Si .2258 .0864 .1900 .001712 .001712 .000801 -.000093 -.000300 .000000
	O1 .3635 .1365 .25 .002490 .002490 .000601 -.000311 -.000406 -.000406
	O2 .0843 .1899 .2177 .002116 .003205 .001782 .000996 -.000106 -.000600
	O3 .2642 .1020 .0923 .003019 .003112 .001001 .000311 -.000406 -.000194
	F 0 0 0 .001712 .001712 .002893 0 0 0
	Wat4 .2128 .4498 .0900 .008216 .003517 .001501 -.000405 -.000106 -.000706
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	Connellite
	McLean W J, Anthony J W
	American Mineralogist 57 (1972) 426-438
	The disordered, "zeolite-like" structure of connellite
	15.78 15.78 9.10 90 90 120 P-62c
	atom x y z occ Biso
	Cu1 .2032 0 .5 .5 1.1
	Cu1A .7986 0 .5 .5 1.3
	Cu2 .3595 .0149 .25 .5 1.6
	Cu2A .3591 .3415 .25 .5 0.8
	Cu3 .3349 .1678 .75 .5 1.2
	Cu4 .5012 0 .5 .5 1.2
	Cu5 0 0 0 .048 1.26
	S .6667 .3333 .25 .133 2.0
	Cl1 .2767 .1418 .25 .5 0.9
	Cl2 .562 .451 .75 .167 1.8
	N .6667 .3333 .25 .034 2.0
	OH1 .451 .077 .092 0.5
	OH1A .450 .366 .088 0.2
	OH3 .324 .067 .615 0.0
	OH3A .329 .254 .599 0.9
	OH5 .152 .080 .594 1.8
	OH7 .562 .451 .75 .333 1.8
	O8 .636 .268 .1184 .267 2.5
	O9 .622 .396 .25 .133 2.5
	O10 .775 .396 .25 .133 2.5
	O11 .622 .244 .25 .100 2.5
	OH12 .512 .258 .695 .5 5.6
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	Yavapaiite
	Anthony J W, McLean W J, Laughon R B
	American Mineralogist 57 (1972) 1546-1549
	The crystal structure of yavapaiite: A discussion
	8.150 5.162 7.855 90 94.87 90 C2/m
	atom x y z Biso
	Fe 0 0 0 .45
	K 0 0 .5 1.50
	S .3700 0 .2020 .47
	O1 .2369 0 .0628 .89
	O2 .3124 0 .3700 1.49
	O3 .4741 .2330 .1810 1.08
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	Reichenbachite
	Anderson J B, Shoemaker G L, Kostiner E, Ruszala F A
	American Mineralogist 62 (1977) 115-121
	The crystal structure of synthetic Cu5(PO4)2(OH)4, a polymorph of
	pseudomalachite
	9.186 10.684 4.461 90 92.31 90 P2_1/a
	atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Cu1 0 0 0 .001632 .000920 .017239 0 .002444 0
	Cu2 .36470 .07582 .02040 .000772 .000810 .017616 .000229 -.000122 -.001050
	Cu3 .13548 .26393 .03540 .001128 .000767 .015225 .000382 -.001039 -.000735
	P .38740 .29890 .47930 .000712 .000723 .011199 -.000178 .000122 -.000157
	O1 -.0023 .1282 .2997 .001513 .001577 .016861 .000229 .000000 -.001627
	O2 .2932 .2155 .2560 .000920 .000964 .013841 -.000051 -.001100 -.000892
	O3 .2896 .3826 .6570 .003086 .001424 .020636 .000535 .002933 -.001732
	O4 .4725 .2051 .6834 .001424 .001292 .013967 -.000484 -.001283 .000945
	O5 .0724 .4202 .1625 .001246 .000635 .016106 -.000204 .000978 -.000052
	O6 .1687 .0890 -.1646 .001039 .000131 .016484 -.000459 .000917 -.001155
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	Pseudomalachite
	Shoemaker G L, Anderson J B, Kostiner E
	American Mineralogist 62 (1977) 1042-1048
	Refinement of the crystal structure of pseudomalachite
	4.4728 5.7469 17.032 90 91.043 90 P2_1/c
	atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Cu1 0 0 0 .015626 .007418 .001138 0 .001412 0
	Cu2 .0461 .4726 .08560 .014751 .009538 .000655 .003210 -.000098 .000102
	Cu3 -.0171 .3287 .25705 .015501 .006586 .000922 -.000973 -.001280 .000204
	P .5255 .0942 .13480 .009375 .007418 .000638 -.000097 -.000098 .000000
	O1 .7109 .1561 .0622 .014500 .011733 .000879 .000973 .000854 .000102
	O2 .3242 .3059 .1511 .015251 .009538 .000776 .005545 -.000263 -.000230
	O3 .7405 .0762 .2077 .014876 .006510 .000853 .000195 -.001149 .000204
	O4 .3487 .8725 .1247 .017501 .011354 .001535 -.002918 -.000788 -.000026
	OH5 .1722 .3201 -.0142 .012000 .008554 .000793 .001362 .000000 .000128
	OH6 .1521 .0719 .3166 .011000 .006207 .000707 -.000875 -.000427 .000281
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	Ludjibaite
	Shoemaker G L, Anderson J B, Kostiner E
	American Mineralogist 66 (1981) 169-175
	The crystal structure of a third polymorph of Cu5(PO4)2(OH)4
	Note: related to pseudomalachite and ludjibaite
	4.445 5.873 8.668 103.62 90.35 93.02 P-1
	atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Cu1 0 .5 .5 .010281 .003926 .003489 -.000494 -.002876 .000156
	Cu2 0 0 0 .009393 .004080 .001762 -.001878 -.000669 .001042
	Cu3 0 .5 0 .011170 .003310 .003947 -.000593 .003678 .000729
	Cu4 .03434 -.03012 .32894 .011677 .006158 .001515 -.003657 .000201 .000781
	P .5087 .3265 .22657 .005458 .004080 .001868 -.000692 .000268 .000521
	O1 .6980 .3087 .0767 .012820 .006543 .002502 -.002471 .002274 .001198
	O2 .7054 .2946 .3657 .010154 .006774 .002925 -.002471 -.002608 .001302
	O3 .2844 .1029 .1873 .009900 .007390 .002114 -.004646 .000067 .000781
	O4 .6632 .4524 .7330 .012693 .006466 .005815 .003756 .000869 .000521
	OH5 .1695 .1955 .5272 .007743 .005388 .002114 -.000988 -.000535 .001198
	OH6 .1551 .2078 .8721 .006981 .004618 .001938 -.000593 .000669 .000781
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	Amesite
	Anderson C S, Bailey S W
	American Mineralogist 66 (1981) 185-195
	A new cation ordering pattern in amesite-2H2
	Locality: Saranovskoye chromite deposit, North Urals Mountains, USSR
	5.307 9.195 14.067 90.1 90.3 90 C1
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Si1 0 0 .0410 .513 0.0136 0.0035 0.0014 0.0013 0.0003 -.0001
	Al1 0 0 .0410 .486 0.0136 0.0035 0.0014 0.0013 0.0003 -.0001
	Si2 .0023 .3339 .0425 .513 0.0122 0.0031 0.0016 0.0008 0.0005 -.0002
	Al2 .0023 .3339 .0425 .486 0.0122 0.0031 0.0016 0.0008 0.0005 -.0002
	Si11 .0136 .0058 .5410 .513 0.0137 0.0031 0.0016 0.0012 0.0003 -.0001
	Al11 .0136 .0058 .5410 .486 0.0137 0.0031 0.0016 0.0012 0.0003 -.0001
	Si22 .5073 .1709 .5424 .513 0.0139 0.0032 0.0013 0.0006 0.0001 -.0001
	Al22 .5073 .1909 .5024 .486 0.0139 0.0032 0.0013 0.0006 0.0001 -.0001
	Mg1 .1695 .1683 .2377 .654 0.0115 0.0032 0.0015 0.0004 0.0005 0.0000
	Al1 .1695 .1683 .2377 .339 0.0115 0.0032 0.0015 0.0004 0.0005 0.0000
	Mg2 .6698 -.0031 .2374 .654 0.0135 0.0039 0.0018 0.0008 0.0002 -.0001
	Al2 .6698 -.0031 .2374 .339 0.0135 0.0039 0.0018 0.0008 0.0002 -.0001
	Mg3 .6763 .3335 .2377 .654 0.0116 0.0031 0.0015 0.0010 0.0003 -.0002
	Al3 .6763 .3335 .2377 .339 0.0116 0.0031 0.0015 0.0010 0.0003 -.0002
	Mg11 .3434 .3400 .7380 .654 0.0125 0.0031 0.0016 0.0008 0.0001 -.0003
	Al11 .3434 .3400 .7380 .339 0.0125 0.0031 0.0016 0.0008 0.0001 -.0003
	Mg22 .3433 .0115 .7367 .654 0.0132 0.0030 0.0015 0.0004 0.0002 0.0000
	Al22 .3433 .0115 .7367 .339 0.0132 0.0030 0.0015 0.0004 0.0002 0.0000
	Mg33 .8372 .1750 .7381 .654 0.0130 0.0032 0.0016 0.0012 0.0002 -.0001
	Al33 .8372 .1750 .7381 .339 0.0130 0.0032 0.0016 0.0012 0.0002 -.0001
	O1 -.0047 -.0019 .1585 0.0220 0.0059 0.0014 0.0020 -.0002 -.0002
	O2 .0066 .3351 .1659 0.0150 0.0040 0.0016 0.0015 0.0001 0.0000
	O3 .9768 .1603 .0025 0.0180 0.0037 0.0022 0.0008 0.0009 -.0004
	O4 .7228 -.0422 .0005 0.0140 0.0048 0.0022 0.0000 0.0001 0.0003
	O5 .7027 .3827 .0023 0.0130 0.0036 0.0022 0.0016 -.0002 -.0003
	O11 .0274 .0092 .6582 0.0160 0.0044 0.0014 0.0013 0.0004 0.0001
	O22 .4979 .1657 .6659 0.0150 0.0040 0.0015 0.0002 0.0003 -.0001
	O33 .2862 .0478 .4983 0.0140 0.0044 0.0022 0.0007 0.0001 -.0010
	O44 .4330 .3447 .5036 0.0180 0.0036 0.0021 0.0018 -.0010 0.0002
	O55 .8071 .1229 .5031 0.0150 0.0039 0.0022 0.0024 0.0009 0.0000
	Oh1 .5071 .1607 .1656 0.0250 0.0078 0.0014 0.0000 0.0005 -.0003
	Oh2 .3447 .0004 .3062 0.0230 0.0066 0.0015 -.0033 0.0010 -.0004
	Oh3 .3388 .3373 .3071 0.0240 0.0042 0.0015 0.0014 0.0000 0.0002
	Oh4 .8345 .1594 .3067 0.0140 0.0101 0.0014 0.0027 0.0009 0.0005
	Oh11 -.0009 .3523 .6659 0.0200 0.0051 0.0014 0.0014 0.0001 0.0002
	Oh22 .6859 .3562 .8057 0.0160 0.0051 0.0016 0.0003 0.0005 -.0006
	Oh33 .6573 .0078 .8074 0.0180 0.0042 0.0015 0.0003 -.0001 0.0002
	Oh44 .1815 .1651 .8070 0.0210 0.0042 0.0014 0.0020 0.0005 0.0004
	H1 .507 .156 .104 2.
	H2 .304 .037 .365 2.
	H3 .362 .346 .365 2.
	H4 .818 .133 .368 2.
	H11 .982 .387 .624 2.
	H22 .689 .382 .869 2.
	H33 .677 .962 .863 2.
	H44 .145 .151 .871 2.
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	Olivine
	Nord A G, Annersten H, Filippidis A
	American Mineralogist 67 (1982) 1206-1211
	The cation distribution in synthetic Mg-Fe-Ni olivines
	sample H2
	4.762 10.244 5.989 90 90 90 Pbnm
	atom x y z occ Biso
	Ni1 0 0 0 .45 -0.9
	Mg1 0 0 0 .43 -0.9
	Fe1 0 0 0 .12 -0.9
	Mg2 .989 .278 .25 .71 -0.9
	Fe2 .989 .278 .25 .22 -0.9
	Ni2 .989 .278 .25 .07 -0.9
	Si .418 .098 .25 -2.3
	O1 .776 .102 .25 -2.3
	O2 .207 .470 .25 -2.3
	O3 .274 .163 .029 -2.3
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	Olivine
	Nord A G, Annersten H, Filippidis A
	American Mineralogist 67 (1982) 1206-1211
	The cation distribution in synthetic Mg-Fe-Ni olivines
	sample H4
	4.747 10.193 5.951 90 90 90 Pbnm
	atom x y z occ Biso
	Ni1 0 0 0 .68 0.90
	Mg1 0 0 0 .30 0.90
	Fe1 0 0 0 .02 0.90
	Mg2 .986 .277 .25 .72 0.90
	Fe2 .986 .277 .25 .06 0.90
	Ni2 .986 .277 .25 .22 0.90
	Si .426 .096 .25 -0.3
	O1 .779 .101 .25 -0.3
	O2 .207 .458 .25 -0.3
	O3 .265 .167 .035 -0.3
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	Donpeacorite
	Petersen E U, Anovitz L M, Essene E J
	American Mineralogist 69 (1984) 472-480
	Donpeacorite, (Mn,Mg)MgSi2O6, a new orthopyroxene and its proposed phase
	relations in the system MnSiO3-MgSiO3-FeSiO3
	18.384 8.878 5.226 90 90 90 Pbca
	atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Mg1 .3751 .6543 .8721 .00051 0.0025 0.0055 0.00001 -.00010 -.0003
	Mg2 .3776 .4801 .3684 .47 .00066 0.0034 0.0063 -.00011 -.00015 -.0003
	Mn2 .3776 .4801 .3684 .53 .00066 0.0034 0.0063 -.00011 -.00015 -.0003
	SiA .2712 .3413 .0484 .00056 0.0022 0.0052 -.00007 -.00016 0.0003
	SiB .4749 .3382 .7949 .00045 0.0022 0.0060 -.00010 -.00013 0.0002
	O1A .1833 .3379 .0407 .00068 0.0030 0.0061 0.00003 0.00020 -.0008
	O2A .3099 .5022 .0467 .00048 0.0028 0.0087 0.00010 0.00010 -.0001
	O3A .3017 .2292 .8222 .00072 0.0041 0.0071 0.00004 -.00040 -.0003
	O1B .5632 .3402 .7981 .00058 0.0036 0.0041 0.00005 -.00020 0.0003
	O2B .4349 .4872 .7028 .00080 0.0033 0.0119 0.00020 0.00010 0.0015
	O2B .4475 .2050 .5902 .00064 0.0043 0.0082 -.00020 -.00007 -.0021
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	Mullite
	Angel R J, Prewitt C T
	American Mineralogist 71 (1986) 1476-1482
	Crystal structure of mullite: A re-examination of the average structure
	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
	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
	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
	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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	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
	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
	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
	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
	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
	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
	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
	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
	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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	Magnesioferrite
	O'Neill H St C, Annersten H, Virgo D
	American Mineralogist 77 (1992) 725-740
	The temperature dependence of the cation distribution in magnesioferrite
	(MgFe2O4) from powder XRD structural refinements and Mossbauer spectroscopy
	batch 1, anneal T = 400 C using Rietveld method
	8.3805 8.3805 8.3805 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ Biso
	MgT .125 .125 .125 .101 .245
	FeT .125 .125 .125 .899 .245
	MgO .5 .5 .5 .4495 .345
	FeO .5 .5 .5 .5505 .345
	O .2557 .2557 .2557 .475
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	Magnesioferrite
	O'Neill H St C, Annersten H, Virgo D
	American Mineralogist 77 (1992) 725-740
	The temperature dependence of the cation distribution in magnesioferrite
	(MgFe2O4) from powder XRD structural refinements and Mossbauer spectroscopy
	batch 2, anneal T = 450 C using Rietveld method
	8.3806 8.3806 8.3806 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ Biso
	MgT .125 .125 .125 .100 .294
	FeT .125 .125 .125 .900 .294
	MgO .5 .5 .5 .450 .380
	FeO .5 .5 .5 .550 .380
	O .2557 .2557 .2557 .562
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	Magnesioferrite
	O'Neill H St C, Annersten H, Virgo D
	American Mineralogist 77 (1992) 725-740
	The temperature dependence of the cation distribution in magnesioferrite
	(MgFe2O4) from powder XRD structural refinements and Mossbauer spectroscopy
	batch 1, anneal T = 500 C using Rietveld method
	8.3827 8.3827 8.3827 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ Biso
	MgT .125 .125 .125 .116 .253
	FeT .125 .125 .125 .884 .253
	MgO .5 .5 .5 .442 .322
	FeO .5 .5 .5 .558 .322
	O .2560 .2560 .2560 .483
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	Magnesioferrite
	O'Neill H St C, Annersten H, Virgo D
	American Mineralogist 77 (1992) 725-740
	The temperature dependence of the cation distribution in magnesioferrite
	(MgFe2O4) from powder XRD structural refinements and Mossbauer spectroscopy
	batch 2, anneal T = 500 C using Rietveld method
	8.3827 8.3827 8.3827 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ Biso
	MgT .125 .125 .125 .118 .240
	FeT .125 .125 .125 .882 .240
	MgO .5 .5 .5 .441 .331
	FeO .5 .5 .5 .559 .331
	O .2559 .2559 .2559 .500
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	Magnesioferrite
	O'Neill H St C, Annersten H, Virgo D
	American Mineralogist 77 (1992) 725-740
	The temperature dependence of the cation distribution in magnesioferrite
	(MgFe2O4) from powder XRD structural refinements and Mossbauer spectroscopy
	batch 2, anneal T = 550 C using Rietveld method
	8.3845 8.3845 8.3845 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ Biso
	MgT .125 .125 .125 .131 .300
	FeT .125 .125 .125 .869 .300
	MgO .5 .5 .5 .4345 .368
	FeO .5 .5 .5 .5655 .368
	O .2561 .2561 .2561 .471
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	Magnesioferrite
	O'Neill H St C, Annersten H, Virgo D
	American Mineralogist 77 (1992) 725-740
	The temperature dependence of the cation distribution in magnesioferrite
	(MgFe2O4) from powder XRD structural refinements and Mossbauer spectroscopy
	batch 2, anneal T = 600 C using Rietveld method
	8.3863 8.3863 8.3863 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ Biso
	MgT .125 .125 .125 .150 .299
	FeT .125 .125 .125 .850 .299
	MgO .5 .5 .5 .425 .347
	FeO .5 .5 .5 .575 .347
	O .2563 .2563 .2563 .491
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	Magnesioferrite
	O'Neill H St C, Annersten H, Virgo D
	American Mineralogist 77 (1992) 725-740
	The temperature dependence of the cation distribution in magnesioferrite
	(MgFe2O4) from powder XRD structural refinements and Mossbauer spectroscopy
	batch 1, anneal T = 650 C using Rietveld method
	8.3883 8.3883 8.3883 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ Biso
	MgT .125 .125 .125 .168 .278
	FeT .125 .125 .125 .832 .278
	MgO .5 .5 .5 .416 .338
	FeO .5 .5 .5 .584 .338
	O .2566 .2566 .2566 .546
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	Magnesioferrite
	O'Neill H St C, Annersten H, Virgo D
	American Mineralogist 77 (1992) 725-740
	The temperature dependence of the cation distribution in magnesioferrite
	(MgFe2O4) from powder XRD structural refinements and Mossbauer spectroscopy
	batch 2, anneal T = 650 C using Rietveld method
	8.3883 8.3883 8.3883 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ Biso
	MgT .125 .125 .125 .174 .300
	FeT .125 .125 .125 .826 .300
	MgO .5 .5 .5 .413 .368
	FeO .5 .5 .5 .587 .368
	O .2561 .2561 .2561 .471
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	Magnesioferrite
	O'Neill H St C, Annersten H, Virgo D
	American Mineralogist 77 (1992) 725-740
	The temperature dependence of the cation distribution in magnesioferrite
	(MgFe2O4) from powder XRD structural refinements and Mossbauer spectroscopy
	batch 2, anneal T = 700 C using Rietveld method
	8.3899 8.3899 8.3899 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ Biso
	MgT .125 .125 .125 .189 .278
	FeT .125 .125 .125 .811 .278
	MgO .5 .5 .5 .4055 .337
	FeO .5 .5 .5 .5945 .337
	O .2564 .2564 .2564 .411
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	Magnesioferrite
	O'Neill H St C, Annersten H, Virgo D
	American Mineralogist 77 (1992) 725-740
	The temperature dependence of the cation distribution in magnesioferrite
	(MgFe2O4) from powder XRD structural refinements and Mossbauer spectroscopy
	batch 1, anneal T = 750 C using Rietveld method
	8.3914 8.3914 8.3914 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ Biso
	MgT .125 .125 .125 .200 .320
	FeT .125 .125 .125 .800 .320
	MgO .5 .5 .5 .400 .366
	FeO .5 .5 .5 .600 .366
	O .2563 .2563 .2563 .515
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	Magnesioferrite
	O'Neill H St C, Annersten H, Virgo D
	American Mineralogist 77 (1992) 725-740
	The temperature dependence of the cation distribution in magnesioferrite
	(MgFe2O4) from powder XRD structural refinements and Mossbauer spectroscopy
	batch 2, anneal T = 750 C using Rietveld method
	8.3914 8.3914 8.3914 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ Biso
	MgT .125 .125 .125 .206 .317
	FeT .125 .125 .125 .794 .317
	MgO .5 .5 .5 .395 .384
	FeO .5 .5 .5 .603 .384
	O .2563 .2563 .2563 .530
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Magnesioferrite
	O'Neill H St C, Annersten H, Virgo D
	American Mineralogist 77 (1992) 725-740
	The temperature dependence of the cation distribution in magnesioferrite
	(MgFe2O4) from powder XRD structural refinements and Mossbauer spectroscopy
	batch 2, anneal T = 800 C using Rietveld method
	8.3934 8.3934 8.3934 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ Biso
	MgT .125 .125 .125 .218 .327
	FeT .125 .125 .125 .782 .327
	MgO .5 .5 .5 .391 .363
	FeO .5 .5 .5 .609 .363
	O .2564 .2564 .2564 .484
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Magnesioferrite
	O'Neill H St C, Annersten H, Virgo D
	American Mineralogist 77 (1992) 725-740
	The temperature dependence of the cation distribution in magnesioferrite
	(MgFe2O4) from powder XRD structural refinements and Mossbauer spectroscopy
	batch 2, anneal T = 850 C using Rietveld method
	8.3946 8.3946 8.3946 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ Biso
	MgT .125 .125 .125 .228 .328
	FeT .125 .125 .125 .772 .328
	MgO .5 .5 .5 .386 .377
	FeO .5 .5 .5 .614 .377