Wadsleyite
	Baur W H
	American Mineralogist 57 (1972) 709-731
	Computer-simulated crystal structures of observed and hypothetical Mg2SiO4
	Polymorphs of low and high density
	8.16 11.68 5.71 90 90 90 Ibmm
	atom x y z
	Si .1303 .1255 .25
	Mg1 .2297 0 .75
	Mg2 .25 .25 .75
	Mg3 0 .3701 0
	O1 .0300 0 .25
	O2 .4799 0 .75
	O3 .0040 .2348 .25
	O4 .2557 .3751 .0168
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	Wadsleyite
	Horiuchi H, Sawamoto H
	American Mineralogist 66 (1981) 568-575
	Beta-Mg2SiO4: Single-crystal X-ray diffraction study
	case 1
	5.6983 11.4380 8.2566 90 90 90 Imma
	atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Mg1 0 0 0 0.0025 0.0011 0.0017 0 0 0
	Mg2 0 .25 .9701 0.0035 0.0008 0.0013 0 0 0
	Mg3 .25 .1276 .25 0.0030 0.0008 0.0017 0 -.0003 0
	Si1 0 .1198 .6168 0.0016 0.0004 0.0008 0 0 0
	O1 0 .25 .2166 0.0029 0.0007 0.0014 0 0 0
	O2 0 .25 .7164 0.0034 0.0001 0.0013 0 0 0
	O3 0 .9900 .2558 0.0033 0.0005 0.0011 0 0 -.0001
	O4 .2615 .1225 .9925 0.0026 0.0006 0.0013 -.0001 0.0002 0
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	Wadsleyite
	Horiuchi H, Sawamoto H
	American Mineralogist 66 (1981) 568-575
	Beta-Mg2SiO4: Single-crystal X-ray diffraction study
	case 2
	5.6983 11.4380 8.2566 90 90 90 Imma
	atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Si 0 .1198 .6168 .0017 .00045 .0009 0 0 0
	Mg1 0 0 0 .0012 .0007 .0011 0 0 0
	Mg2 0 .25 .9701 .0034 .0008 .0012 0 0 0
	Mg3 .25 .1276 .25 .0028 .0008 .0016 0 -.0003 0
	O1 0 .25 .2166 .0029 .0007 .0014 0 0 0
	O2 0 .25 .7164 .0034 .0002 .0014 0 0 0
	O3 0 .9900 .2559 .0034 .0005 .0011 0 0 -.0001
	O4 .2616 .1225 .9925 .0028 .0006 .0013 -.0001 .0002 0
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	Wadsleyite
	Smyth J R, Kawamoto T, Jacobsen S D, Swope R J, Hervig R L, Holloway J R
	American Mineralogist 82 (1997) 270-275
	Crystal structure of monoclinic hydrous wadsleyite [beta-(Mg,Fe)2SiO4]
	Note: occupancies of octahedral sites are estimates
	5.6715 11.582 8.258 90 90.397 90 *I2/m
	.25 .25 .25
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Mg1 0 0 0 .92 .0242 .0117 .0247 .0006 .0033 .0035
	Mg2 .0012 .25 .9709 .92 .0163 .0104 .0123 0 .0001 0
	Mg3a .25 .1222 .25 .77 .0139 .0175 .0137 0 -.0015 0
	Mg3b .75 .3783 .25 .83 .0149 .0167 .0130 0 .0019 0
	Si1 .0002 .12123 .61558 .92 .0096 .0066 .0088 .0003 0 -.0004
	Si2 .498 .137 .128 .024 .014
	H1 .016 .25 .285 .355 .05
	O1 -.0006 .25 .2256 .012 .016 .017 0 0 0
	O2 -.0008 .25 .7166 .015 .0117 .0133 0 .0004 0
	O3 .0007 .0124 .7436 .016 .0157 .016 .0002 -.0008 -.0001
	O4a .2601 .1242 .9946 .0134 .0100 .0166 .0004 -.0006 .0008
	O4b .7412 .3759 .9956 .0131 .0096 .0159 .0005 .0001 0
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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
	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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	Wadsleyite
	Hazen R M, Weinberger M B, Yang H, Prewitt C T
	American Mineralogist 85 (2000) 770-777
	Comparative high-pressure crystal chemistry of wadsleyite,
	beta-(Mg_1-xFe_x)2SiO4, with x=0 and 0.25
	Sample: P = 0.00 GPa, X = .00
	5.6978 11.4620 8.2571 90 90 90 Imma
	atom x y z
	Mg1 0 0 0
	Mg2 0 .25 .9698
	Mg3 .25 .1269 .25
	Si 0 .1199 .6165
	O1 0 .25 .2182
	O2 0 .25 .7157
	O3 0 .9898 .2565
	O4 .2601 .1226 .9931
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	Wadsleyite
	Hazen R M, Weinberger M B, Yang H, Prewitt C T
	American Mineralogist 85 (2000) 770-777
	Comparative high-pressure crystal chemistry of wadsleyite,
	beta-(Mg_1-xFe_x)2SiO4, with x=0 and 0.25
	Sample: P = 2.72 GPa, X = .00
	5.6731 11.4114 8.2067 90 90 90 Imma
	atom x y z
	Mg1 0 0 0
	Mg2 0 .25 .9708
	Mg3 .25 .1274 .25
	Si 0 .1201 .6170
	O1 0 .25 .2197
	O2 0 .25 .7162
	O3 0 .9890 .2557
	O4 .2597 .1216 .9928
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	Wadsleyite
	Hazen R M, Weinberger M B, Yang H, Prewitt C T
	American Mineralogist 85 (2000) 770-777
	Comparative high-pressure crystal chemistry of wadsleyite,
	beta-(Mg_1-xFe_x)2SiO4, with x=0 and 0.25
	Sample: P = 5.23 GPa, X = .00
	5.6515 11.3688 8.1630 90 90 90 Imma
	atom x y z
	Mg1 0 0 0
	Mg2 0 .25 .9711
	Mg3 .25 .1273 .25
	Si 0 .1199 .6170
	O1 0 .25 .2204
	O2 0 .25 .7184
	O3 0 .9900 .2549
	O4 .2601 .1226 .9927
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	Wadsleyite
	Hazen R M, Weinberger M B, Yang H, Prewitt C T
	American Mineralogist 85 (2000) 770-777
	Comparative high-pressure crystal chemistry of wadsleyite,
	beta-(Mg_1-xFe_x)2SiO4, with x=0 and 0.25
	Sample: P = 6.80 GPa, X = .00
	5.6390 11.3432 8.1389 90 90 90 Imma
	atom x y z
	Mg1 0 0 0
	Mg2 0 .25 .9715
	Mg3 .25 .1273 .25
	Si 0 .1199 .6173
	O1 0 .25 .2203
	O2 0 .25 .7173
	O3 0 .9905 .2546
	O4 .2596 .1221 .9929
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	Wadsleyite
	Hazen R M, Weinberger M B, Yang H, Prewitt C T
	American Mineralogist 85 (2000) 770-777
	Comparative high-pressure crystal chemistry of wadsleyite,
	beta-(Mg_1-xFe_x)2SiO4, with x=0 and 0.25
	Sample: P = 8.49 GPa, X = .00
	5.6261 11.3158 8.1132 90 90 90 Imma
	atom x y z
	Mg1 0 0 0
	Mg2 0 .25 .9713
	Mg3 .25 .1275 .25
	Si 0 .1199 .6173
	O1 0 .25 .2208
	O2 0 .25 .7192
	O3 0 .9907 .2550
	O4 .2591 .1222 .9929
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	Wadsleyite
	Hazen R M, Weinberger M B, Yang H, Prewitt C T
	American Mineralogist 85 (2000) 770-777
	Comparative high-pressure crystal chemistry of wadsleyite,
	beta-(Mg_1-xFe_x)2SiO4, with x=0 and 0.25
	Sample: P = 10.12 GPa, X = .00
	5.6137 11.2918 8.0895 90 90 90 Imma
	atom x y z
	Mg1 0 0 0
	Mg2 0 .25 .9716
	Mg3 .25 .1270 .25
	Si 0 .1199 .6173
	O1 0 .25 .2208
	O2 0 .25 .7201
	O3 0 .9914 .2545
	O4 .2589 .1228 .9936
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	Wadsleyite
	Hazen R M, Weinberger M B, Yang H, Prewitt C T
	American Mineralogist 85 (2000) 770-777
	Comparative high-pressure crystal chemistry of wadsleyite,
	beta-(Mg_1-xFe_x)2SiO4, with x=0 and 0.25
	Sample: P = .00 GPa, X = .25
	5.7194 11.5114 8.3021 90 90 90 Imma
	atom x y z occ
	Mg1 0 0 0 .712
	Fe1 0 0 0 .288
	Mg2 0 .25 .9706 .868
	Fe2 0 .25 .9706 .132
	Mg3 .25 .1255 .25 .710
	Fe3 .25 .1255 .25 .290
	Si 0 .1209 .6166
	O1 0 .25 .2174
	O2 0 .25 .7163
	O3 0 .9875 .2563
	O4 .2626 .1231 .9924
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	Wadsleyite
	Hazen R M, Weinberger M B, Yang H, Prewitt C T
	American Mineralogist 85 (2000) 770-777
	Comparative high-pressure crystal chemistry of wadsleyite,
	beta-(Mg_1-xFe_x)2SiO4, with x=0 and 0.25
	Sample: P = 2.72 GPa, X = .25
	5.6951 11.4628 8.2515 90 90 90 Imma
	atom x y z occ
	Mg1 0 0 0 .712
	Fe1 0 0 0 .288
	Mg2 0 .25 .9711 .868
	Fe2 0 .25 .9711 .132
	Mg3 .25 .1254 .25 .710
	Fe3 .25 .1254 .25 .290
	Si 0 .1209 .6170
	O1 0 .25 .2206
	O2 0 .25 .7179
	O3 0 .9888 .2565
	O4 .2633 .1232 .9918
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	Wadsleyite
	Hazen R M, Weinberger M B, Yang H, Prewitt C T
	American Mineralogist 85 (2000) 770-777
	Comparative high-pressure crystal chemistry of wadsleyite,
	beta-(Mg_1-xFe_x)2SiO4, with x=0 and 0.25
	Sample: P = 5.23 GPa, X = .25
	5.6737 11.4201 8.2082 90 90 90 Imma
	atom x y z occ
	Mg1 0 0 0 .712
	Fe1 0 0 0 .288
	Mg2 0 .25 .9709 .868
	Fe2 0 .25 .9709 .132
	Mg3 .25 .1256 .25 .710
	Fe3 .25 .1256 .25 .290
	Si 0 .1211 .6171
	O1 0 .25 .2207
	O2 0 .25 .7184
	O3 0 .9887 .2554
	O4 .2623 .1239 .9924
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	Wadsleyite
	Hazen R M, Weinberger M B, Yang H, Prewitt C T
	American Mineralogist 85 (2000) 770-777
	Comparative high-pressure crystal chemistry of wadsleyite,
	beta-(Mg_1-xFe_x)2SiO4, with x=0 and 0.25
	Sample: P = 6.80 GPa, X = .25
	5.6605 11.3940 8.1828 90 90 90 Imma
	atom x y z occ
	Mg1 0 0 0 .712
	Fe1 0 0 0 .288
	Mg2 0 .25 .9707 .868
	Fe2 0 .25 .9707 .132
	Mg3 .25 .1253 .25 .710
	Fe3 .25 .1253 .25 .290
	Si 0 .1208 .6172
	O1 0 .25 .2217
	O2 0 .25 .7187
	O3 0 .9887 .2556
	O4 .2624 .1238 .9925
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	Wadsleyite
	Hazen R M, Weinberger M B, Yang H, Prewitt C T
	American Mineralogist 85 (2000) 770-777
	Comparative high-pressure crystal chemistry of wadsleyite,
	beta-(Mg_1-xFe_x)2SiO4, with x=0 and 0.25
	Sample: P = 8.49 GPa, X = .25
	5.6485 11.3707 8.1594 90 90 90 Imma
	atom x y z occ
	Mg1 0 0 0 .712
	Fe1 0 0 0 .288
	Mg2 0 .25 .9719 .868
	Fe2 0 .25 .9719 .132
	Mg3 .25 .1257 .25 .710
	Fe3 .25 .1257 .25 .290
	Si 0 .1209 .6171
	O1 0 .25 .2220
	O2 0 .25 .7193
	O3 0 .9887 .2542
	O4 .2622 .1247 .9924
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	Wadsleyite
	Hazen R M, Weinberger M B, Yang H, Prewitt C T
	American Mineralogist 85 (2000) 770-777
	Comparative high-pressure crystal chemistry of wadsleyite,
	beta-(Mg_1-xFe_x)2SiO4, with x=0 and 0.25
	Sample: P = 10.12 GPa, X = .25
	5.6365 11.3464 8.1358 90 90 90 Imma
	atom x y z occ
	Mg1 0 0 0 .712
	Mg1 0 0 0 .288
	Mg2 0 .25 .9719 .868
	Fe2 0 .25 .9719 .132
	Mg3 .25 .1254 .25 .710
	Fe3 .25 .1254 .25 .290
	Si 0 .1211 .6175
	O1 0 .25 .2222
	O2 0 .25 .7198
	O3 0 .9886 .2544
	O4 .2613 .1248 .9925
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	Wadsleyite
	Hazen R M, Yang H, Prewitt C T
	American Mineralogist 85 (2000) 778-783
	High-pressure crystal chemistry of Fe3+-wadsleyite, beta-Fe2.33Si0.67O4
	Pressure = 0.00 GPa
	5.8490 11.8557 8.3772 90 90 90 Imma
	atom x y z occ Biso
	Fe1 0 0 0 .67
	Fe2 0 .25 .9693 .51
	Fe3 .25 .1246 .25 .71
	SiT 0 .1202 .6179 .67 .44
	FeT 0 .1202 .6179 .33 .44
	O1 0 .25 .2257 .9
	O2 0 .25 .7207 1.3
	O3 0 .9920 .2548 .9
	O4 .2579 .1223 .9991 1.1
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	Wadsleyite
	Hazen R M, Yang H, Prewitt C T
	American Mineralogist 85 (2000) 778-783
	High-pressure crystal chemistry of Fe3+-wadsleyite, beta-Fe2.33Si0.67O4
	Pressure = 1.95 GPa
	5.8286 11.8205 8.3481 90 90 90 Imma
	atom x y z occ Biso
	Fe1 0 0 0 .68
	Fe2 0 .25 .9699 .46
	Fe3 .25 .1245 .25 .68
	SiT 0 .1202 .6184 .67 .45
	FeT 0 .1202 .6184 .33 .45
	O1 0 .25 .2259 .9
	O2 0 .25 .7208 1.6
	O3 0 .9926 .2545 1.1
	O4 .2578 .1225 .9992 1.0
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	Wadsleyite
	Hazen R M, Yang H, Prewitt C T
	American Mineralogist 85 (2000) 778-783
	High-pressure crystal chemistry of Fe3+-wadsleyite, beta-Fe2.33Si0.67O4
	Pressure = 3.80 GPa
	5.8076 11.7804 8.3147 90 90 90 Imma
	atom x y z occ Biso
	Fe1 0 0 0 .69
	Fe2 0 .25 .9703 .51
	Fe3 .25 .1246 .25 .68
	SiT 0 .1202 .6183 .67 .47
	FeT 0 .1202 .6183 .33 .47
	O1 0 .25 .2272 .7
	O2 0 .25 .7237 1.3
	O3 0 .9931 .2548 1.0
	O4 .2578 .1227 .9996 1.0
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	Wadsleyite
	Hazen R M, Yang H, Prewitt C T
	American Mineralogist 85 (2000) 778-783
	High-pressure crystal chemistry of Fe3+-wadsleyite, beta-Fe2.33Si0.67O4
	Pressure = 5.45 GPa
	5.7889 11.7496 8.2898 90 90 90 Imma
	atom x y z occ Biso
	Fe1 0 0 0 .67
	Fe2 0 .25 .9706 .56
	Fe3 .25 .1245 .25 .72
	SiT 0 .1204 .6187 .67 .47
	FeT 0 .1204 .6187 .33 .47
	O1 0 .25 .2281 .7
	O2 0 .25 .7235 1.2
	O3 0 .9933 .2540 1.2
	O4 .2571 .1231 .9996 .9
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	Wadsleyite
	Hazen R M, Yang H, Prewitt C T
	American Mineralogist 85 (2000) 778-783
	High-pressure crystal chemistry of Fe3+-wadsleyite, beta-Fe2.33Si0.67O4
	Pressure = 7.35 GPa
	5.7721 11.7214 8.2658 90 90 90 Imma
	atom x y z occ Biso
	Fe1 0 0 0 .67
	Fe2 0 .25 .9711 .59
	Fe3 .25 .1244 .25 .75
	SiT 0 .1204 .6191 .67 .44
	FeT 0 .1204 .6191 .33 .44
	O1 0 .25 .2282 .6
	O2 0 .25 .7251 1.5
	O3 0 .9935 .2535 1.1
	O4 .2579 .1234 .9989 .9
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	Wadsleyite
	Hazen R M, Yang H, Prewitt C T
	American Mineralogist 85 (2000) 778-783
	High-pressure crystal chemistry of Fe3+-wadsleyite, beta-Fe2.33Si0.67O4
	Pressure = 8.95 GPa
	5.7557 11.6949 8.2433 90 90 90 Imma
	atom x y z occ Biso
	Fe1 0 0 0 .62
	Fe2 0 .25 .9715 .61
	Fe3 .25 .1244 .25 .73
	SiT 0 .1204 .6194 .67 .42
	FeT 0 .1204 .6194 .33 .42
	O1 0 .25 .2305 .7
	O2 0 .25 .7243 1.3
	O3 0 .9933 .2532 1.2
	O4 .2573 .1233 .9985 1.0
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	Wadsleyite
	Jacobsen S D, Demouchy S, Frost D J, Ballaran T B, Kung J
	American Mineralogist 90 (2005) 61-70
	A systematic study of OH in hydrous wadsleyite from polarized FTIR spectroscopy and
	single-crystal X-ray diffraction: Oxygen sites for hydrogen storage in Earth's interior
	Sample: ~150 wt ppm H2O
	5.6998 11.4383 8.2573 90 90 90 Imma
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Mg1 0 0 0 .00440 .0047 .0036 .0049 0 0 -.00038
	Mg2 0 .25 .97029 .00437 .0052 .0040 .0039 0 0 0
	Mg3 .25 .12748 .25 .00470 .0042 .0044 .0056 0 -.00087 0
	Si 0 .11978 .61685 .00305 .00302 .00288 .00324 0 0 .00018
	O1 0 .25 .21689 .00441 .0044 .0040 .0048 0 0 0
	O2 0 .25 .71691 .00473 .0066 .0032 .0043 0 0 0
	O3 0 .98983 .25540 .00504 .0057 .0049 .0046 0 0 .0011
	O4 .26133 .12261 .99250 .00473 .0045 .0049 .0048 .0000 .00080 .0001
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	Wadsleyite
	Jacobsen S D, Demouchy S, Frost D J, Ballaran T B, Kung J
	American Mineralogist 90 (2005) 61-70
	A systematic study of OH in hydrous wadsleyite from polarized FTIR spectroscopy and
	single-crystal X-ray diffraction: Oxygen sites for hydrogen storage in Earth's interior
	Sample: ~3200 wt ppm H2O
	5.6941 11.4597 8.2556 90 90 90 Imma
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Mg1 0 0 0 .00647 .0068 .0049 .0077 0 0 .00015
	Mg2 0 .25 .97035 .00547 .0064 .0048 .0052 0 0 0
	Mg3 .25 .12650 .25 .00571 .0050 .0064 .0057 0 -.00072 0
	Si 0 .12011 .61651 .00367 .00348 .00373 .00379 0 0 .00003
	O1 0 .25 .21848 .00600 .0048 .0064 .0068 0 0 0
	O2 0 .25 .71663 .00541 .0077 .0042 .0044 0 0 0
	O3 0 .98934 .25571 .00579 .0068 .0055 .0050 0 0 .0011
	O4 .26098 .12288 .99297 .00559 .0049 .0060 .0058 .0000 .00087 .0001
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	Wadsleyite
	Jacobsen S D, Demouchy S, Frost D J, Ballaran T B, Kung J
	American Mineralogist 90 (2005) 61-70
	A systematic study of OH in hydrous wadsleyite from polarized FTIR spectroscopy and
	single-crystal X-ray diffraction: Oxygen sites for hydrogen storage in Earth's interior
	Sample: ~9600 wt ppm H2O
	5.6890 11.4830 8.2527 90 90 90 Imma
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Mg1 0 0 0 .00804 .0093 .0049 .0099 0 0 .0009
	Mg2 0 .25 .97013 .00584 .0073 .0048 .0054 0 0 0
	Mg3 .25 .12516 .25 .00660 .0054 .0084 .0060 0 -.00077 0
	Si 0 .12033 .61619 .00460 .00479 .00470 .00432 0 0 -.00017
	O1 0 .25 .21995 .00702 .0051 .0084 .0076 0 0 0
	O2 0 .25 .71649 .00622 .0085 .0061 .0040 0 0 0
	O3 0 .98863 .25578 .00663 .0068 .0074 .0058 0 0 .0007
	O4 .26092 .12317 .99359 .00615 .0056 .0067 .0062 .0003 .00071 .0003
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	Wadsleyite
	Holl C M, Smyth J R, Jacobsen S D, Frost D J
	American Mineralogist 93 (2008) 598-607
	Effects of hydration on the structure and compressibility of wadsleyite, beta-(Mg2SiO4)
	Locality: synthetic
	Sample: SS0401, 1.66 wt% H2O
	5.6807 11.5243 8.2515 90 90.090 90 *I2/m
	.25 .25 .25
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	MgM1 0 0 0 .0124 .0137 .0069 .0165 -.0005 -.0007 .0028
	MgM2 -.00014 .25 .97051 .0069 .0085 .0047 .0076 0 .0000 0
	MgM3a .25 .12299 .25 .871 .0087 .0067 .0106 .0078 0 -.0005 0
	WatM3a .25 .12299 .25 .129 .0087 .0067 .0106 .0078 0 -.0005 0
	MgM3b .75 .37703 .25 .857 .0093 .0071 .0120 .0086 .0003 0 0
	WatM3b .75 .37703 .25 .129 .0093 .0071 .0120 .0086 .0003 0 0
	Si .00000 .12083 .61574 .00666 .0063 .0065 .0072 .00017 .0000 -.00023
	O1 .0002 .25 .2237 .0086 .0068 .0091 .0100 0 .0008 0
	O2 .0002 .25 .7163 .0076 .0090 .0070 .0068 0 .0007 0
	O3 -.0003 .01245 .74375 .0087 .0088 .0090 .0083 -.0003 .0002 .0005
	O4 .2605 .12355 .99419 .0072 .0075 .0056 .0085 .0006 .0002 .0006
	O4b .7389 .37644 .99419 .0074 .0074 .0067 .0080 -.0006 .0011 -.0009
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	Wadsleyite
	Holl C M, Smyth J R, Jacobsen S D, Frost D J
	American Mineralogist 93 (2008) 598-607
	Effects of hydration on the structure and compressibility of wadsleyite, beta-(Mg2SiO4)
	Locality: synthetic
	Sample: SS0402, 1.18 wt% H2O
	5.6862 11.5023 8.2526 90 90.013 90 Imma
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	MgM1 0 0 0 .0122 .0080 .0146 .0116 0 0 .0013
	MgM2 0 .25 .97034 .0098 .0066 .0073 .0079 0 0 0
	MgM3 .25 .12426 .25 .8900 .0075 .0110 .0076 .0087 0 -.0007 0
	WatM3 .25 .12426 .25 .0916 .0075 .0110 .0076 .0087 0 -.0007 0
	Si 0 .12059 .61601 .0069 .0068 .0062 .00665 0 0 -.0001
	O1 0 .25 .2214 .0061 .0099 .0099 .0086 0 0 0
	O2 0 .25 .7160 .0092 .0074 .0061 .0076 0 0 0
	O3 0 .98816 .25591 .0096 .0081 .0071 .0083 0 0 0
	O4 .26118 .12338 .99381 .0067 .0079 .0077 .00744 .0003 .0011 .0002
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	Wadsleyite
	Holl C M, Smyth J R, Jacobsen S D, Frost D J
	American Mineralogist 93 (2008) 598-607
	Effects of hydration on the structure and compressibility of wadsleyite, beta-(Mg2SiO4)
	Locality: synthetic
	Sample: SS0403, 0.38 wt% H2O
	5.6951 11.4628 8.2565 90 90.001 90 Imma
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	MgM1 0 0 0 .0075 .00484 .0080 .00676 0 0 .00026
	MgM2 0 .25 .97005 .0064 .00495 .0050 .00544 0 0 0
	MgM3 .25 .12634 .25 .9614 .0054 .00718 .0061 .00621 0 -.00084 0
	WatM3 .25 .12634 .25 .0296 .0054 .00718 .0061 .00621 0 -.00084 0
	Si 0 .12012 .61649 .0043 .00411 .00377 .00406 0 0 .00002
	O1 0 .25 .21929 .0047 .0052 .0065 .00544 0 0 0
	O2 0 .25 .71641 .0070 .0035 .0037 .00471 0 0 0
	O3 0 .98937 .25617 .0065 .0048 .0049 .00538 0 0 0
	O4 .26184 .12297 .99324 .0044 .0051 .0052 .00491 -.00016 .00089 .00020
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	Wadsleyite
	Holl C M, Smyth J R, Jacobsen S D, Frost D J
	American Mineralogist 93 (2008) 598-607
	Effects of hydration on the structure and compressibility of wadsleyite, beta-(Mg2SiO4)
	Sample: WS3056, 0.005 wt% H2O
	5.7008 11.4407 8.2582 90 90.000 90 Imma
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	MgM1 0 0 0 .0050 .0024 .0086 .0053 0 0 -.0008
	MgM2 0 .25 .97088 .0057 .0020 .0073 .0050 0 0 0
	MgM3 .25 .12750 .25 .0045 .0043 .0073 .0054 0 -.0012 0
	Si 0 .11990 .61705 .0035 .0025 .0052 .0037 0 0 -.0002
	O1 0 .25 .2161 .0040 .0052 .0050 .0048 0 0 0
	O2 0 .25 .7165 .0072 .0019 .0062 .0051 0 0 0
	O3 0 .98993 .2554 .0068 .0021 .0065 .0051 0 0 0
	O4 .2617 .12277 .99216 .0048 .0027 .0077 .0051 -.0004 .0000 -.0002
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	Wadsleyite
	Sawamoto H, Horiuchi H
	Physics and Chemistry of Minerals 17 (1990) 293-300
	Beta (Mg0.9Fe0.1)2SiO4: single crystal structure, cation
	distribution, and properties of coordination polyhedra
	5.7107 11.4675 8.2778 90 90 90 Imma
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	MgM1 0 0 0 .89 .56 .0035 .0012 .0022 0 0 0
	FeM1 0 0 0 .11 .56 .0035 .0012 .0022 0 0 0
	MgM2 0 .25 .9707 .95 .58 .0062 .0010 .0015 0 0 0
	FeM2 0 .25 .9707 .05 .58 .0062 .0010 .0015 0 0 0
	MgM3 .25 .1266 .25 .88 .57 .0033 .0014 .0023 0 -.0002 0
	FeM3 .25 .1266 .25 .12 .57 .0033 .0014 .0023 0 -.0002 0
	SiT 0 .1202 .6161 .45 .0039 .0008 .0015 0 0 -.0001
	O1 0 .25 .2165 .49 .0075 .0007 .0005 0 0 0
	O2 0 .25 .7170 .54 .0087 .0001 .0016 0 0 0
	O3 0 .9889 .2576 .57 .0045 .0009 .0010 0 0 .0005
	O4 .2617 .1230 .9921 1.14 .0070 .0014 .0011 .0035 -.0004 -.0003
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	Wadsleyite
	Finger L W, Hazen R M, Zhang J, Ko J, Navrotsky A
	Physics and Chemistry of Minerals 19 (1993) 361-368
	The effect of Fe on the crystal structure of wadsleyite
	beta-(Mg1-xFex)2SiO4, 0.00<=x<=0.40
	Sample: Fe00
	5.6921 11.460 8.253 90 90 90 Imma
	atom x y z Biso
	MgM1 0 0 0 .47
	MgM2 0 1/4 .97013 .37
	MgM3 1/4 .12636 1/4 .55
	Si 0 .12008 .61659 .27
	O1 0 1/4 .2187 .41
	O2 0 1/4 .7168 .39
	O3 0 .98946 .25562 .42
	O4 .2608 .12286 .99291 .40
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	Wadsleyite
	Finger L W, Hazen R M, Zhang J, Ko J, Navrotsky A
	Physics and Chemistry of Minerals 19 (1993) 361-368
	The effect of Fe on the crystal structure of wadsleyite
	beta-(Mg1-xFex)2SiO4, 0.00<=x<=0.40
	Sample: Fe08
	5.7037 11.4529 8.2679 90 90 90 Imma
	atom x y z occ Biso
	MgM1 0 0 0 .917 .50
	FeM1 0 0 0 .083 .50
	FeM2 0 1/4 .97051 .039 .45
	MgM2 0 1/4 .97051 .961 .45
	FeM3 1/4 .12654 1/4 .099 .54
	MgM3 1/4 .12654 1/4 .911 .54
	Si 0 .12023 .61667 .33
	O1 0 1/4 .2169 .48
	O2 0 1/4 .7166 .48
	O3 0 .9894 .2559 .45
	O4 .2610 .12280 .9923 .44
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	Wadsleyite
	Finger L W, Hazen R M, Zhang J, Ko J, Navrotsky A
	Physics and Chemistry of Minerals 19 (1993) 361-368
	The effect of Fe on the crystal structure of wadsleyite
	beta-(Mg1-xFex)2SiO4, 0.00<=x<=0.40
	Sample: Fe16
	5.7119 11.4681 8.2799 90 90 90 Imma
	atom x y z occ Biso
	MgM1 0 0 0 .829 .5
	FeM1 0 0 0 .171 .5
	MgM2 0 1/4 .97049 .915 .5
	FeM2 0 1/4 .97049 .085 .5
	MgM3 1/4 .12603 1/4 .808 .54
	FeM3 1/4 .12603 1/4 .192 .54
	Si 0 .12042 .61670 .28
	O1 0 1/4 .2174 .47
	O2 0 1/4 .7167 .40
	O3 0 .9889 .2561 .46
	O4 .2621 .12293 .9924 .40
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	Wadsleyite
	Finger L W, Hazen R M, Zhang J, Ko J, Navrotsky A
	Physics and Chemistry of Minerals 19 (1993) 361-368
	The effect of Fe on the crystal structure of wadsleyite
	beta-(Mg1-xFex)2SiO4, 0.00<=x<=0.40
	Sample: Fe25
	5.717 11.506 8.299 90 90 90 Imma
	atom x y z occ Biso
	MgM1 0 0 0 .712 .63
	FeM1 0 0 0 .288 .63
	MgM2 0 1/4 .97069 .868 .57
	FeM2 0 1/4 .97069 .132 .57
	MgM3 1/4 .12530 1/4 .710 .65
	FeM3 1/4 .12530 1/4 .290 .65
	Si 0 .12079 .61665 .33
	O1 0 1/4 .2179 .53
	O2 0 1/4 .7164 .46
	O3 0 .9879 .2564 .52
	O4 .2619 .1230 .9924 .52
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	Wadsleyite
	Finger L W, Hazen R M, Zhang J, Ko J, Navrotsky A
	Physics and Chemistry of Minerals 19 (1993) 361-368
	The effect of Fe on the crystal structure of wadsleyite
	beta-(Mg1-xFex)2SiO4, 0.00<=x<=0.40
	Sample: Fe40
	5.739 11.515 8.316 90 90 90 Imma
	atom x y z occ Biso
	MgM1 0 0 0 .557 .68
	FeM1 0 0 0 .443 .68
	MgM2 0 1/4 .97069 .766 .77
	FeM2 0 1/4 .97069 .234 .77
	MgM3 1/4 .12490 1/4 .539 .82
	FeM3 1/4 .12490 1/4 .461 .82
	Si 0 .12107 .61621 .32
	O1 0 1/4 .2185 .62
	O2 0 1/4 .7168 .54
	O3 0 .9878 .2568 .58
	O4 .2626 .1234 .9926 .56
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	Wadsleyite
	Kudoh Y, Inoue T, Arashi H
	Physics and Chemistry of Minerals 23 (1996) 461-469
	Structure and crystal chemistry of hydrous wadsleyite, Mg1.75SiH0.5O4:
	possible hydrous magnesium silicate in the mantle transition zone
	Locality: synthetic
	5.663 11.546 8.247 90 90 90 Imma
	atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Mg1 0 0 0 .97 1.0 .023 .004 .011 0 0 .003
	Mg2 0 1/4 .9694 .94 .6 .010 .008 .005 0 0 0
	Mg3 1/4 .1206 1/4 .78 1.00 .013 .015 .011 0 .002 0
	Si 0 .1208 .6155 .82 .010 .010 .012 0 0 -.002
	OH1 0 1/4 .229 .5 .000 .009 .011 0 0 0
	O2 0 1/4 .7187 .4 .009 .003 .004 0 0 0
	O3 0 .9856 .2571 1.5 .026 .013 .018 0 0 .003
	O4 .2607 .1242 .9949 .77 .008 .009 .012 -.014 .000 .002
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	Wadsleyite
	Kudoh Y, Inoue T
	Physics and Chemistry of Minerals 26 (1999) 382-388
	Mg-vacant structural modules and dilution of the symmetry
	of hydrous wadsleyite, beta-Mg2-xSiH2xO4 with 0.00<=x<=0.25
	Sample: 0.3H-beta
	5.674 11.477 8.235 90 90.21 90 *I2/m
	.25 .25 .25
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	MgM1 0 0 0 .98 .55 .0048 .0007 .0023 -.0001 .0003 .0002
	MgM2 -.0008 1/4 .9689 .94 .37 .0051 .0004 .0009 0 .0000 0
	MgM3a 1/4 .1244 1/4 .88 .46 .0042 .0008 .0017 0 .0000 0
	MgM3b 3/4 .3755 1/4 .84 .56 .0028 .0015 .0018 0 .0002 0
	Si -.0004 .1203 .6160 .45 .0038 .0009 .0015 -.0003 -.0003 .0000
	O1 .0002 1/4 .2226 .56 .0026 .0012 .0026 0 -.0005 0
	O2 .0007 1/4 .7173 .47 .0004 .0019 .0013 0 .0005 0
	O3 .0004 .9875 .2572 1.03 .0118 .0013 .0031 -.0002 -.0007 .0005
	O4a .2604 .1231 .9939 .65 .0042 .0011 .0029 .0000 .0002 .0003
	O4b .7393 .3767 .9935 .73 .0061 .0017 .0019 -.0001 .0001 .0001
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	Wadsleyite
	Kudoh Y, Inoue T
	Physics and Chemistry of Minerals 26 (1999) 382-388
	Mg-vacant structural modules and dilution of the symmetry
	of hydrous wadsleyite, beta-Mg2-xSiH2xO4 with 0.00<=x<=0.25
	Sample: 0.5H-beta
	5.675 11.579 8.244 90 90.09 90 *I2/m
	.25 .25 .25
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	MgM1 0 0 0 .88 .0104 .0006 .0036 .0001 .0012 .0004
	MgM2 .0008 1/4 .9683 .92 .56 .0071 .0008 .0013 0 .0001 0
	MgM3a 1/4 .1209 1/4 .76 .83 .0079 .0016 .0023 0 .0000 0
	MgM3b 3/4 .3794 1/4 .76 .71 .0064 .0013 .0023 0 .0005 0
	Si .0001 .1207 .6156 .84 .0061 .0016 .0033 -.0001 .0001 -.0004
	O1 -.0007 1/4 .2265 .81 .0027 .0018 .0041 0 -.0019 0
	O2 .0033 1/4 .7184 .66 .0061 .0014 .0018 0 .0002 0
	O3 .0022 .9855 .2580 1.55 .0124 .0029 .0057 .0008 .0014 .0010
	O4a .2608 .1242 .9951 .86 .0059 .0017 .0034 -.0015 .0005 -.0002
	O4b .7399 .3761 .9942 .82 .0048 .0013 .0042 -.0014 .0008 -.0003
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	Wadsleyite II
	Smyth J R, Holl C M, Langenhorst F, Laustsen H M S, Rossman G R, Kleppe A,
	McCammon C A, Kawamoto T, van Aken P A
	Physics and Chemistry of Minerals 31 (2005) 691-705
	Crystal chemistry of wadsleyite II and water in the Earth's interior
	Sample: 1
	Reported formula: Mg1.71 Fe.18 Al.01 H.33 Si.96 O4
	5.6884 28.9238 8.2382 90 90 90 Imma
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Mg1 .25 .25 .75 .0092 .0099 .0081 .0096 0 .0046 0
	Mg2 .5 .19993 .4938 .0110 .013 .0051 .0146 0 0 .0004
	Mg3 .5 .10025 .5287 .96 .0083 .0096 .0068 .0084 0 0 -.0001
	Fe2+3 .5 .10025 .5287 .02 .0083 .0096 .0068 .0084 0 0 -.0001
	Fe3+3 .5 .10025 .5287 .02 .0083 .0096 .0068 .0084 0 0 -.0001
	Mg4 .5 0 .5 .0109 .012 .006 .014 0 0 -.0026
	Mg5 .25 .14993 .25 .904 .0091 .0081 .0112 .0081 0 -.0038 0
	Mg6 .25 .04885 .25 .954 .0069 .0061 .0090 .0058 0 -.0003 0
	Si1 0 .25 .3774 .253 .0068 .0055 .0068 .0080 0 0 0
	Si2 0 .15249 .6167 .458 .0050 .0057 .0043 .0048 0 0 .0002
	Si3 0 .04869 .6157 .502 .0073 .0063 .0077 .0078 0 0 .0001
	O1 0 -.00491 .2570 .5 .0073 .010 .012 .010 0 0 .0025
	O2 0 .09960 .2246 .5 .0109 .0071 .0136 .0119 0 0 .0003
	O3 0 .20301 .2598 .5 .0098 .009 .0109 .0089 0 0 .0007
	O4 .2377 .05008 .5056 .0126 .016 .0110 .0104 -.0025 .0013 -.0007
	O5 .2411 .15066 .5050 .0041 .0023 .0016 .0083 -.002 .0018 .0004
	O6 .2416 .25 .4956 .5 .0096 .006 .012 .011 0 .0032 0
	O7 0 .09990 .7174 .5 .0099 .0087 .0128 .0082 0 0 .0014
	O8 0 .19653 .7468 .5 .0107 .008 .0160 .0081 0 0 .0039
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	Wadsleyite II
	Smyth J R, Holl C M, Langenhorst F, Laustsen H M S, Rossman G R, Kleppe A,
	McCammon C A, Kawamoto T, van Aken P A
	Physics and Chemistry of Minerals 31 (2005) 691-705
	Crystal chemistry of wadsleyite II and water in the Earth's interior
	Sample: 2
	Reported formula: Mg1.60 Fe.22 Al.01 H.44 Si.97 O4
	5.6896 29.104 8.243 90 90 90 Imma
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Mg1 .25 .25 .75 .852 .0100 .009 .010 .012 0 .0006 0
	Fe2+1 .25 .25 .75 .074 .0100 .009 .010 .012 0 .0006 0
	Fe3+1 .25 .25 .75 .074 .0100 .009 .010 .012 0 .0006 0
	Mg2 .5 .19934 .4927 .0093 .012 .003 .013 0 0 .0004
	Mg3 .5 .0998 .5279 .95 .0098 .0110 .0076 .0106 0 0 .0035
	Fe2+3 .5 .0998 .5279 .025 .0098 .0110 .0076 .0106 0 0 .0035
	Fe3+3 .5 .0998 .5279 .025 .0098 .0110 .0076 .0106 0 0 .0035
	Mg4 .5 0 .5 .91 .012 .011 .010 .016 0 0 -.0022
	Fe2+4 .5 0 .5 .045 .012 .011 .010 .016 0 0 -.0022
	Fe3+4 .5 0 .5 .045 .012 .011 .010 .016 0 0 -.0022
	Mg5 .25 .15017 .25 .854 .0116 .0107 .014 .0102 0 -.0006 0
	Mg6 .25 .04883 .25 .961 .0065 .0091 .0082 .0021 0 -.0023 0
	Si1 0 .25 .3779 .256 .0089 .010 .008 .0087 0 0 0
	Si2 0 .15225 .6163 .425 .0020 .0044 .0004 .0012 0 0 -.0002
	Si3 0 .04876 .6158 .514 .0100 .0072 .0110 .0119 0 0 -.0009
	O1 0 -.0051 .2518 .5 .0133 .014 .015 .011 0 0 -.006
	O2 0 .0998 .2263 .5 .0126 .0060 .020 .012 0 0 -.005
	O3 0 .2029 .2636 .5 .0093 .012 .012 .004 0 0 -.004
	O4 .241 .0512 .5056 .019 .033 .005 .018 .000 -.003 -.002
	O5 .2426 .1517 .5032 .0024 .000 .000 .0063 .001 -.0024 .0001
	O6 .2350 .25 .4948 .5 .0032 -.004 .012 .001 0 -.0032 0
	O7 0 .0990 .7171 .5 .0118 .012 .011 .013 0 0 -.008
	O8 0 .1962 .7429 .5 .0101 .010 .009 .011 0 0 .002
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Total number of retrieved datasets: 41
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