Gypsum
	Schofield P F, Knight K S, Stretton I C
	American Mineralogist 81 (1996) 847-851
	Thermal expansion of gypsum investigated by neutron powder diffraction
	T = 4.2 K
	_database_code_amcsd 0001807
	5.6740 15.1049 6.4909 90 118.513 90 *I2/a
	.25 0 .25
	atom x y z Biso
	Ca .5 .07996 .25 .098
	S 0 .07667 .75 .104
	O1 .96413 .13282 .55028 .297
	O2 .75763 .02194 .66427 .280
	Ow .38342 .17240 .46179 .318
	D1 .25369 .16662 .50769 1.428
	D2 .40549 .24481 .49322 1.288
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	Gypsum
	Schofield P F, Knight K S, Stretton I C
	American Mineralogist 81 (1996) 847-851
	Thermal expansion of gypsum investigated by neutron powder diffraction
	T = 150 K
	_database_code_amcsd 0001808
	5.6742 15.1236 6.5018 90 118.495 90 *I2/a
	.25 0 .25
	atom x y z Biso
	Ca .5 .07984 .25 .207
	S 0 .07695 .75 .237
	O1 .96371 .13292 .55070 .602
	O2 .75753 .02170 .66443 .518
	Ow .38222 .18229 .46024 .795
	D1 .25341 .16210 .50655 1.911
	D2 .40493 .24446 .49252 1.728
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	Gypsum
	Schofield P F, Knight K S, Stretton I C
	American Mineralogist 81 (1996) 847-851
	Thermal expansion of gypsum investigated by neutron powder diffraction
	T = 320 K
	_database_code_amcsd 0001809
	5.6769 15.2074 6.5277 90 118.494 90 *I2/a
	.25 0 .25
	atom x y z Biso
	Ca .5 .07864 .25 .570
	S 0 .07872 .75 .504
	O1 .96164 .13263 .55120 1.177
	O2 .75714 .02154 .66527 .970
	Ow .37837 .18255 .46544 1.749
	D1 .25043 .16150 .50086 3.520
	D2 .40225 .24347 .49003 3.074
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	Lawsonite
	Meyer H, Marion S, Sondergeld P, Carpenter M A, Knight K S, Redfern S A T,
	Dove M T
	American Mineralogist 86 (2001) 566-577
	Displacive components of the low-temperature phase transitions in lawsonite
	T = 2 K
	_database_code_amcsd 0002632
	5.86465 8.7652 13.1002 90 90 90 P2_1cn
	atom x y z occ Uiso
	Ca -.266 .0812 .2511 .0035
	Al 0 -.000 -.002 .97 .0015
	Fe 0 -.000 -.002 .03 .0015
	Ala .002 -.002 .498 .97 .0015
	Fea .002 -.002 .498 .03 .0015
	Si -.248 .731 .133 .0021
	Sia -.250 .727 .366 .0021
	O1 -.239 -.2016 .2485 .0030
	O2 .024 .1185 .1250 .0027
	O2a .021 .1261 .3819 .0027
	O2b .474 .3674 .8870 .0027
	O2c .475 .3740 .6170 .0027
	O3 -.253 -.1130 .0636 .0015
	O3a -.252 -.1155 .4339 .0015
	O4 -.258 .3916 .0513 .0016
	O4a -.247 .3806 .4613 .0016
	O5 -.234 .3589 .2479 .0041
	Dw -.250 .3826 .1721 .0226
	Dwa .699 .4402 .2841 .035
	Dh -.250 .2797 .0290 .0193
	Dha -.234 .3227 .4014 .028
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	Lawsonite
	Meyer H W, Marion S, Sondergeld P, Carpenter M A, Knight K S, Redfern S A T,
	Dove M T
	American Mineralogist 86 (2001) 566-577
	Displacive components of the low-temperature phase transitions in lawsonite
	T = 50 K
	_database_code_amcsd 0002633
	5.8639 8.76442 13.099 90 90 90 P2_1cn
	atom x y z occ Uiso
	Ca -.272 .0811 .2506 .0026
	Al 0 .000 -.004 .97 .0013
	Fe 0 .000 -.004 .03 .0013
	Ala -.006 -.002 .497 .97 .0013
	Fea -.006 -.002 .497 .03 .0013
	Si -.253 .730 .132 .0011
	Sia -.254 .727 .366 .0011
	O1 -.247 -.2016 .2485 .0044
	O2 .017 .1185 .1248 .0028
	O2a .013 .1255 .3819 .0028
	O2b .466 .3664 .8869 .0028
	O2c .478 .3741 .6170 .0028
	O3 -.261 -.1132 .0635 .0014
	O3a -.257 -.1154 .4337 .0014
	O4 -.264 .3912 .0512 .0022
	O4a -.255 .3806 .4609 .0022
	O5 -.239 .3592 .2482 .0039
	Dw -.259 .3827 .1726 .0226
	Dwa .694 .4408 .2843 .032
	Dh -.256 .2792 .0288 .0217
	Dha -.243 .3225 .4017 .029
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	Lawsonite
	Meyer H W, Marion S, Sondergeld P, Carpenter M A, Knight K S, Redfern S A T,
	Dove M T
	American Mineralogist 86 (2001) 566-577
	Displacive components of the low-temperature phase transitions in lawsonite
	T = 100 K
	_database_code_amcsd 0002634
	5.86332 8.76659 13.1021 90 90 90 P2_1cn
	atom x y z occ Uiso
	Ca -.269 .0813 .2503 .0033
	Al 0 .000 -.004 .97 .0017
	Fe 0 .000 -.004 .03 .0017
	Ala .005 -.002 .505 .97 .0017
	Fea .005 -.002 .505 .03 .0017
	Si -.252 .730 .132 .0018
	Sia -.249 .727 .366 .0018
	O1 -.244 -.20172 .2485 .0046
	O2 .018 .1184 .1218 .0037
	O2a .015 .127 .3862 .0037
	O2b .467 .3675 .8824 .0037
	O2c .470 .374 .6197 .0037
	O3 -.257 -.1135 .0637 .0016
	O3a -.256 -.1147 .4341 .0016
	O4 -.263 .3919 .0513 .0026
	O4a -.255 .3806 .4609 .0026
	O5 -.241 .3590 .2485 .0072
	Dw -.260 .3842 .1726 .0243
	Dwa .701 .4410 .2851 .036
	Dh -.254 .2797 .0295 .0216
	Dha -.240 .3218 .4024 .030
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	Lawsonite
	Meyer H W, Marion S, Sondergeld P, Carpenter M A, Knight K S, Redfern S A T,
	Dove M T
	American Mineralogist 86 (2001) 566-577
	Displacive components of the low-temperature phase transitions in lawsonite
	T = 130 K
	_database_code_amcsd 0002635
	5.86243 8.76981 13.1063 90 90 90 Pmcn
	atom x y z occ Uiso
	Ca -.25 .0812 .2496 .0059
	Al 0 0 0 .97 .0010
	Fe 0 0 0 .03 .0010
	Ala 0 0 .5 .97 .0010
	Fea 0 0 .5 .03 .0010
	Si -.25 .7298 .1319 .0029
	Sia -.25 .7285 .3659 .0029
	O1 -.25 -.2019 .2487 .0042
	O2 .0243 .1226 .1207 .0040
	O2a .0230 .1230 .3848 .0040
	O3 -.25 -.1139 .0628 .0023
	O3a -.25 -.1136 .4333 .0023
	O4 -.25 .3925 .0514 .0029
	O4a -.25 .3812 .4612 .0029
	O5 -.25 .3575 .2482 .0121
	Dw -.25 .3841 .1723 .0280
	Dwa -.25 .4379 .2878 .059
	Dd -.25 .2797 .0313 .0213
	Dda -.25 .3189 .4042 .031
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	Lawsonite
	Meyer H W, Marion S, Sondergeld P, Carpenter M A, Knight K S, Redfern S A T,
	Dove M T
	American Mineralogist 86 (2001) 566-577
	Displacive components of the low-temperature phase transitions in lawsonite
	T = 175 K
	_database_code_amcsd 0002636
	5.86092 8.77586 13.1132 90 90 90 Pmcn
	atom x y z occ Uiso
	Ca -.25 .0810 .2493 .0065
	Al 0 0 0 .97 .0016
	Fe 0 0 0 .03 .0016
	Ala 0 0 .5 .97 .0016
	Fea 0 0 .5 .03 .0016
	Si -.25 .7291 .1324 .0038
	Sia -.25 .7292 .3664 .0038
	O1 -.25 -.2020 .2488 .0057
	O2 .0235 .1231 .1202 .0045
	O2a .0230 .1305 .3847 .0045
	O3 -.25 -.1137 .0636 .0027
	O3a -.25 -.1137 .4332 .0027
	O4 -.25 .3934 .0512 .0044
	O4a -.25 .3822 .4601 .0044
	O5 -.25 .3580 .2484 .0142
	Dw -.25 .3875 .1734 .032
	Dwa -.25 .4371 .2902 .058
	Dd -.25 .2796 .0329 .0238
	Dda -.25 .3158 .4063 .038
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	Lawsonite
	Meyer H W, Marion S, Sondergeld P, Carpenter M A, Knight K S, Redfern S A T,
	Dove M T
	American Mineralogist 86 (2001) 566-577
	Displacive components of the low-temperature phase transitions in lawsonite
	T = 225 K
	_database_code_amcsd 0002637
	5.85942 8.78269 13.1209 90 90 90 Pmcn
	atom x y z occ Uiso
	Ca -.25 .0812 .2492 .0083
	Al 0 0 0 .97 .0026
	Fe 0 0 0 .03 .0026
	Ala 0 0 .5 .97 .0026
	Fea 0 0 .5 .03 .0026
	Si -.25 .7298 .1323 .0039
	Sia -.25 .7291 .3660 .0039
	O1 -.25 -.2022 .2492 .0061
	O2 .0224 .1242 .1195 .0049
	O2a .0234 .1304 .3845 .0049
	O3 -.25 -.1138 .0638 .0039
	O3a -.25 -.1129 .4330 .0039
	O4 -.25 .3943 .0515 .0049
	O4a -.25 .3835 .4594 .0049
	O5 -.25 .3586 .2488 .0183
	Dw -.25 .3912 .1746 .038
	Dwa -.25 .4337 .2925 .060
	Dd -.25 .2794 .0350 .026
	Dda -.25 .3132 .4092 .043
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	Lawsonite
	Meyer H W, Marion S, Sondergeld P, Carpenter M A, Knight K S, Redfern S A T,
	Dove M T
	American Mineralogist 86 (2001) 566-577
	Displacive components of the low-temperature phase transitions in lawsonite
	T = 268 K
	_database_code_amcsd 0002638
	5.85539 8.79152 13.1326 90 90 90 Pmcn
	atom x y z occ Uiso
	Ca -.25 .0803 .2471 .0092
	Al 0 0 0 .97 .0040
	Fe 0 0 0 .03 .0040
	Ala 0 0 .5 .97 .0040
	Fea 0 0 .5 .03 .0040
	Si -.25 .731 .1312 .0037
	Sia -.25 .729 .3664 .0037
	O1 -.25 -.2034 .2510 .0068
	O2 .021 .1270 .1179 .0050
	O2a .024 .1289 .3842 .0050
	O3 -.25 -.1135 .0661 .0034
	O3a -.25 -.1116 .4333 .0034
	O4 -.25 .3936 .0516 .0076
	O4a -.25 .3868 .4577 .0076
	O5 -.25 .3599 .249 .022
	Dw -.25 .407 .1805 .057
	Dwa -.25 .420 .3015 .064
	Dd -.25 .2781 .0383 .036
	Dda -.25 .307 .4178 .052
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	Lawsonite
	Meyer H W, Marion S, Sondergeld P, Carpenter M A, Knight K S, Redfern S A T,
	Dove M T
	American Mineralogist 86 (2001) 566-577
	Displacive components of the low-temperature phase transitions in lawsonite
	T = 285 K
	_database_code_amcsd 0002639
	5.85424 8.79471 13.1365 90 90 90 *Cmcm
	.25 .25 0
	atom x y z occ Uiso
	Ca -.25 .0804 .25 .011
	Al 0 .25 0 .97 .005
	Fe 0 .25 0 .03 .005
	Si -.25 .7311 .1330 .0042
	O1 -.25 -.2028 .25 .0064
	O2 .0225 .1283 .1166 .0061
	O3 -.25 -.1122 .0675 .0009
	O4 -.25 .3910 .0480 .0128
	O5 -.25 .3606 .25 .017
	Dw -.25 .4153 .1886 .059
	Dd -.25 .2890 .0551 .073
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	Lawsonite
	Meyer H W, Marion S, Sondergeld P, Carpenter M A, Knight K S, Redfern S A T,
	Dove M T
	American Mineralogist 86 (2001) 566-577
	Displacive components of the low-temperature phase transitions in lawsonite
	T = 300 K
	_database_code_amcsd 0002640
	5.8543 8.79679 13.1387 90 90 90 *Cmcm
	.25 .25 0
	atom x y z occ Uiso
	Ca -.25 .0807 .25 .012
	Al 0 .25 0 .97 .006
	Fe 0 .25 0 .03 .006
	Si -.25 .7311 .1331 .0045
	O1 -.25 -.2030 .25 .0066
	O2 .0226 .1281 .1167 .0063
	O3 -.25 -.1123 .0675 .0013
	O4 -.25 .3913 .0482 .0128
	O5 -.25 .3602 .25 .017
	Dw -.25 .4160 .1886 .060
	Dd -.25 .2889 .0554 .072
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	Lawsonite
	Meyer H W, Marion S, Sondergeld P, Carpenter M A, Knight K S, Redfern S A T,
	Dove M T
	American Mineralogist 86 (2001) 566-577
	Displacive components of the low-temperature phase transitions in lawsonite
	T = 350 K
	_database_code_amcsd 0002641
	5.85603 8.80228 13.1442 90 90 90 *Cmcm
	.25 .25 0
	atom x y z occ Uiso
	Ca -.25 .0805 .25 .014
	Al 0 .25 0 .97 .007
	Fe 0 .25 0 .03 .007
	Si -.25 .7311 .1331 .0049
	O1 -.25 -.2033 .25 .0071
	O2 .0223 .1290 .1164 .0074
	O3 -.25 -.1125 .0677 .0020
	O4 -.25 .3915 .0482 .0142
	O5 -.25 .3615 .25 .021
	Dw -.25 .4160 .1886 .062
	Dd -.25 .2896 .0556 .076
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	Lawsonite
	Meyer H W, Marion S, Sondergeld P, Carpenter M A, Knight K S, Redfern S A T,
	Dove M T
	American Mineralogist 86 (2001) 566-577
	Displacive components of the low-temperature phase transitions in lawsonite
	T = 400 K
	_database_code_amcsd 0002642
	5.85851 8.80727 13.149 90 90 90 *Cmcm
	.25 .25 0
	atom x y z occ Uiso
	Ca -.25 .0803 .25 .014
	Al 0 .25 0 .97 .007
	Fe 0 .25 0 .03 .007
	Si -.25 .7309 .1330 .0052
	O1 -.25 -.2036 .25 .0089
	O2 .0225 .1288 .1165 .0075
	O3 -.25 -.1123 .0678 .0027
	O4 -.25 .3916 .0481 .0137
	O5 -.25 .3607 .25 .022
	Dw -.25 .4161 .1889 .065
	Dd -.25 .2893 .0557 .075
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	Olivine
	Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
	American Mineralogist 86 (2001) 1170-1187
	Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
	a time-of-flight neutron powder diffraction and EXAFS study
	Sample: Mg85Ni15 at room temperature
	_database_code_amcsd 0002674
	4.7515 10.199 5.9696 90 90 90 Pbnm
	atom x y z occ Biso
	Si .4256 .0938 .25 .24
	O1 .7667 .0924 .25 .41
	O2 .2211 .4468 .25 .43
	O3 .2766 .1629 .0328 .44
	Ni1 0 0 0 .260 .37
	Mg1 0 0 0 .740 .37
	Ni2 .9909 .2769 .25 .040 .45
	Mg2 .9909 .2769 .25 .960 .45
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	Olivine
	Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
	American Mineralogist 86 (2001) 1170-1187
	Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
	A time-of-flight neutron powder diffraction and EXAFS study
	Sample: Mg80Ni20 at room temperature
	_database_code_amcsd 0002675
	4.7487 10.201 5.9678 90 90 90 Pbnm
	atom x y z occ Biso
	Si .4253 .0936 .25 0.28
	O1 .7664 .0924 .25 0.45
	O2 .2218 .4467 .25 0.47
	O3 .2765 .1626 .0324 0.49
	Ni1 0 0 0 .348 0.39
	Mg1 0 0 0 .652 0.39
	Ni2 .9910 .2768 .25 .052 0.48
	Mg2 .9910 .2768 .25 .948 0.48
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	Olivine
	Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
	American Mineralogist 86 (2001) 1170-1187
	Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
	A time-of-flight neutron powder diffraction and EXAFS study
	Sample: Mg75Ni25 at room temperature
	_database_code_amcsd 0002676
	4.7473 10.196 5.9597 90 90 90 Pbnm
	atom x y z occ Biso
	Si .4256 .0937 .25 0.26
	O1 .7670 .0927 .25 0.42
	O2 .2208 .4464 .25 0.45
	O3 .2763 .1627 .0325 0.45
	Ni1 0 0 0 .424 0.39
	Mg1 0 0 0 .576 0.39
	Ni2 .9908 .2765 .25 .076 0.45
	Mg2 .9908 .2765 .25 .924 0.45
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	Olivine
	Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
	American Mineralogist 86 (2001) 1170-1187
	Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
	A time-of-flight neutron powder diffraction and EXAFS study
	Sample: Mg70Ni30 at room temperature
	_database_code_amcsd 0002677
	4.7460 10.194 5.9568 90 90 90 Pbnm
	atom x y z occ Biso
	Si .4255 .0936 .25 0.25
	O1 .7675 .0928 .25 0.41
	O2 .2206 .4463 .25 0.44
	O3 .2760 .1627 .0324 0.43
	Ni1 0 0 0 .495 0.39
	Mg1 0 0 0 .505 0.39
	Ni2 .9908 .2763 .25 .105 0.44
	Mg2 .9908 .2763 .25 .895 0.44
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	Olivine
	Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
	American Mineralogist 86 (2001) 1170-1187
	Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
	A time-of-flight neutron powder diffraction and EXAFS study
	Sample: Mg50Ni50 at room temperature
	_database_code_amcsd 0002678
	4.7396 10.187 5.9467 90 90 90 Pbnm
	atom x y z occ Biso
	Si .4256 .0933 .25 0.29
	O1 .7677 .0931 .25 0.44
	O2 .2203 .4458 .25 0.47
	O3 .2756 .1624 .0316 0.48
	Ni1 0 0 0 .727 0.40
	Mg1 0 0 0 .273 0.40
	Ni2 .9914 .2754 .25 .273 0.44
	Mg2 .9914 .2754 .25 .727 0.44
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	Olivine
	Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
	American Mineralogist 86 (2001) 1170-1187
	Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
	A time-of-flight neutron powder diffraction and EXAFS study
	Sample: Mg20Ni80 at room temperature
	_database_code_amcsd 0002679
	4.7310 10.144 5.9267 90 90 90 Pbnm
	atom x y z occ Biso
	Si .4264 .0935 .25 0.25
	O1 .7701 .0936 .25 0.38
	O2 .2180 .4452 .25 0.45
	O3 .2747 .1627 .0305 0.40
	Ni1 0 0 0 .932 0.40
	Mg1 0 0 0 .068 0.40
	Ni2 .9927 .2744 .25 .668 0.40
	Mg2 .9927 .2744 .25 .332 0.40
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	Olivine
	Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
	American Mineralogist 86 (2001) 1170-1187
	Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
	A time-of-flight neutron powder diffraction and EXAFS study
	Sample: Mg50Ni50 at T = 25 C
	_database_code_amcsd 0002680
	4.74016 10.1874 5.94729 90 90 90 Pbnm
	atom x y z occ Biso
	Si .4261 .0922 .25 0.05
	O1 .7678 .0928 .25 0.26
	O2 .2209 .4460 .25 0.28
	O3 .2751 .1625 .0329 0.24
	Ni1 0 0 0 .727 0.22
	Mg1 0 0 0 .273 0.22
	Ni2 .9919 .2758 .25 .273 0.23
	Mg2 .9919 .2758 .25 .727 0.23
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	Olivine
	Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
	American Mineralogist 86 (2001) 1170-1187
	Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
	A time-of-flight neutron powder diffraction and EXAFS study
	Sample: Mg50Ni50 at T = 200 C
	_database_code_amcsd 0002681
	4.74800 10.2114 5.96047 90 90 90 Pbnm
	atom x y z occ Biso
	Si .4250 .0936 .25 0.31
	O1 .7686 .0931 .25 0.54
	O2 .2210 .4458 .25 0.52
	O3 .2753 .1621 .0319 0.52
	Ni1 0 0 0 .729 0.50
	Mg1 0 0 0 .271 0.50
	Ni2 .9922 .2760 .25 .271 0.49
	Mg2 .9922 .2760 .25 .729 0.49
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	Olivine
	Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
	American Mineralogist 86 (2001) 1170-1187
	Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
	A time-of-flight neutron powder diffraction and EXAFS study
	Sample: Mg50Ni50 at T = 300 C
	_database_code_amcsd 0002682
	4.75177 10.2259 5.96665 90 90 90 Pbnm
	atom x y z occ Biso
	Si .4253 .0934 .25 0.37
	O1 .7683 .0933 .25 0.64
	O2 .2210 .4460 .25 0.61
	O3 .2755 .1622 .0322 0.62
	Ni1 0 0 0 .731 0.60
	Mg1 0 0 0 .269 0.60
	Ni2 .9918 .2761 .25 .269 0.60
	Mg2 .9918 .2761 .25 .731 0.60
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	Olivine
	Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
	American Mineralogist 86 (2001) 1170-1187
	Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
	A time-of-flight neutron powder diffraction and EXAFS study
	Sample: Mg50Ni50 at T = 400 C
	_database_code_amcsd 0002683
	4.75574 10.2344 5.97318 90 90 90 Pbnm
	atom x y z occ Biso
	Si .4254 .0935 .25 0.44
	O1 .7680 .0933 .25 0.74
	O2 .2214 .4464 .25 0.71
	O3 .2756 .1621 .0323 0.74
	Ni1 0 0 0 .732 0.71
	Mg1 0 0 0 .268 0.71
	Ni2 .9918 .2763 .25 .268 0.70
	Mg2 .9918 .2763 .25 .732 0.70
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Olivine
	Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
	American Mineralogist 86 (2001) 1170-1187
	Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
	A time-of-flight neutron powder diffraction and EXAFS study
	Sample: Mg50Ni50 at T = 450 C
	_database_code_amcsd 0002684
	4.75871 10.2407 5.97656 90 90 90 Pbnm
	atom x y z occ Biso
	Si .4252 .0934 .25 0.49
	O1 .7679 .0932 .25 0.79
	O2 .2213 .4463 .25 0.75
	O3 .2757 .1619 .0323 0.78
	Ni1 0 0 0 .732 0.76
	Mg1 0 0 0 .268 0.76
	Ni2 .9916 .2765 .25 .268 0.75
	Mg2 .9916 .2765 .25 .732 0.75
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Olivine
	Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
	American Mineralogist 86 (2001) 1170-1187
	Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
	A time-of-flight neutron powder diffraction and EXAFS study
	Sample: Mg50Ni50 at T = 500 C
	_database_code_amcsd 0002685
	4.75984 10.2469 5.97999 90 90 90 Pbnm
	atom x y z occ Biso
	Si .4252 .0932 .25 0.52
	O1 .7676 .0932 .25 0.85
	O2 .2213 .4465 .25 0.81
	O3 .2758 .1619 .0324 0.82
	Ni1 0 0 0 .726 0.80
	Mg1 0 0 0 .274 0.80
	Ni2 .9912 .2765 .25 .274 0.84
	Mg2 .9912 .2765 .25 .726 0.84
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Olivine
	Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
	American Mineralogist 86 (2001) 1170-1187
	Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
	A time-of-flight neutron powder diffraction and EXAFS study
	Sample: Mg50Ni50 at T = 550 C
	_database_code_amcsd 0002686
	4.76202 10.2534 5.98349 90 90 90 Pbnm
	atom x y z occ Biso
	Si .4251 .0931 .25 0.54
	O1 .7674 .0934 .25 0.88
	O2 .2212 .4467 .25 0.86
	O3 .2758 .1619 .0327 0.89
	Ni1 0 0 0 .731 0.86
	Mg1 0 0 0 .269 0.86
	Ni2 .9912 .2766 .25 .269 0.89
	Mg2 .9912 .2766 .25 .731 0.89
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Olivine
	Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
	American Mineralogist 86 (2001) 1170-1187
	Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
	A time-of-flight neutron powder diffraction and EXAFS study
	Sample: Mg50Ni50 at T = 600 C
	_database_code_amcsd 0002687
	4.76419 10.2603 5.98710 90 90 90 Pbnm
	atom x y z occ Biso
	Si .4254 .0929 .25 0.60
	O1 .7672 .0935 .25 0.94
	O2 .2215 .4467 .25 0.92
	O3 .2759 .1619 .0326 0.94
	Ni1 0 0 0 .730 0.91
	Mg1 0 0 0 .270 0.91
	Ni2 .9911 .2767 .25 .270 0.95
	Mg2 .9911 .2767 .25 .730 0.95
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Olivine
	Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
	American Mineralogist 86 (2001) 1170-1187
	Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
	A time-of-flight neutron powder diffraction and EXAFS study
	Sample: Mg50Ni50 at T = 650 C
	_database_code_amcsd 0002688
	4.76626 10.2672 5.99066 90 90 90 Pbnm
	atom x y z occ Biso
	Si .4251 .0930 .25 0.63
	O1 .7672 .0935 .25 1.00
	O2 .2215 .4469 .25 0.98
	O3 .2759 .1619 .0327 1.00
	Ni1 0 0 0 .740 0.97
	Mg1 0 0 0 .260 0.97
	Ni2 .9907 .2768 .25 .260 1.01
	Mg2 .9907 .2768 .25 .740 1.01
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Olivine
	Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
	American Mineralogist 86 (2001) 1170-1187
	Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
	A time-of-flight neutron powder diffraction and EXAFS study
	Sample: Mg50Ni50 at T = 700 C
	_database_code_amcsd 0002689
	4.76809 10.2754 5.99411 90 90 90 Pbnm
	atom x y z occ Biso
	Si .4252 .0929 .25 0.69
	O1 .7670 .0936 .25 1.08
	O2 .2216 .4469 .25 1.02
	O3 .2759 .1618 .0328 1.05
	Ni1 0 0 0 .746 1.02
	Mg1 0 0 0 .254 1.02
	Ni2 .9903 .2768 .25 .254 1.09
	Mg2 .9903 .2768 .25 .746 1.09
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Olivine
	Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
	American Mineralogist 86 (2001) 1170-1187
	Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
	A time-of-flight neutron powder diffraction and EXAFS study
	Sample: Mg50Ni50 at T = 750 C
	_database_code_amcsd 0002690
	4.77029 10.2835 5.99796 90 90 90 Pbnm
	atom x y z occ Biso
	Si .4251 .0927 .25 0.73
	O1 .7667 .0936 .25 1.14
	O2 .2218 .4472 .25 1.11
	O3 .2759 .1616 .0329 1.11
	Ni1 0 0 0 .761 1.09
	Mg1 0 0 0 .239 1.09
	Ni2 .9899 .2771 .25 .239 1.16
	Mg2 .9899 .2771 .25 .761 1.16
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Olivine
	Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
	American Mineralogist 86 (2001) 1170-1187
	Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
	A time-of-flight neutron powder diffraction and EXAFS study
	Sample: Mg50Ni50 at T = 800 C
	_database_code_amcsd 0002691
	4.77267 10.2901 6.00184 90 90 90 Pbnm
	atom x y z occ Biso
	Si .4250 .0927 .25 0.76
	O1 .7664 .0935 .25 1.21
	O2 .2214 .4473 .25 1.16
	O3 .2761 .1617 .0330 1.17
	Ni1 0 0 0 .750 1.14
	Mg1 0 0 0 .250 1.14
	Ni2 .9900 .2771 .25 .250 1.22
	Mg2 .9900 .2771 .25 .750 1.22
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Olivine
	Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
	American Mineralogist 86 (2001) 1170-1187
	Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
	A time-of-flight neutron powder diffraction and EXAFS study
	Sample: Mg50Ni50 at T = 850 C
	_database_code_amcsd 0002692
	4.77504 10.2960 6.00539 90 90 90 Pbnm
	atom x y z occ Biso
	Si .4252 .0926 .25 0.81
	O1 .7662 .0936 .25 1.26
	O2 .2215 .4475 .25 1.22
	O3 .2762 .1617 .0333 1.21
	Ni1 0 0 0 .749 1.21
	Mg1 0 0 0 .251 1.21
	Ni2 .9895 .2774 .25 .251 1.26
	Mg2 .9895 .2774 .25 .749 1.26
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Olivine
	Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
	American Mineralogist 86 (2001) 1170-1187
	Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
	A time-of-flight neutron powder diffraction and EXAFS study
	Sample: Mg50Ni50 at T = 900 C
	_database_code_amcsd 0002693
	4.77773 10.3026 6.00950 90 90 90 Pbnm
	atom x y z occ Biso
	Si .4251 .0925 .25 0.86
	O1 .7662 .0935 .25 1.36
	O2 .2217 .4477 .25 1.26
	O3 .2763 .1616 .0334 1.27
	Ni1 0 0 0 .732 1.26
	Mg1 0 0 0 .268 1.26
	Ni2 .9894 .2773 .25 .268 1.38
	Mg2 .9894 .2773 .25 .732 1.38
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Olivine
	Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
	American Mineralogist 86 (2001) 1170-1187
	Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
	A time-of-flight neutron powder diffraction and EXAFS study
	Sample: Mg50Ni50 at T = 950 C
	_database_code_amcsd 0002694
	4.78014 10.3088 6.01327 90 90 90 Pbnm
	atom x y z occ Biso
	Si .4253 .0923 .25 0.90
	O1 .7662 .0936 .25 1.40
	O2 .2216 .4478 .25 1.36
	O3 .2762 .1615 .0332 1.34
	Ni1 0 0 0 .726 1.35
	Mg1 0 0 0 .274 1.35
	Ni2 .9892 .2773 .25 .274 1.40
	Mg2 .9892 .2773 .25 .726 1.40
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Olivine
	Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
	American Mineralogist 86 (2001) 1170-1187
	Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
	A time-of-flight neutron powder diffraction and EXAFS study
	Sample: Mg50Ni50 at T = 1000 C
	_database_code_amcsd 0002695
	4.78269 10.3155 6.01747 90 90 90 Pbnm
	atom x y z occ Biso
	Si .4250 .0924 .25 0.95
	O1 .7661 .0937 .25 1.45
	O2 .2218 .4481 .25 1.39
	O3 .2765 .1617 .0335 1.38
	Ni1 0 0 0 .720 1.39
	Mg1 0 0 0 .280 1.39
	Ni2 .9898 .2776 .25 .280 1.49
	Mg2 .9898 .2776 .25 .720 1.49
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Olivine
	Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
	American Mineralogist 86 (2001) 1170-1187
	Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
	A time-of-flight neutron powder diffraction and EXAFS study
	Sample: Mg50Ni50 at T = 1050 C
	_database_code_amcsd 0002696
	4.78522 10.3224 6.02158 90 90 90 Pbnm
	atom x y z occ Biso
	Si .4253 .0926 .25 0.99
	O1 .7658 .0936 .25 1.51
	O2 .2218 .4481 .25 1.45
	O3 .2765 .1616 .0336 1.47
	Ni1 0 0 0 .711 1.47
	Mg1 0 0 0 .289 1.47
	Ni2 .9897 .2777 .25 .289 1.57
	Mg2 .9897 .2777 .25 .711 1.57
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Olivine
	Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
	American Mineralogist 86 (2001) 1170-1187
	Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
	A time-of-flight neutron powder diffraction and EXAFS study
	Sample: Mg50Ni50 at T = 1100 C
	_database_code_amcsd 0002697
	4.78795 10.3296 6.02598 90 90 90 Pbnm
	atom x y z occ Biso
	Si .4254 .0922 .25 1.03
	O1 .7660 .0939 .25 1.61
	O2 .2217 .4484 .25 1.55
	O3 .2765 .1616 .0337 1.52
	Ni1 0 0 0 .702 1.53
	Mg1 0 0 0 .298 1.53
	Ni2 .9890 .2776 .25 .298 1.69
	Mg2 .9890 .2776 .25 .702 1.69
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Olivine
	Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
	American Mineralogist 86 (2001) 1170-1187
	Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
	A time-of-flight neutron powder diffraction and EXAFS study
	Sample: Mg50Ni50 at T = 850 C, on cooling
	_database_code_amcsd 0002698
	4.77555 10.2926 6.00582 90 90 90 Pbnm
	atom x y z occ Biso
	Si .4250 .0922 .25 0.79
	O1 .7664 .0936 .25 1.26
	O2 .2219 .4476 .25 1.22
	O3 .2765 .1618 .0331 1.24
	Ni1 0 0 0 .738 1.21
	Mg1 0 0 0 .262 1.21
	Ni2 .9903 .2772 .25 .262 1.29
	Mg2 .9903 .2772 .25 .738 1.29
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Olivine
	Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
	American Mineralogist 86 (2001) 1170-1187
	Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
	A time-of-flight neutron powder diffraction and EXAFS study
	Sample: Mg50Ni50 at T = 750 C, on cooling
	_database_code_amcsd 0002699
	4.77091 10.2828 5.99795 90 90 90 Pbnm
	atom x y z occ Biso
	Si .4247 .0928 .25 0.74
	O1 .7668 .0934 .25 1.14
	O2 .2216 .4471 .25 1.08
	O3 .2762 .1618 .0330 1.10
	Ni1 0 0 0 .737 1.06
	Mg1 0 0 0 .263 1.06
	Ni2 .9903 .2771 .25 .263 1.19
	Mg2 .9903 .2771 .25 .737 1.19
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Olivine
	Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
	American Mineralogist 86 (2001) 1170-1187
	Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
	A time-of-flight neutron powder diffraction and EXAFS study
	Sample: Mg50Ni50 at T = 650 C, on cooling
	_database_code_amcsd 0002700
	4.76655 10.2694 5.99104 90 90 90 Pbnm
	atom x y z occ Biso
	Si .4254 .0931 .25 0.61
	O1 .7671 .0934 .25 0.98
	O2 .2213 .4468 .25 1.00
	O3 .2757 .1619 .0329 1.01
	Ni1 0 0 0 .746 0.96
	Mg1 0 0 0 .254 0.96
	Ni2 .9905 .2769 .25 .254 1.02
	Mg2 .9905 .2769 .25 .746 1.02
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Olivine
	Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
	American Mineralogist 86 (2001) 1170-1187
	Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
	A time-of-flight neutron powder diffraction and EXAFS study
	Sample: Mg50Ni50 at T = 550 C, on cooling
	_database_code_amcsd 0002701
	4.76218 10.2564 5.98397 90 90 90 Pbnm
	atom x y z occ Biso
	Si .4251 .0931 .25 0.55
	O1 .7674 .0933 .25 0.87
	O2 .2215 .4465 .25 0.88
	O3 .2758 .1619 .0328 0.90
	Ni1 0 0 0 .743 0.83
	Mg1 0 0 0 .257 0.83
	Ni2 .9910 .2769 .25 .257 0.90
	Mg2 .9910 .2769 .25 .743 0.90
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Olivine
	Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
	American Mineralogist 86 (2001) 1170-1187
	Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
	A time-of-flight neutron powder diffraction and EXAFS study
	Sample: Mg50Ni50 at T = 350 C, on cooling
	_database_code_amcsd 0002702
	4.75397 10.2317 5.97049 90 90 90 Pbnm
	atom x y z occ Biso
	Si .4250 .0936 .25 0.42
	O1 .7680 .0934 .25 0.69
	O2 .2212 .4461 .25 0.66
	O3 .2754 .1620 .0323 0.67
	Ni1 0 0 0 .750 0.64
	Mg1 0 0 0 .250 0.64
	Ni2 .9914 .2763 .25 .250 0.66
	Mg2 .9914 .2763 .25 .750 0.66
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Olivine
	Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
	American Mineralogist 86 (2001) 1170-1187
	Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
	A time-of-flight neutron powder diffraction and EXAFS study
	Sample: Mg50Ni50 at T = 25 C, on cooling
	_database_code_amcsd 0002703
	4.73717 10.1870 5.94660 90 90 90 Pbnm
	atom x y z occ Biso
	Si .4256 .0932 .25 0.22
	O1 .7679 .0932 .25 0.33
	O2 .2203 .4457 .25 0.36
	O3 .2756 .1625 .0318 0.36
	Ni1 0 0 0 .748 0.31
	Mg1 0 0 0 .252 0.31
	Ni2 .9910 .2754 .25 .252 0.30
	Mg2 .9910 .2754 .25 .748 0.30
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Olivine
	Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
	American Mineralogist 86 (2001) 1170-1187
	Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
	A time-of-flight neutron powder diffraction and EXAFS study
	Sample: Mg80Ni20 at T = 25 C
	_database_code_amcsd 0002704
	4.74955 10.2019 5.96718 90 90 90 Pbnm
	atom x y z occ Biso
	Si .4258 .0939 .25 0.14
	O1 .7672 .0926 .25 0.29
	O2 .2223 .4466 .25 0.31
	O3 .2757 .1627 .0324 0.30
	Ni1 0 0 0 .347 0.23
	Mg1 0 0 0 .653 0.23
	Ni2 .9914 .2769 .25 .053 0.29
	Mg2 .9914 .2769 .25 .947 0.29
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Olivine
	Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
	American Mineralogist 86 (2001) 1170-1187
	Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
	A time-of-flight neutron powder diffraction and EXAFS study
	Sample: Mg80Ni20 at T = 200 C
	_database_code_amcsd 0002705
	4.75769 10.2279 5.98117 90 90 90 Pbnm
	atom x y z occ Biso
	Si .4257 .0938 .25 0.31
	O1 .7667 .0926 .25 0.51
	O2 .2223 .4471 .25 0.53
	O3 .2762 .1625 .0328 0.54
	Ni1 0 0 0 .349 0.48
	Mg1 0 0 0 .651 0.48
	Ni2 .9911 .2773 .25 .051 0.54
	Mg2 .9911 .2773 .25 .949 0.54
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Olivine
	Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
	American Mineralogist 86 (2001) 1170-1187
	Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
	A time-of-flight neutron powder diffraction and EXAFS study
	Sample: Mg80Ni20 at T = 300 C
	_database_code_amcsd 0002706
	4.76127 10.2391 5.98720 90 90 90 Pbnm
	atom x y z occ Biso
	Si .4254 .0937 .25 0.36
	O1 .7663 .0927 .25 0.56
	O2 .2223 .4474 .25 0.62
	O3 .2764 .1625 .0331 0.64
	Ni1 0 0 0 .351 0.58
	Mg1 0 0 0 .649 0.58
	Ni2 .9909 .2775 .25 .049 0.64
	Mg2 .9909 .2775 .25 .951 0.64
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Olivine
	Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
	American Mineralogist 86 (2001) 1170-1187
	Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
	A time-of-flight neutron powder diffraction and EXAFS study
	Sample: Mg80Ni20 at T = 400 C
	_database_code_amcsd 0002707
	4.76517 10.2566 5.99363 90 90 90 Pbnm
	atom x y z occ Biso
	Si .4256 .0935 .25 0.43
	O1 .7660 .0927 .25 0.70
	O2 .2223 .4476 .25 0.71
	O3 .2765 .1624 .0332 0.74
	Ni1 0 0 0 .350 0.67
	Mg1 0 0 0 .650 0.67
	Ni2 .9903 .2776 .25 .050 0.75
	Mg2 .9903 .2776 .25 .950 0.75
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Olivine
	Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
	American Mineralogist 86 (2001) 1170-1187
	Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
	A time-of-flight neutron powder diffraction and EXAFS study
	Sample: Mg80Ni20 at T = 450 C
	_database_code_amcsd 0002708
	4.76710 10.2573 5.99691 90 90 90 Pbnm
	atom x y z occ Biso
	Si .4256 .0932 .25 0.48
	O1 .7659 .0927 .25 0.75
	O2 .2223 .4478 .25 0.76
	O3 .2766 .1624 .0333 0.78
	Ni1 0 0 0 .349 0.73
	Mg1 0 0 0 .651 0.73
	Ni2 .9904 .2778 .25 .051 0.81
	Mg2 .9904 .2778 .25 .949 0.81
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Olivine
	Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
	American Mineralogist 86 (2001) 1170-1187
	Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
	A time-of-flight neutron powder diffraction and EXAFS study
	Sample: Mg80Ni20 at T = 500 C
	_database_code_amcsd 0002709
	4.76919 10.2639 6.00034 90 90 90 Pbnm
	atom x y z occ Biso
	Si .4257 .0932 .25 0.50
	O1 .7658 .0927 .25 0.80
	O2 .2226 .4479 .25 0.82
	O3 .2769 .1625 .0334 0.85
	Ni1 0 0 0 .351 0.79
	Mg1 0 0 0 .649 0.79
	Ni2 .9902 .2778 .25 .049 0.85
	Mg2 .9902 .2778 .25 .951 0.85
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Olivine
	Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
	American Mineralogist 86 (2001) 1170-1187
	Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
	A time-of-flight neutron powder diffraction and EXAFS study
	Sample: Mg80Ni20 at T = 550 C
	_database_code_amcsd 0002710
	4.77133 10.2707 6.00390 90 90 90 Pbnm
	atom x y z occ Biso
	Si .4255 .0931 .25 0.55
	O1 .7657 .0926 .25 0.85
	O2 .2224 .4481 .25 0.85
	O3 .2768 .1624 .0336 0.90
	Ni1 0 0 0 .352 0.84
	Mg1 0 0 0 .648 0.84
	Ni2 .9901 .2780 .25 .048 0.92
	Mg2 .9901 .2780 .25 .952 0.92
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Olivine
	Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
	American Mineralogist 86 (2001) 1170-1187
	Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
	A time-of-flight neutron powder diffraction and EXAFS study
	Sample: Mg80Ni20 at T = 600 C
	_database_code_amcsd 0002711
	4.77346 10.2781 6.00745 90 90 90 Pbnm
	atom x y z occ Biso
	Si .4256 .0931 .25 0.59
	O1 .7653 .0923 .25 0.92
	O2 .2226 .4482 .25 0.92
	O3 .2769 .1623 .0336 0.95
	Ni1 0 0 0 .357 0.90
	Mg1 0 0 0 .643 0.90
	Ni2 .9900 .2782 .25 .043 0.99
	Mg2 .9900 .2782 .25 .957 0.99
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Olivine
	Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
	American Mineralogist 86 (2001) 1170-1187
	Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
	A time-of-flight neutron powder diffraction and EXAFS study
	Sample: Mg80Ni20 at T = 650 C
	_database_code_amcsd 0002712
	4.77567 10.2856 6.01107 90 90 90 Pbnm
	atom x y z occ Biso
	Si .4254 .0928 .25 0.63
	O1 .7652 .0928 .25 0.99
	O2 .2227 .4483 .25 0.98
	O3 .2770 .1624 .0337 1.01
	Ni1 0 0 0 .358 0.96
	Mg1 0 0 0 .642 0.96
	Ni2 .9895 .2782 .25 .042 1.06
	Mg2 .9895 .2782 .25 .958 1.06
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Olivine
	Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
	American Mineralogist 86 (2001) 1170-1187
	Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
	A time-of-flight neutron powder diffraction and EXAFS study
	Sample: Mg80Ni20 at T = 700 C
	_database_code_amcsd 0002713
	4.77799 10.2928 6.01488 90 90 90 Pbnm
	atom x y z occ Biso
	Si .4252 .0929 .25 0.66
	O1 .7651 .0926 .25 1.04
	O2 .2226 .4485 .25 1.04
	O3 .2770 .1623 .0338 1.05
	Ni1 0 0 0 .358 1.00
	Mg1 0 0 0 .642 1.00
	Ni2 .9894 .2784 .25 .042 1.12
	Mg2 .9894 .2784 .25 .958 1.12
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Olivine
	Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
	American Mineralogist 86 (2001) 1170-1187
	Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
	A time-of-flight neutron powder diffraction and EXAFS study
	Sample: Mg80Ni20 at T = 750 C
	_database_code_amcsd 0002714
	4.78036 10.2998 6.01881 90 90 90 Pbnm
	atom x y z occ Biso
	Si .4253 .0928 .25 0.71
	O1 .7650 .0930 .25 1.10
	O2 .2227 .4486 .25 1.10
	O3 .2771 .1623 .0340 1.12
	Ni1 0 0 0 .358 1.07
	Mg1 0 0 0 .642 1.07
	Ni2 .9893 .2785 .25 .042 1.18
	Mg2 .9893 .2785 .25 .958 1.18
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Olivine
	Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
	American Mineralogist 86 (2001) 1170-1187
	Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
	A time-of-flight neutron powder diffraction and EXAFS study
	Sample: Mg80Ni20 at T = 800 C
	_database_code_amcsd 0002715
	4.78256 10.3064 6.02259 90 90 90 Pbnm
	atom x y z occ Biso
	Si .4255 .0927 .25 0.76
	O1 .7647 .0927 .25 1.16
	O2 .2227 .4488 .25 1.15
	O3 .2772 .1623 .0341 1.18
	Ni1 0 0 0 .351 1.13
	Mg1 0 0 0 .649 1.13
	Ni2 .9892 .2786 .25 .049 1.25
	Mg2 .9892 .2786 .25 .951 1.25
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Olivine
	Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
	American Mineralogist 86 (2001) 1170-1187
	Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
	A time-of-flight neutron powder diffraction and EXAFS study
	Sample: Mg80Ni20 at T = 850 C
	_database_code_amcsd 0002716
	4.78467 10.3127 6.02620 90 90 90 Pbnm
	atom x y z occ Biso
	Si .4256 .0926 .25 0.78
	O1 .7649 .0928 .25 1.22
	O2 .2226 .4492 .25 1.12
	O3 .2772 .1623 .0341 1.23
	Ni1 0 0 0 .345 1.20
	Mg1 0 0 0 .655 1.20
	Ni2 .9892 .2786 .25 .055 1.36
	Mg2 .9892 .2786 .25 .945 1.36
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Olivine
	Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
	American Mineralogist 86 (2001) 1170-1187
	Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
	A time-of-flight neutron powder diffraction and EXAFS study
	Sample: Mg80Ni20 at T = 900 C
	_database_code_amcsd 0002717
	4.78701 10.3194 6.03014 90 90 90 Pbnm
	atom x y z occ Biso
	Si .4257 .0925 .25 0.83
	O1 .7644 .0928 .25 1.30
	O2 .2228 .4494 .25 1.30
	O3 .2773 .1621 .0341 1.31
	Ni1 0 0 0 .336 1.27
	Mg1 0 0 0 .664 1.27
	Ni2 .9891 .2789 .25 .067 1.44
	Mg2 .9891 .2789 .25 .936 1.44
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Olivine
	Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
	American Mineralogist 86 (2001) 1170-1187
	Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
	A time-of-flight neutron powder diffraction and EXAFS study
	Sample: Mg80Ni20 at T = 950 C
	_database_code_amcsd 0002718
	4.78910 10.3259 6.03362 90 90 90 Pbnm
	atom x y z occ Biso
	Si .4257 .0925 .25 0.89
	O1 .7641 .0928 .25 1.37
	O2 .2228 .4495 .25 1.34
	O3 .2775 .1624 .0344 1.38
	Ni1 0 0 0 .337 1.34
	Mg1 0 0 0 .663 1.34
	Ni2 .9896 .2789 .25 .063 1.51
	Mg2 .9896 .2789 .25 .937 1.51
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Olivine
	Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
	American Mineralogist 86 (2001) 1170-1187
	Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
	A time-of-flight neutron powder diffraction and EXAFS study
	Sample: Mg80Ni20 at T = 1000 C
	_database_code_amcsd 0002719
	4.79136 10.3323 6.03741 90 90 90 Pbnm
	atom x y z occ Biso
	Si .4253 .0927 .25 0.93
	O1 .7641 .0931 .25 1.44
	O2 .2229 .4495 .25 1.44
	O3 .2776 .1624 .0345 1.43
	Ni1 0 0 0 .335 1.41
	Mg1 0 0 0 .665 1.41
	Ni2 .9889 .2790 .25 .065 1.57
	Mg2 .9889 .2790 .25 .935 1.57
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Olivine
	Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
	American Mineralogist 86 (2001) 1170-1187
	Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
	A time-of-flight neutron powder diffraction and EXAFS study
	Sample: Mg80Ni20 at T = 1100 C
	_database_code_amcsd 0002720
	4.79608 10.3467 6.04574 90 90 90 Pbnm
	atom x y z occ Biso
	Si .4257 .0926 .25 1.01
	O1 .7639 .0929 .25 1.58
	O2 .2231 .4450 .25 1.54
	O3 .2778 .1622 .0347 1.59
	Ni1 0 0 0 .324 1.58
	Mg1 0 0 0 .676 1.58
	Ni2 .9891 .2791 .25 .076 1.72
	Mg2 .9891 .2791 .25 .924 1.72
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Olivine
	Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
	American Mineralogist 86 (2001) 1170-1187
	Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
	A time-of-flight neutron powder diffraction and EXAFS study
	Sample: Mg80Ni20 at T = 300 C, on cooling
	_database_code_amcsd 0002721
	4.75898 10.2340 5.98423 90 90 90 Pbnm
	atom x y z occ Biso
	Si .4259 .0937 .25 0.37
	O1 .7664 .0926 .25 0.60
	O2 .2222 .4474 .25 0.60
	O3 .2763 .1625 .0332 0.64
	Ni1 0 0 0 .349 0.58
	Mg1 0 0 0 .651 0.58
	Ni2 .9910 .2775 .25 .051 0.63
	Mg2 .9910 .2775 .25 .949 0.63
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Olivine
	Henderson C M B, Redfern S A T, Smith R I, Knight K S, Charnock J M
	American Mineralogist 86 (2001) 1170-1187
	Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions:
	A time-of-flight neutron powder diffraction and EXAFS study
	Sample: Mg80Ni20 at T = 25 C, on cooling
	_database_code_amcsd 0002722
	4.74737 10.2069 5.96790 90 90 90 Pbnm
	atom x y z occ Biso
	Si .4256 .0937 .25 0.21
	O1 .7666 .0926 .25 0.35
	O2 .2219 .4467 .25 0.38
	O3 .2765 .1627 .0324 0.37
	Ni1 0 0 0 .349 0.32
	Mg1 0 0 0 .651 0.32
	Ni2 .9908 .2767 .25 .051 0.34
	Mg2 .9908 .2767 .25 .949 0.34
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Leucophoenicite
	Welch M D, Marshall W G, Ross N L, Knight K S
	American Mineralogist 87 (2002) 154-159
	H positions in leucophoenicite, Mn7Si3(OH)2:
	A close relative of the hydrous B phases
	Locality: Franklin, New Jersey, USA
	_database_code_amcsd 0002751
	10.8259 4.8565 11.3758 90 103.956 90 P2_1/a
	atom x y z occ Uiso
	Mn1 0 0 0 .0134
	Mn2 .3149 .015 .1396 .64 .0134
	Ca2 .3149 .015 .1396 .32 .0134
	Mg2 .3149 .015 .1396 .02 .0134
	Zn2 .3149 .015 .1396 .02 .0134
	Mn3 .3308 .496 .4157 .0134
	Mn4 .0870 -.009 .2957 .0134
	Si1 .0209 .423 .4366 .5 .0052
	Si2 .1271 .5753 .1418 .0052
	O1 .4916 -.2174 .1463 .0094
	O2 .3398 .2198 -.0238 .0141
	O3 .2270 -.2901 .2595 .0055
	O4 .4151 .241 .3041 .022
	O5 .1753 .2539 .4381 .0134
	O6 .1271 .2457 .1442 .0079
	O7 .5227 .758 .4370 .026
	H1 -.066 .421 .326 .5 .015
	H2 .1265 .404 .436 .5 .015
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Jadeite
	Knight K S, Price G D
	The Canadian Mineralogist 46 (2008) 1593-1622
	Powder neutron-diffraction studies of clinopyroxenes. I. The crystal structure
	and thermoelastic properties of jadeite between 1.5 and 270 K
	Locality: Hweka and Mamon mining district, Burma
	Note: T = 2.4 K
	_database_code_amcsd 0006243
	9.41591 8.55521 5.22073 90 107.5641 90 C2/c
	atom x y z Uiso
	Na 0 .3012 .25 .0049
	Al 0 .9070 .25 .0016
	Si .29103 .09346 .22808 .00138
	O1 .10923 .07611 .12852 .00316
	O2 .36083 .26339 .29370 .00321
	O3 .35379 .00773 .00611 .00295
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Jadeite
	Knight K S, Price G D
	The Canadian Mineralogist 46 (2008) 1593-1622
	Powder neutron-diffraction studies of clinopyroxenes. I. The crystal structure
	and thermoelastic properties of jadeite between 1.5 and 270 K
	Locality: Hweka and Mamon mining district, Burma
	Note: T = 10.3 K
	Note: b parameter changed from paper
	_database_code_amcsd 0006244
	9.41591 8.55521 5.22073 90 107.5641 90 C2/c
	atom x y z Uiso
	Na 0 .3010 .25 .0050
	Al 0 .9070 .25 .0017
	Si .29097 .09342 .22806 .00138
	O1 .10921 .07611 .12841 .00315
	O2 .36088 .26341 .29378 .00316
	O3 .35376 .00772 .00612 .00292
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Jadeite
	Knight K S, Price G D
	The Canadian Mineralogist 46 (2008) 1593-1622
	Powder neutron-diffraction studies of clinopyroxenes. I. The crystal structure
	and thermoelastic properties of jadeite between 1.5 and 270 K
	Locality: Hweka and Mamon mining district, Burma
	Note: T = 19.7 K
	_database_code_amcsd 0006245
	9.41591 8.55521 5.22073 90 107.5641 90 C2/c
	atom x y z Uiso
	Na 0 .3011 .25 .0049
	Al 0 .9070 .25 .0016
	Si .29103 .09349 .22815 .00137
	O1 .10920 .07611 .12849 .00313
	O2 .36083 .26342 .29370 .00315
	O3 .35380 .00774 .00609 .00297
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Jadeite
	Knight K S, Price G D
	The Canadian Mineralogist 46 (2008) 1593-1622
	Powder neutron-diffraction studies of clinopyroxenes. I. The crystal structure
	and thermoelastic properties of jadeite between 1.5 and 270 K
	Locality: Hweka and Mamon mining district, Burma
	Note: T = 29.5 K
	_database_code_amcsd 0006246
	9.41591 8.55521 5.22073 90 107.5642 90 C2/c
	atom x y z Uiso
	Na 0 .3011 .25 .0049
	Al 0 .9070 .25 .0016
	Si .29102 .09347 .22813 .00137
	O1 .10924 .07613 .12851 .00316
	O2 .36087 .26339 .29367 .00318
	O3 .35382 .00769 .00613 .00298
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Jadeite
	Knight K S, Price G D
	The Canadian Mineralogist 46 (2008) 1593-1622
	Powder neutron-diffraction studies of clinopyroxenes. I. The crystal structure
	and thermoelastic properties of jadeite between 1.5 and 270 K
	Locality: Hweka and Mamon mining district, Burma
	Note: T = 39.0 K
	_database_code_amcsd 0006247
	9.41591 8.55521 5.22073 90 107.5645 90 C2/c
	atom x y z Uiso
	Na 0 .3011 .25 .0051
	Al 0 .9070 .25 .0015
	Si .29106 .09347 .22806 .00138
	O1 .10923 .07614 .12844 .00326
	O2 .36087 .26340 .29370 .00320
	O3 .35381 .00772 .00618 .00299
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Jadeite
	Knight K S, Price G D
	The Canadian Mineralogist 46 (2008) 1593-1622
	Powder neutron-diffraction studies of clinopyroxenes. I. The crystal structure
	and thermoelastic properties of jadeite between 1.5 and 270 K
	Locality: Hweka and Mamon mining district, Burma
	Note: T = 47.5 K
	_database_code_amcsd 0006248
	9.41592 8.55523 5.22073 90 107.5650 90 C2/c
	atom x y z Uiso
	Na 0 .3011 .25 .0051
	Al 0 .9070 .25 .0016
	Si .29104 .09350 .22813 .00141
	O1 .10922 .07613 .12848 .00326
	O2 .36088 .26342 .29375 .00322
	O3 .35377 .00772 .00608 .00300
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Jadeite
	Knight K S, Price G D
	The Canadian Mineralogist 46 (2008) 1593-1622
	Powder neutron-diffraction studies of clinopyroxenes. I. The crystal structure
	and thermoelastic properties of jadeite between 1.5 and 270 K
	Locality: Hweka and Mamon mining district, Burma
	Note: T = 55.1 K
	_database_code_amcsd 0006249
	9.41594 8.55527 5.22074 90 107.5655 90 C2/c
	atom x y z Uiso
	Na 0 .3012 .25 .0053
	Al 0 .9069 .25 .0016
	Si .29107 .09349 .22808 .00144
	O1 .10921 .07614 .12844 .00324
	O2 .36084 .26335 .29368 .00327
	O3 .35374 .00771 .00615 .00307
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Jadeite
	Knight K S, Price G D
	The Canadian Mineralogist 46 (2008) 1593-1622
	Powder neutron-diffraction studies of clinopyroxenes. I. The crystal structure
	and thermoelastic properties of jadeite between 1.5 and 270 K
	Locality: Hweka and Mamon mining district, Burma
	Note: T = 64.0 K
	_database_code_amcsd 0006250
	9.41599 8.55535 5.22075 90 107.5662 90 C2/c
	atom x y z Uiso
	Na 0 .3011 .25 .0055
	Al 0 .9071 .25 .0017
	Si .29104 .09349 .2281 .00150
	O1 .10923 .07612 .12847 .00342
	O2 .36083 .26338 .29368 .00341
	O3 .35377 .00771 .00616 .00319
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Jadeite
	Knight K S, Price G D
	The Canadian Mineralogist 46 (2008) 1593-1622
	Powder neutron-diffraction studies of clinopyroxenes. I. The crystal structure
	and thermoelastic properties of jadeite between 1.5 and 270 K
	Locality: Hweka and Mamon mining district, Burma
	Note: T = 73.4 K
	_database_code_amcsd 0006251
	9.41607 8.55547 5.22077 90 107.5670 90 C2/c
	atom x y z Uiso
	Na 0 .3010 .25 .0055
	Al 0 .9071 .25 .0016
	Si .29105 .09342 .2281 .00145
	O1 .10922 .07609 .12840 .00329
	O2 .36086 .26339 .29370 .00339
	O3 .35382 .00769 .00614 .00318
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Jadeite
	Knight K S, Price G D
	The Canadian Mineralogist 46 (2008) 1593-1622
	Powder neutron-diffraction studies of clinopyroxenes. I. The crystal structure
	and thermoelastic properties of jadeite between 1.5 and 270 K
	Locality: Hweka and Mamon mining district, Burma
	Note: T = 83.0 K
	_database_code_amcsd 0006252
	9.41620 8.55566 5.22080 90 107.5677 90 C2/c
	atom x y z Uiso
	Na 0 .3011 .25 .0057
	Al 0 .9069 .25 .0018
	Si .29104 .09344 .2281 .00149
	O1 .10921 .07608 .12844 .00331
	O2 .36087 .26338 .29363 .00337
	O3 .35379 .00767 .00617 .00316
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Jadeite
	Knight K S, Price G D
	The Canadian Mineralogist 46 (2008) 1593-1622
	Powder neutron-diffraction studies of clinopyroxenes. I. The crystal structure
	and thermoelastic properties of jadeite between 1.5 and 270 K
	Locality: Hweka and Mamon mining district, Burma
	Note: T = 96.5 K
	_database_code_amcsd 0006253
	9.41644 8.55600 5.22088 90 107.5686 90 C2/c
	atom x y z Uiso
	Na 0 .3012 .25 .0059
	Al 0 .9070 .25 .0018
	Si .29100 .09347 .22805 .00153
	O1 .10919 .07607 .12845 .00336
	O2 .36083 .26338 .29356 .00349
	O3 .35378 .00768 .00615 .00322
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Jadeite
	Knight K S, Price G D
	The Canadian Mineralogist 46 (2008) 1593-1622
	Powder neutron-diffraction studies of clinopyroxenes. I. The crystal structure
	and thermoelastic properties of jadeite between 1.5 and 270 K
	Locality: Hweka and Mamon mining district, Burma
	Note: T = 106.4 K
	_database_code_amcsd 0006254
	9.41666 8.55631 5.22095 90 107.5692 90 C2/c
	atom x y z Uiso
	Na 0 .3011 .25 .0061
	Al 0 .9069 .25 .0019
	Si .29103 .09340 .2281 .00168
	O1 .10919 .07605 .12837 .00352
	O2 .36084 .26335 .29361 .00366
	O3 .35380 .00765 .00616 .00338
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	Jadeite
	Knight K S, Price G D
	The Canadian Mineralogist 46 (2008) 1593-1622
	Powder neutron-diffraction studies of clinopyroxenes. I. The crystal structure
	and thermoelastic properties of jadeite between 1.5 and 270 K
	Locality: Hweka and Mamon mining district, Burma
	Note: T = 114.5 K
	_database_code_amcsd 0006255
	9.41686 8.55660 5.22101 90 107.5695 90 C2/c
	atom x y z Uiso
	Na 0 .3012 .25 .0065
	Al 0 .9068 .25 .0020
	Si .29105 .09342 .2280 .00166
	O1 .10915 .07600 .12841 .00351
	O2 .36079 .26335 .29355 .00370
	O3 .35381 .00760 .00613 .00343
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	Jadeite
	Knight K S, Price G D
	The Canadian Mineralogist 46 (2008) 1593-1622
	Powder neutron-diffraction studies of clinopyroxenes. I. The crystal structure
	and thermoelastic properties of jadeite between 1.5 and 270 K
	Locality: Hweka and Mamon mining district, Burma
	Note: T = 121.9 K
	_database_code_amcsd 0006256
	9.41707 8.55688 5.22108 90 107.5698 90 C2/c
	atom x y z Uiso
	Na 0 .3012 .25 .0065
	Al 0 .9069 .25 .0020
	Si .29093 .09341 .2279 .00162
	O1 .10916 .07604 .12830 .00357
	O2 .36083 .26330 .29353 .00373
	O3 .35377 .00767 .00619 .00350
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	Jadeite
	Knight K S, Price G D
	The Canadian Mineralogist 46 (2008) 1593-1622
	Powder neutron-diffraction studies of clinopyroxenes. I. The crystal structure
	and thermoelastic properties of jadeite between 1.5 and 270 K
	Locality: Hweka and Mamon mining district, Burma
	Note: T = 138.8 K
	_database_code_amcsd 0006257
	9.41759 8.55760 5.22127 90 107.5703 90 C2/c
	atom x y z Uiso
	Na 0 .3011 .25 .0071
	Al 0 .9069 .25 .0024
	Si .29098 .09341 .2280 .00185
	O1 .10919 .07602 .12832 .00378
	O2 .36077 .26333 .29332 .00399
	O3 .35385 .00759 .00626 .00477
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	Jadeite
	Knight K S, Price G D
	The Canadian Mineralogist 46 (2008) 1593-1622
	Powder neutron-diffraction studies of clinopyroxenes. I. The crystal structure
	and thermoelastic properties of jadeite between 1.5 and 270 K
	Locality: Hweka and Mamon mining district, Burma
	Note: T = 149.6 K
	_database_code_amcsd 0006258
	9.41797 8.55811 5.22140 90 107.5705 90 C2/c
	atom x y z Uiso
	Na 0 .3010 .25 .0073
	Al 0 .9070 .25 .0023
	Si .29099 .09346 .2280 .00177
	O1 .10923 .07600 .12836 .00374
	O2 .36080 .26332 .29341 .00397
	O3 .35380 .00760 .00623 .00369
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	Jadeite
	Knight K S, Price G D
	The Canadian Mineralogist 46 (2008) 1593-1622
	Powder neutron-diffraction studies of clinopyroxenes. I. The crystal structure
	and thermoelastic properties of jadeite between 1.5 and 270 K
	Locality: Hweka and Mamon mining district, Burma
	Note: T = 156.8 K
	_database_code_amcsd 0006259
	9.41823 8.55846 5.22150 90 107.5706 90 C2/c
	atom x y z Uiso
	Na 0 .3012 .25 .0073
	Al 0 .9070 .25 .0024
	Si .29096 .09347 .2280 .00181
	O1 .10920 .07605 .12834 .00380
	O2 .36080 .26328 .29337 .00407
	O3 .35378 .00760 .00618 .00381
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	Jadeite
	Knight K S, Price G D
	The Canadian Mineralogist 46 (2008) 1593-1622
	Powder neutron-diffraction studies of clinopyroxenes. I. The crystal structure
	and thermoelastic properties of jadeite between 1.5 and 270 K
	Locality: Hweka and Mamon mining district, Burma
	Note: T = 165.9 K
	_database_code_amcsd 0006260
	9.41857 8.55892 5.22162 90 107.5707 90 C2/c
	atom x y z Uiso
	Na 0 .3011 .25 .0076
	Al 0 .9068 .25 .0024
	Si .29100 .09349 .2279 .00191
	O1 .10922 .07602 .12840 .00371
	O2 .36077 .26332 .29337 .00407
	O3 .35384 .00755 .00617 .00378
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	Jadeite
	Knight K S, Price G D
	The Canadian Mineralogist 46 (2008) 1593-1622
	Powder neutron-diffraction studies of clinopyroxenes. I. The crystal structure
	and thermoelastic properties of jadeite between 1.5 and 270 K
	Locality: Hweka and Mamon mining district, Burma
	Note: T = 175.1 K
	_database_code_amcsd 0006261
	9.41893 8.55941 5.22176 90 107.5708 90 C2/c
	atom x y z Uiso
	Na 0 .3011 .25 .0078
	Al 0 .9068 .25 .0025
	Si .29094 .09343 .2279 .00191
	O1 .10923 .07599 .12830 .00399
	O2 .36082 .26324 .29324 .00424
	O3 .35379 .00759 .00619 .00393
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	Jadeite
	Knight K S, Price G D
	The Canadian Mineralogist 46 (2008) 1593-1622
	Powder neutron-diffraction studies of clinopyroxenes. I. The crystal structure
	and thermoelastic properties of jadeite between 1.5 and 270 K
	Locality: Hweka and Mamon mining district, Burma
	Note: T = 184.5 K
	_database_code_amcsd 0006262
	9.41931 8.55991 5.22190 90 107.5708 90 C2/c
	atom x y z Uiso
	Na 0 .3010 .25 .0082
	Al 0 .9067 .25 .0027
	Si .29099 .09339 .2279 .00200
	O1 .10917 .07598 .12826 .00400
	O2 .36083 .26323 .29324 .00435
	O3 .35375 .00760 .00622 .00406
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	Jadeite
	Knight K S, Price G D
	The Canadian Mineralogist 46 (2008) 1593-1622
	Powder neutron-diffraction studies of clinopyroxenes. I. The crystal structure
	and thermoelastic properties of jadeite between 1.5 and 270 K
	Locality: Hweka and Mamon mining district, Burma
	Note: T = 194.3 K
	_database_code_amcsd 0006263
	9.41972 8.56046 5.22206 90 107.5709 90 C2/c
	atom x y z Uiso
	Na 0 .3010 .25 .0083
	Al 0 .9069 .25 .0027
	Si .29099 .09335 .2279 .00202
	O1 .10925 .07592 .12829 .00400
	O2 .36078 .26321 .29318 .00435
	O3 .35374 .00756 .00624 .00409
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	Jadeite
	Knight K S, Price G D
	The Canadian Mineralogist 46 (2008) 1593-1622
	Powder neutron-diffraction studies of clinopyroxenes. I. The crystal structure
	and thermoelastic properties of jadeite between 1.5 and 270 K
	Locality: Hweka and Mamon mining district, Burma
	Note: T = 203.6 K
	_database_code_amcsd 0006264
	9.42012 8.56099 5.22221 90 107.5709 90 C2/c
	atom x y z Uiso
	Na 0 .3012 .25 .0087
	Al 0 .9067 .25 .0028
	Si .29093 .09338 .2279 .00206
	O1 .10913 .07591 .12817 .00414
	O2 .36077 .26320 .29312 .00463
	O3 .35379 .00750 .00621 .00428
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	Jadeite
	Knight K S, Price G D
	The Canadian Mineralogist 46 (2008) 1593-1622
	Powder neutron-diffraction studies of clinopyroxenes. I. The crystal structure
	and thermoelastic properties of jadeite between 1.5 and 270 K
	Locality: Hweka and Mamon mining district, Burma
	Note: T = 213.2 K
	_database_code_amcsd 0006265
	9.42054 8.56154 5.22237 90 107.5710 90 C2/c
	atom x y z Uiso
	Na 0 .3011 .25 .0089
	Al 0 .9067 .25 .0028
	Si .29099 .09334 .2278 .00210
	O1 .10918 .07595 .12820 .00419
	O2 .36077 .26323 .29310 .00462
	O3 .35381 .00753 .00619 .00427
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Jadeite
	Knight K S, Price G D
	The Canadian Mineralogist 46 (2008) 1593-1622
	Powder neutron-diffraction studies of clinopyroxenes. I. The crystal structure
	and thermoelastic properties of jadeite between 1.5 and 270 K
	Locality: Hweka and Mamon mining district, Burma
	Note: T = 222.4 K
	_database_code_amcsd 0006266
	9.42095 8.56209 5.22253 90 107.5710 90 C2/c
	atom x y z Uiso
	Na 0 .3011 .25 .0094
	Al 0 .9066 .25 .0030
	Si .29092 .09334 .2278 .00221
	O1 .10917 .07594 .12831 .00425
	O2 .36077 .26321 .29311 .00425
	O3 .35375 .00753 .00611 .00450
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Jadeite
	Knight K S, Price G D
	The Canadian Mineralogist 46 (2008) 1593-1622
	Powder neutron-diffraction studies of clinopyroxenes. I. The crystal structure
	and thermoelastic properties of jadeite between 1.5 and 270 K
	Locality: Hweka and Mamon mining district, Burma
	Note: T = 231.6 K
	_database_code_amcsd 0006267
	9.42137 8.56264 5.22269 90 107.5710 90 C2/c
	atom x y z Uiso
	Na 0 .3012 .25 .0095
	Al 0 .9067 .25 .0030
	Si .29097 .09333 .2278 .00216
	O1 .10914 .07584 .12815 .00430
	O2 .36079 .26313 .29306 .00500
	O3 .35370 .00750 .00604 .00463
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	Jadeite
	Knight K S, Price G D
	The Canadian Mineralogist 46 (2008) 1593-1622
	Powder neutron-diffraction studies of clinopyroxenes. I. The crystal structure
	and thermoelastic properties of jadeite between 1.5 and 270 K
	Locality: Hweka and Mamon mining district, Burma
	Note: T = 240.6 K
	_database_code_amcsd 0006268
	9.42179 8.56318 5.22285 90 107.5710 90 C2/c
	atom x y z Uiso
	Na 0 .3011 .25 .0099
	Al 0 .9066 .25 .0032
	Si .29086 .09329 .2278 .00225
	O1 .10918 .07600 .12821 .00448
	O2 .36076 .26317 .29302 .00509
	O3 .35375 .00752 .00612 .00473
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	Jadeite
	Knight K S, Price G D
	The Canadian Mineralogist 46 (2008) 1593-1622
	Powder neutron-diffraction studies of clinopyroxenes. I. The crystal structure
	and thermoelastic properties of jadeite between 1.5 and 270 K
	Locality: Hweka and Mamon mining district, Burma
	Note: T = 249.8 K
	_database_code_amcsd 0006269
	9.42222 8.56375 5.22302 90 107.5710 90 C2/c
	atom x y z Uiso
	Na 0 .3011 .25 .0101
	Al 0 .9066 .25 .0032
	Si .29088 .09331 .2278 .00229
	O1 .10916 .07590 .12815 .00454
	O2 .36079 .26311 .29295 .00514
	O3 .35368 .00745 .00608 .00483
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Jadeite
	Knight K S, Price G D
	The Canadian Mineralogist 46 (2008) 1593-1622
	Powder neutron-diffraction studies of clinopyroxenes. I. The crystal structure
	and thermoelastic properties of jadeite between 1.5 and 270 K
	Locality: Hweka and Mamon mining district, Burma
	Note: T = 259.1 K
	_database_code_amcsd 0006270
	9.42266 8.56432 5.22320 90 107.5710 90 C2/c
	atom x y z Uiso
	Na 0 .3011 .25 .0105
	Al 0 .9064 .25 .0034
	Si .29090 .09329 .2276 .00236
	O1 .10917 .07588 .12812 .00458
	O2 .36077 .26311 .29296 .00534
	O3 .35368 .00755 .00611 .00491
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	Jadeite
	Knight K S, Price G D
	The Canadian Mineralogist 46 (2008) 1593-1622
	Powder neutron-diffraction studies of clinopyroxenes. I. The crystal structure
	and thermoelastic properties of jadeite between 1.5 and 270 K
	Locality: Hweka and Mamon mining district, Burma
	Note: T = 268.3 K
	_database_code_amcsd 0006271
	9.42310 8.56490 5.22337 90 107.5710 90 C2/c
	atom x y z Uiso
	Na 0 .3012 .25 .0106
	Al 0 .9065 .25 .0034
	Si .29090 .09329 .2276 .00249
	O1 .10914 .07591 .12808 .00478
	O2 .36073 .26312 .29288 .00548
	O3 .35367 .00747 .00607 .00499
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Chalcopyrite
	Knight K S, Marshall W G, Zochowski S W
	The Canadian Mineralogist 49 (2011) 1015-1034
	The low-temperature and high-pressure thermoelastic and
	structural properties of chalcopyrite, CuFeS2
	T = 300 K
	Locality: Palabora mine, South Africa
	_database_code_amcsd 0018622
	5.2900 5.2900 10.4217 90 90 90 I-42d
	atom x y z Uiso
	Cu 0 0 0 .0161
	Fe 0 0 .5 .0097
	S .2604 .25 .125 .0084
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	Chalcopyrite
	Knight K S, Marshall W G, Zochowski S W
	The Canadian Mineralogist 49 (2011) 1015-1034
	The low-temperature and high-pressure thermoelastic and
	structural properties of chalcopyrite, CuFeS2
	T = 4.2 K
	Locality: Palabora mine, South Africa
	_database_code_amcsd 0018623
	5.28563 5.28563 10.41917 90 90 90 I-42d
	atom x y z Uiso
	Cu 0 0 0 .0048
	Fe 0 0 .5 .0049
	S .2529 .25 .125 .0053
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	Perovskite
	Knight K S
	The Canadian Mineralogist 47 (2009) 381-400
	Parameterization of the crystal structures of centerosymmetric
	zone-boundary-tilted perovskites: An analysis in terms of symmetry-adapted
	basis-vectors of the cubic aristotype phase
	_database_code_amcsd 0006288
	5.38095 5.43710 7.64208 90 90 90 Pbnm
	atom x y z Uiso
	Ca .0061 .5354 .25 .0101
	Ti 0 0 0 .0085
	O1 -.0719 -.0162 .25 .0092
	O2 .2104 .2891 .0372 .0093
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Linarite
	Schofield P F, Wilson C C, Knight K S, Kirk C A
	The Canadian Mineralogist 47 (2009) 649-662
	Proton location and hydrogen bonding in the hydrous lead copper
	sulfates linarite, PbCu(SO4)(OH)2, and caledonite, Pb5Cu2(SO4)3CO3(OH)6
	Locality: Leadhills, Lanarkshire, Scotland
	_database_code_amcsd 0006293
	9.682 5.646 4.683 90 102.66 90 P2_1/m
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Pb .3420 .25 .0123 .014 .0220 .021 0 .007 0
	Cu 0 0 0 .014 .0092 .009 .0016 .004 -.0005
	S .6687 .25 .556 .007 .008 .011 0 .001 0
	O1 .5254 .25 .590 .012 .022 .024 0 .006 0
	O2 .6624 .25 .234 .024 .038 .013 0 .006 0
	O3 .2527 .5372 .3107 .015 .0145 .023 -.0004 .004 -.0024
	O4 .9662 .25 .2526 .012 .0107 .009 0 .003 0
	O5 .0959 .25 .8265 .010 .0118 .010 0 .003 0
	H5 .0555 .25 .605 .021 .024 .018 0 .004 0
	H4 .8682 .25 .256 .021 .029 .036 0 .014 0
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	Caledonite
	Schofield P F, Wilson C C, Knight K S, Kirk C A
	The Canadian Mineralogist 47 (2009) 649-662
	Proton location and hydrogen bonding in the hydrous lead copper
	sulfates linarite, PbCu(SO4)(OH)2, and caledonite, Pb5Cu2(SO4)3CO3(OH)6
	Locality: Leadhills, Lanarkshire, Scotland
	_database_code_amcsd 0006294
	20.085 7.141 6.563 90 90 90 Pmn2_1
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Pb1 .5 .0933 .5 .009 .016 .012 0 0 -.001
	Pb2 .3995 .4147 .0401 .0113 .0107 .0104 .0023 -.001 -.001
	Pb3 .3387 .8873 .0698 .0114 .0071 .012 -.0007 .001 .002
	Cu .2510 .4920 .3007 .0081 .007 .0038 -.0008 .0014 -.0010
	S1 .3370 .1236 .551 .006 .008 .007 .002 .001 -.001
	S2 .5 .560 .542 .010 .004 .007 0 0 -.004
	O1 .1634 .3702 .3360 .008 .013 .008 -.006 .003 .001
	O2 .3386 .6065 .2651 .007 .006 .007 -.001 .001 -.001
	O3 .2732 .3618 .0467 .006 .008 .002 -.0012 -.001 .001
	O4 .4409 .6796 .5381 .015 .019 .019 .007 -.002 -.007
	O5 .5 .435 .7230 .033 .019 .010 0 0 .008
	O6 .5 .432 .3589 .012 .014 .016 0 0 -.006
	O7 .2871 .2732 .5665 .018 .013 .015 .007 .003 -.001
	O8 .3037 .9475 .5028 .027 .014 .050 -.009 .0100 -.010
	O9 .3752 .1093 .7361 .025 .039 .016 .010 -.003 .007
	O10 .3833 .1691 .3791 .015 .027 .017 .003 .005 .004
	O11 .4459 .7555 .0529 .006 .014 .026 -.002 -.004 -.001
	O12 .5 .013 .143 .032 .015 .026 0 0 -.008
	C .5 .8428 .0815 .007 .012 .007 0 0 -.002
	H1 .1365 0341 .222 .051 .041 .043 -.012 -.031 .002
	H2 .3666 .630 .385 .038 .036 .025 -.004 .000 -.009
	H3 .2512 .245 .038 .039 .016 .037 -.004 -.007 .001
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	FeMnSiO4
	Redfern S A T, Henderson C M B, Knight K S, Wood B J
	European Journal of Mineralogy 9 (1997) 287-300
	High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4
	olivines: an in situ neutron diffraction study
	Sample: T = 20 C
	_database_code_amcsd 0006655
	4.86145 10.5839 6.16980 90 90 90 Pbnm
	atom x y z occ Biso
	FeM1 0 0 0 .674 .37
	MnM1 0 0 0 .326 .37
	MnM2 .970 .2821 .25 .674 .37
	FeM2 .970 .2821 .25 .326 .37
	Si .4272 .0963 .25 .22
	O1 .7631 .0923 .25 .55
	O2 .2135 .4540 .25 .52
	O3 .2872 .1638 .0385 .50
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	FeMnSiO4
	Redfern S A T, Henderson C M B, Knight K S, Wood B J
	European Journal of Mineralogy 9 (1997) 287-300
	High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4
	olivines: an in situ neutron diffraction study
	Sample: T = 100 C
	_database_code_amcsd 0006656
	4.86394 10.5915 6.17510 90 90 90 Pbnm
	atom x y z occ Biso
	FeM1 0 0 0 .673 .51
	MnM1 0 0 0 .327 .51
	MnM2 .972 .2850 .25 .673 .51
	FeM2 .972 .2850 .25 .327 .51
	Si .4275 .0965 .25 .38
	O1 .7622 .0924 .25 .73
	O2 .2132 .4538 .25 .72
	O3 .2875 .1641 .0389 .71
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure

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