Sillimanite
	Peterson R C, McMullan R K
	American Mineralogist 71 (1986) 742-745
	Neutron diffraction studies of sillimanite
	_database_code_amcsd 0001016
	7.479 7.670 5.769 90 90 90 Pbnm
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Al1 0 0 0 .987 .0031 .0047 .0034 .0001 -.0003 .0001
	Fe1 0 0 0 .013 .0031 .0047 .0034 .0001 -.0003 .0001
	Al2 .1418 .3449 .25 .993 .0039 .0058 .0043 -.0002 0 0
	Fe2 .1418 .3449 .25 .007 .0039 .0058 .0043 -.0002 0 0
	Si .1535 .3402 .75 .0030 .0049 .0037 -.0004 0 0
	OA .3600 .4088 .75 .0035 .0072 .0058 -.0016 0 0
	OB .3563 .4340 .25 .0038 .0072 .0053 -.0013 0 0
	OC .4765 .0017 .75 .0090 .0100 .0111 -.0050 0 0
	OD .1256 .2232 .5144 .0061 .0056 .0045 -.0015 -.0002 -.0002
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	Spinel
	Peterson R C, Lager G A, Hitterman R L
	American Mineralogist 76 (1991) 1455-1458
	A time-of-flight neutron powder diffraction study of MgAl2O4 at temperatures
	up to 1273 K
	sample W, T = 293 K
	_database_code_amcsd 0001398
	8.08435 8.08435 8.08435 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ Biso
	Mg .125 .125 .125 .68 .24
	Al .125 .125 .125 .32 .24
	Al .5 .5 .5 .84 .70
	Mg .5 .5 .5 .16 .70
	O .26148 .26148 .26148 .53
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	Spinel
	Peterson R C, Lager G A, Hitterman R L
	American Mineralogist 76 (1991) 1455-1458
	A time-of-flight neutron powder diffraction study of MgAl2O4 at temperatures
	up to 1273 K
	sample UC, T = 293 K
	_database_code_amcsd 0001399
	8.07975 8.07975 8.07975 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ Biso
	Mg .125 .125 .125 .88 .28
	Al .125 .125 .125 .12 .28
	Al .5 .5 .5 .94 .51
	Mg .5 .5 .5 .06 .51
	O .26264 .26264 .26264 .33
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	Spinel
	Peterson R C, Lager G A, Hitterman R L
	American Mineralogist 76 (1991) 1455-1458
	A time-of-flight neutron powder diffraction study of MgAl2O4 at temperatures
	up to 1273 K
	sample W, T = 873 K
	_database_code_amcsd 0001400
	8.12501 8.12501 8.12501 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ Biso
	Mg .125 .125 .125 .77 .85
	Al .125 .125 .125 .23 .85
	Al .5 .5 .5 .89 1.09
	Mg .5 .5 .5 .11 1.09
	O .26210 .26210 .26210 .98
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	Spinel
	Peterson R C, Lager G A, Hitterman R L
	American Mineralogist 76 (1991) 1455-1458
	A time-of-flight neutron powder diffraction study of MgAl2O4 at temperatures
	up to 1273 K
	sample UC, T = 923 K
	_database_code_amcsd 0001401
	8.12508 8.12508 8.12508 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ Biso
	Mg .125 .125 .125 .80 .84
	Al .125 .125 .125 .20 .84
	Al .5 .5 .5 .90 1.07
	Mg .5 .5 .5 .10 1.07
	O .26244 .26244 .26244 .94
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	Spinel
	Peterson R C, Lager G A, Hitterman R L
	American Mineralogist 76 (1991) 1455-1458
	A time-of-flight neutron powder diffraction study of MgAl2O4 at temperatures
	up to 1273 K
	sample W, T = 973 K
	_database_code_amcsd 0001402
	8.13219 8.13219 8.13219 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ Biso
	Mg .125 .125 .125 .75 .97
	Al .125 .125 .125 .25 .97
	Al .5 .5 .5 .88 1.21
	Mg .5 .5 .5 .12 1.21
	O .26186 .26186 .26186 1.09
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	Spinel
	Peterson R C, Lager G A, Hitterman R L
	American Mineralogist 76 (1991) 1455-1458
	A time-of-flight neutron powder diffraction study of MgAl2O4 at temperatures
	up to 1273 K
	sample UC, T = 973 K
	_database_code_amcsd 0001403
	8.12872 8.12872 8.12872 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ Biso
	Mg .125 .125 .125 .75 .84
	Al .125 .125 .125 .25 .84
	Al .5 .5 .5 .88 1.16
	Mg .5 .5 .5 .12 1.16
	O .26225 .26225 .26225 1.06
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	Spinel
	Peterson R C, Lager G A, Hitterman R L
	American Mineralogist 76 (1991) 1455-1458
	A time-of-flight neutron powder diffraction study of MgAl2O4 at temperatures
	up to 1273 K
	sample UC, T = 1023 K
	_database_code_amcsd 0001404
	8.13235 8.13235 8.13235 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ Biso
	Mg .125 .125 .125 .73 .90
	Al .125 .125 .125 .27 .90
	Al .5 .5 .5 .87 1.25
	Mg .5 .5 .5 .13 1.25
	O .26204 .26204 .26204 1.36
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	Spinel
	Peterson R C, Lager G A, Hitterman R L
	American Mineralogist 76 (1991) 1455-1458
	A time-of-flight neutron powder diffraction study of MgAl2O4 at temperatures
	up to 1273 K
	sample W, T = 1073 K
	_database_code_amcsd 0001405
	8.13927 8.13927 8.13927 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ Biso
	Mg .125 .125 .125 .73 1.13
	Al .125 .125 .125 .27 1.13
	Al .5 .5 .5 .87 1.37
	Mg .5 .5 .5 .13 1.37
	O .26174 .26174 .26174 1.16
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	Spinel
	Peterson R C, Lager G A, Hitterman R L
	American Mineralogist 76 (1991) 1455-1458
	A time-of-flight neutron powder diffraction study of MgAl2O4 at temperatures
	up to 1273 K
	sample UC, T = 1073 K
	_database_code_amcsd 0001406
	8.13613 8.13613 8.13613 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ Biso
	Mg .125 .125 .125 .73 0.92
	Al .125 .125 .125 .27 0.92
	Al .5 .5 .5 .87 1.30
	Mg .5 .5 .5 .13 1.30
	O .26190 .26190 .26190 1.14
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	Spinel
	Peterson R C, Lager G A, Hitterman R L
	American Mineralogist 76 (1991) 1455-1458
	A time-of-flight neutron powder diffraction study of MgAl2O4 at temperatures
	up to 1273 K
	sample UC, T = 1123 K
	_database_code_amcsd 0001407
	8.13991 8.13991 8.13991 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ Biso
	Mg .125 .125 .125 .71 1.04
	Al .125 .125 .125 .29 1.04
	Al .5 .5 .5 .85 1.36
	Mg .5 .5 .5 .15 1.36
	O .26180 .26180 .26180 1.21
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	Spinel
	Peterson R C, Lager G A, Hitterman R L
	American Mineralogist 76 (1991) 1455-1458
	A time-of-flight neutron powder diffraction study of MgAl2O4 at temperatures
	up to 1273 K
	sample W, T = 1173 K
	_database_code_amcsd 0001408
	8.14616 8.14616 8.14616 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ Biso
	Mg .125 .125 .125 .67 1.19
	Al .125 .125 .125 .33 1.19
	Al .5 .5 .5 .84 1.47
	Mg .5 .5 .5 .16 1.47
	O .26141 .26141 .26141 1.28
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	Spinel
	Peterson R C, Lager G A, Hitterman R L
	American Mineralogist 76 (1991) 1455-1458
	A time-of-flight neutron powder diffraction study of MgAl2O4 at temperatures
	up to 1273 K
	sample UC, T = 1173 K
	_database_code_amcsd 0001409
	8.14369 8.14369 8.14369 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ Biso
	Mg .125 .125 .125 .69 1.06
	Al .125 .125 .125 .31 1.06
	Al .5 .5 .5 .85 1.45
	Mg .5 .5 .5 .15 1.45
	O .26164 .26164 .26164 1.25
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	Spinel
	Peterson R C, Lager G A, Hitterman R L
	American Mineralogist 76 (1991) 1455-1458
	A time-of-flight neutron powder diffraction study of MgAl2O4 at temperatures
	up to 1273 K
	sample W, T = 1273 K
	_database_code_amcsd 0001410
	8.15409 8.15409 8.15409 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ Biso
	Mg .125 .125 .125 .64 1.25
	Al .125 .125 .125 .36 1.25
	Al .5 .5 .5 .82 1.60
	Mg .5 .5 .5 .18 1.60
	O .26114 .26114 .26114 1.41
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	Spinel
	Peterson R C, Lager G A, Hitterman R L
	American Mineralogist 76 (1991) 1455-1458
	A time-of-flight neutron powder diffraction study of MgAl2O4 at temperatures
	up to 1273 K
	sample UC, T = 1273 K
	_database_code_amcsd 0001411
	8.15090 8.15090 8.15090 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ Biso
	Mg .125 .125 .125 .66 1.13
	Al .125 .125 .125 .34 1.13
	Al .5 .5 .5 .83 1.56
	Mg .5 .5 .5 .17 1.56
	O .26144 .26144 .26144 1.41
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	Spinel
	Roelofsen J N, Peterson R C, Raudsepp M
	American Mineralogist 77 (1992) 522-528
	Structural variation in nickel aluminate spinel (NiAl2O4)
	sample quench temperature = 1500 C, initially annealed at 800 C
	_database_code_amcsd 0001470
	8.05154 8.05154 8.05154 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ Biso
	Ni1 .125 .125 .125 .194 0.31
	Al1 .125 .125 .125 .806 0.31
	Al2 .5 .5 .5 .597 0.40
	Ni2 .5 .5 .5 .403 0.40
	O .2564 .2564 .2564 0.70
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	Spinel
	Roelofsen J N, Peterson R C, Raudsepp M
	American Mineralogist 77 (1992) 522-528
	Structural variation in nickel aluminate spinel (NiAl2O4)
	sample quench temperature = 1400 C, initially annealed at 800 C
	_database_code_amcsd 0001471
	8.05221 8.05221 8.05221 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ Biso
	Ni1 .125 .125 .125 .203 0.34
	Al1 .125 .125 .125 .797 0.34
	Al2 .5 .5 .5 .601 0.38
	Ni2 .5 .5 .5 .398 0.38
	O .2563 .2563 .2563 0.76
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	Spinel
	Roelofsen J N, Peterson R C, Raudsepp M
	American Mineralogist 77 (1992) 522-528
	Structural variation in nickel aluminate spinel (NiAl2O4)
	sample quench temperature = 1200 C, initially annealed at 800 C
	_database_code_amcsd 0001472
	8.05146 8.05146 8.05146 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ Biso
	Ni1 .125 .125 .125 .196 0.36
	Al1 .125 .125 .125 .804 0.36
	Al2 .5 .5 .5 .598 0.39
	Ni2 .5 .5 .5 .402 0.39
	O .2558 .2558 .2558 0.75
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	Spinel
	Roelofsen J N, Peterson R C, Raudsepp M
	American Mineralogist 77 (1992) 522-528
	Structural variation in nickel aluminate spinel (NiAl2O4)
	sample quench temperature = 1100 C, initially annealed at 800 C
	_database_code_amcsd 0001473
	8.05038 8.05038 8.05038 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ Biso
	Ni1 .125 .125 .125 .179 0.33
	Al1 .125 .125 .125 .821 0.33
	Al2 .5 .5 .5 .590 0.39
	Ni2 .5 .5 .5 .410 0.39
	O .2562 .2562 .2562 0.71
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	Spinel
	Roelofsen J N, Peterson R C, Raudsepp M
	American Mineralogist 77 (1992) 522-528
	Structural variation in nickel aluminate spinel (NiAl2O4)
	sample quench temperature = 1000 C, initially annealed at 800 C
	_database_code_amcsd 0001474
	8.04899 8.04899 8.04899 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ Biso
	Ni1 .125 .125 .125 .160 0.35
	Al1 .125 .125 .125 .840 0.35
	Al2 .5 .5 .5 .580 0.40
	Ni2 .5 .5 .5 .420 0.40
	O .2555 .2555 .2555 0.71
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	Spinel
	Roelofsen J N, Peterson R C, Raudsepp M
	American Mineralogist 77 (1992) 522-528
	Structural variation in nickel aluminate spinel (NiAl2O4)
	sample quench temperature = 900 C, initially annealed at 800 C
	_database_code_amcsd 0001475
	8.04741 8.04741 8.04741 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ Biso
	Ni1 .125 .125 .125 .141 0.32
	Al1 .125 .125 .125 .859 0.32
	Al2 .5 .5 .5 .571 0.39
	Ni2 .5 .5 .5 .430 0.39
	O .2552 .2552 .2552 0.72
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	Spinel
	Roelofsen J N, Peterson R C, Raudsepp M
	American Mineralogist 77 (1992) 522-528
	Structural variation in nickel aluminate spinel (NiAl2O4)
	sample quench temperature = 800 C, initially annealed at 800 C
	_database_code_amcsd 0001476
	8.04622 8.04622 8.04622 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ Biso
	Ni1 .125 .125 .125 .136 0.36
	Al1 .125 .125 .125 .864 0.36
	Al2 .5 .5 .5 .568 0.42
	Ni2 .5 .5 .5 .432 0.42
	O .2552 .2552 .2552 0.70
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	Spinel
	Roelofsen J N, Peterson R C, Raudsepp M
	American Mineralogist 77 (1992) 522-528
	Structural variation in nickel aluminate spinel (NiAl2O4)
	sample quench temperature = 1500 C, initially annealed at 1300 C
	_database_code_amcsd 0001477
	8.05263 8.05263 8.05263 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ Biso
	Ni1 .125 .125 .125 .207 0.40
	Al1 .125 .125 .125 .793 0.40
	Al2 .5 .5 .5 .604 0.43
	Ni2 .5 .5 .5 .396 0.43
	O .2565 .2565 .2565 0.72
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	Spinel
	Roelofsen J N, Peterson R C, Raudsepp M
	American Mineralogist 77 (1992) 522-528
	Structural variation in nickel aluminate spinel (NiAl2O4)
	sample quench temperature = 1300 C, initially annealed at 1300 C
	_database_code_amcsd 0001478
	8.05199 8.05199 8.05199 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ Biso
	Ni1 .125 .125 .125 .198 0.36
	Al1 .125 .125 .125 .802 0.36
	Al2 .5 .5 .5 .599 0.36
	Ni2 .5 .5 .5 .401 0.36
	O .2557 .2557 .2557 0.73
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	Spinel
	Roelofsen J N, Peterson R C, Raudsepp M
	American Mineralogist 77 (1992) 522-528
	Structural variation in nickel aluminate spinel (NiAl2O4)
	sample quench temperature = 1200 C, initially annealed at 1300 C
	_database_code_amcsd 0001479
	8.05145 8.05145 8.05145 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ Biso
	Ni1 .125 .125 .125 .201 0.36
	Al1 .125 .125 .125 .799 0.36
	Al2 .5 .5 .5 .600 0.38
	Ni2 .5 .5 .5 .400 0.38
	O .2562 .2562 .2562 0.71
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	Spinel
	Roelofsen J N, Peterson R C, Raudsepp M
	American Mineralogist 77 (1992) 522-528
	Structural variation in nickel aluminate spinel (NiAl2O4)
	sample quench temperature = 1100 C, initially annealed at 1300 C
	_database_code_amcsd 0001480
	8.05059 8.05059 8.05059 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ Biso
	Ni1 .125 .125 .125 .186 0.39
	Al1 .125 .125 .125 .814 0.39
	Al2 .5 .5 .5 .593 0.40
	Ni2 .5 .5 .5 .407 0.40
	O .2562 .2562 .2562 0.71
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	Spinel
	Roelofsen J N, Peterson R C, Raudsepp M
	American Mineralogist 77 (1992) 522-528
	Structural variation in nickel aluminate spinel (NiAl2O4)
	sample quench temperature = 1000 C, initially annealed at 1300 C
	_database_code_amcsd 0001481
	8.04897 8.04897 8.04897 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ Biso
	Ni1 .125 .125 .125 .167 0.36
	Al1 .125 .125 .125 .833 0.36
	Al2 .5 .5 .5 .584 0.37
	Ni2 .5 .5 .5 .417 0.37
	O .2557 .2557 .2557 0.75
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	Spinel
	Roelofsen J N, Peterson R C, Raudsepp M
	American Mineralogist 77 (1992) 522-528
	Structural variation in nickel aluminate spinel (NiAl2O4)
	sample quench temperature = 900 C, initially annealed at 1300 C
	_database_code_amcsd 0001482
	8.04751 8.04751 8.04751 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ Biso
	Ni1 .125 .125 .125 .145 0.33
	Al1 .125 .125 .125 .855 0.33
	Al2 .5 .5 .5 .572 0.39
	Ni2 .5 .5 .5 .428 0.39
	O .2555 .2555 .2555 0.74
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	Qandilite
	Millard R L, Peterson R C, Hunter B K
	American Mineralogist 80 (1995) 885-896
	Study of the cubic to tetragonal transition in Mg2TiO4 and Zn2TiO4 spinels by
	17O MAS NMR and Rietveld refinement of X-ray diffraction data
	Sample: RLM445, 1405 C, Mg2TiO4
	_database_code_amcsd 0001746
	8.44183 8.44183 8.44183 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ Biso
	Ti .125 .125 .125 .036 .53
	Mg .125 .125 .125 .964 .53
	Ti .5 .5 .5 .482 .41
	Mg .5 .5 .5 .518 .41
	O .2616 .2616 .2616 .62
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	Qandilite
	Millard R L, Peterson R C, Hunter B K
	American Mineralogist 80 (1995) 885-896
	Study of the cubic to tetragonal transition in Mg2TiO4 and Zn2TiO4 spinels by
	17O MAS NMR and Rietveld refinement of X-ray diffraction data
	Sample: RLM509, 1210 C, Mg2TiO4
	_database_code_amcsd 0001747
	8.46948 8.46948 8.46948 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ Biso
	Ti .125 .125 .125 .002 .21
	Mg .125 .125 .125 .998 .21
	Ti .5 .5 .5 .499 .31
	Mg .5 .5 .5 .501 .31
	O .2606 .2606 .2606 .92
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Spinel
	Millard R L, Peterson R C, Hunter B K
	American Mineralogist 80 (1995) 885-896
	Study of the cubic to tetragonal transition in Mg2TiO4 and Zn2TiO4 spinels by
	17O MAS NMR and Rietveld refinement of X-ray diffraction data
	Sample: RLM526, 555 C, Zn2TiO4
	_database_code_amcsd 0001748
	8.47056 8.47056 8.47056 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ Biso
	Zn .125 .125 .125 .38
	Ti .5 .5 .5 .5 .47
	Zn .5 .5 .5 .5 .47
	O .2599 .2599 .2599 .72
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Spinel
	Millard R L, Peterson R C, Hunter B K
	American Mineralogist 80 (1995) 885-896
	Study of the cubic to tetragonal transition in Mg2TiO4 and Zn2TiO4 spinels by
	17O MAS NMR and Rietveld refinement of X-ray diffraction data
	Sample: RLM510, 490 C, Zn2TiO4
	_database_code_amcsd 0001749
	8.4608 8.4608 8.4608 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ Biso
	Zn .125 .125 .125 .19
	Ti .5 .5 .5 .5 .29
	Zn .5 .5 .5 .5 .29
	O .2604 .2604 .2604 .04
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Qandilite
	Millard R L, Peterson R C, Hunter B K
	American Mineralogist 80 (1995) 885-896
	Study of the cubic to tetragonal transition in Mg2TiO4 and Zn2TiO4 spinels by
	17O MAS NMR and Rietveld refinement of X-ray diffraction data
	Sample: RLM446, Mg2TiO4
	_database_code_amcsd 0001750
	5.97705 5.97705 8.4161 90 90 90 P4_122
	atom x y z occ Biso
	Mg .2518 .2518 .375 .34
	Ti1 0 .2502 0 .074 .32
	Mg1 0 .2502 0 .926 .32
	Ti2 .5 .2391 0 .926 .34
	Mg2 .5 .2391 0 .074 .34
	O1 -.0264 .7368 .2526 .29
	O2 .5188 .2610 .2329 .31
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	Qandilite
	Millard R L, Peterson R C, Hunter B K
	American Mineralogist 80 (1995) 885-896
	Study of the cubic to tetragonal transition in Mg2TiO4 and Zn2TiO4 spinels by
	17O MAS NMR and Rietveld refinement of X-ray diffraction data
	Sample: RLM510, Mg2TiO4
	_database_code_amcsd 0001751
	6.00689 6.00689 8.41547 90 90 90 P4_122
	atom x y z occ Biso
	Mg .2529 .2529 .375 .19
	Ti1 0 .2385 0 .087 .29
	Mg1 0 .2385 0 .913 .29
	Ti2 .5 .2470 0 .913 .29
	Mg2 .5 .2470 0 .087 .29
	O1 -.0252 .7305 .2500 .04
	O2 .5131 .2638 .2307 .04
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	Alpersite
	Peterson R C, Hammarstrom J M, Seal II R R
	American Mineralogist 91 (2006) 261-269
	Alpersite (Mg,Cu)SO4*7H2O, a new mineral of the melanterite group, and cuprian
	pentahydrite: Their occurrence within mine waste
	Locality: Big Mike mine, Nevada, USA
	_database_code_amcsd 0004014
	14.166 6.534 10.838 90 105.922 90 P2_1/c
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Mg1 0 0 0 .964 .031 .031 .033 .0032 .0093 .002
	Cu1 0 0 0 .036 .031 .031 .033 .0032 .0093 .002
	Mg2 .5 .5 0 .402 .0310 .0348 .0241 .0049 .0055 .0018
	Cu2 .5 .5 0 .598 .0310 .0348 .0241 .0049 .0055 .0018
	S .22874 .4693 .1744 .0327 .0381 .0323 .0005 .0088 .0010
	O1 .2019 .4718 .0327 .050 .047 .030 .008 .005 .003
	O2 .1440 .5424 .2159 .040 .059 .062 .021 .025 .013
	O3 .3142 .6036 .2245 .045 .059 .043 .018 .012 .010
	O4 .2533 .2582 .2230 .061 .027 .046 .008 .010 .005
	Wat1 .1053 .3750 .4255 .065 .070 .062 .038 .034 .022
	Wat2 .1043 .9561 .1765 .046 .048 .052 .001 .002 .005
	Wat3 .0273 .7908 .4297 .055 .035 .053 .004 .014 .005
	Wat4 .4810 .4535 .1751 .049 .046 .038 .005 .012 .003
	Wat5 .4309 .2692 .4419 .050 .046 .039 .0073 .011 .005
	Wat6 .3491 .8418 .4400 .043 .056 .047 .001 .008 .006
	Wat7 .3666 .0073 .1123 .046 .039 .046 .002 .008 .003
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	Alpersite
	Peterson R C, Hammarstrom J M, Seal R R
	American Mineralogist 91 (2006) 261-269
	Alpersite (Mg,Cu)SO4*7H2O, a new mineral of the melanterite group, and cuprian
	pentahydrite: Their occurrence within mine waste
	Locality: Miami, Arizona, USA
	_database_code_amcsd 0004015
	14.189 6.547 10.830 90 105.872 90 P2_1/c
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Mg1 0 0 0 .845 .027 .024 .035 .003 .010 .004
	Cu1 0 0 0 .155 .027 .024 .035 .003 .010 .004
	Mg2 .5 .5 0 .265 .029 .0300 .0247 .0044 .0064 .0019
	Cu2 .5 .5 0 .735 .029 .0300 .0247 .0044 .0064 .0019
	S .22865 .4672 .1741 .0307 .0310 .0363 .0006 .0102 .0003
	O1 .2017 .4691 .0321 .049 .046 .030 .007 .008 .001
	O2 .1444 .5431 .2181 .048 .050 .059 .015 .033 .012
	O3 .3152 .6028 .2240 .047 .044 .050 .018 .009 .011
	O4 .2538 .2569 .2221 .050 .036 .055 .008 .009 .007
	Wat1 .1057 .3789 .4256 .067 .063 .064 .030 .037 .024
	Wat2 .1047 .9562 .1773 .051 .043 .046 .004 .003 .003
	Wat3 .0286 .7911 .4300 .045 .034 .050 .003 .011 .008
	Wat4 .4814 .4530 .1737 .043 .048 .036 .004 .013 .001
	Wat5 .4294 .2645 .4391 .049 .040 .043 .007 .007 .007
	Wat6 .3480 .8390 .4413 .051 .053 .045 .008 .006 .007
	Wat7 .3682 .0085 .1131 .049 .036 .049 .001 .008 .004
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	Pentahydrite
	Peterson R C, Hammarstrom J M, Seal R R
	American Mineralogist 91 (2006) 261-269
	Alpersite (Mg,Cu)SO4*7H2O, a new mineral of the melanterite group, and cuprian
	pentahydrite: Their occurrence within mine waste
	Locality: Big Mike mine, Nevada, USA
	_database_code_amcsd 0004016
	6.2490 10.5846 6.0384 82.461 109.433 104.805 P-1
	atom x y z occ Uiso
	Mg1 0 0 0 .2 .049
	Cu1 0 0 0 .8 .049
	Mg2 .5 .5 0 .7 .048
	Cu2 .5 .5 0 .3 .048
	S .0363 .2884 .6392 .036
	O1 .910 .1601 .669 .037
	O2 .261 .3232 .842 .037
	O3 .872 .3715 .638 .037
	O4 .051 .2981 .408 .037
	Wat1 .820 .0683 .173 .037
	Wat2 .314 .1172 .174 .037
	Wat3 .530 .5959 .672 .037
	Wat4 .232 .5913 .981 .037
	Wat5 .453 .1276 .648 .037
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Pentahydrite
	Peterson R C, Hammarstrom J M, Seal R R
	American Mineralogist 91 (2006) 261-269
	Alpersite (Mg,Cu)SO4*7H2O, a new mineral of the melanterite group, and cuprian
	pentahydrite: Their occurrence within mine waste
	Locality: Miami, Arizona, USA
	_database_code_amcsd 0004017
	6.2470 10.5995 6.0395 82.530 109.408 104.794 P-1
	atom x y z occ Uiso
	Mg1 0 0 0 .1 .056
	Cu1 0 0 0 .9 .056
	Mg2 .5 .5 0 .7 .037
	Cu2 .5 .5 0 .3 .037
	S .0368 .2935 .6402 .039
	O1 .911 .1662 .666 .037
	O2 .263 .3227 .847 .037
	O3 .872 .3720 .639 .037
	O4 .053 .2958 .411 .037
	Wat1 .821 .0687 .178 .037
	Wat2 .312 .1161 .173 .037
	Wat3 .535 .5917 .671 .037
	Wat4 .230 .5917 .988 .037
	Wat5 .446 .1289 .647 .037
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	Hydronium jarosite
	Basciano L C, Peterson R C
	American Mineralogist 92 (2007) 1464-1473
	Jarosite - hydronium jarosite solid solution series with
	full iron occupancy: Mineralogy and crystal chemistry
	Locality: synthetic
	Sample: A
	_database_code_amcsd 0004429
	7.3552 7.3552 16.9945 90 90 120 R-3m
	atom x y z occ Biso
	H3O 0 0 0 .92 3.4
	Fe 1/6 -1/6 -1/6 1.99
	S 0 0 .3095 .9
	O1 0 0 .3946 2.6
	O2 .2253 -.2253 -.0565 1.5
	O3 .1279 -.1279 .1368 .5
	H .163 -.163 .100 2
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Hydronium jarosite
	Basciano L C, Peterson R C
	American Mineralogist 92 (2007) 1464-1473
	Jarosite - hydronium jarosite solid solution series with
	full iron occupancy: Mineralogy and crystal chemistry
	Locality: synthetic
	Sample: B
	_database_code_amcsd 0004430
	7.3521 7.3521 17.0108 90 90 120 R-3m
	atom x y z occ Biso
	K 0 0 0 .10 4.1
	H3O 0 0 0 .86 4.1
	Fe 1/6 -1/6 -1/6 2.55
	S 0 0 .3098 2.0
	O1 0 0 .3955 7.0
	O2 .2255 -.2255 -.0574 2.5
	O3 .1265 -.1265 .1350 .19
	H .186 -.186 .125 2
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Hydronium jarosite
	Basciano L C, Peterson R C
	American Mineralogist 92 (2007) 1464-1473
	Jarosite - hydronium jarosite solid solution series with
	full iron occupancy: Mineralogy and crystal chemistry
	Locality: synthetic
	Sample: C
	_database_code_amcsd 0004431
	7.3428 7.3428 17.0316 90 90 120 R-3m
	atom x y z occ Biso
	K 0 0 0 .20 2.8
	H3O 0 0 0 .81 2.8
	Fe 1/6 -1/6 -1/6 3.0
	S 0 0 .3109 2.2
	O1 0 0 .3962 6.3
	O2 .2264 -.2264 -.0589 2.4
	O3 .1309 -.1309 .1334 1.9
	H .155 -.155 .092 2
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	Hydronium jarosite
	Basciano L C, Peterson R C
	American Mineralogist 92 (2007) 1464-1473
	Jarosite - hydronium jarosite solid solution series with
	full iron occupancy: Mineralogy and crystal chemistry
	Locality: synthetic
	Sample: D
	_database_code_amcsd 0004432
	7.3373 7.3373 17.1030 90 90 120 R-3m
	atom x y z occ Biso
	K 0 0 0 .35 1.4
	H3O 0 0 0 .65 1.4
	Fe 1/6 -1/6 -1/6 2.48
	S 0 0 .3100 1.27
	O1 0 0 .3961 3.8
	O2 .2242 -.2242 -.0569 2.3
	O3 .1284 -.1284 .1365 1.2
	H .160 -.160 .100 2
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Jarosite
	Basciano L C, Peterson R C
	American Mineralogist 92 (2007) 1464-1473
	Jarosite - hydronium jarosite solid solution series with
	full iron occupancy: Mineralogy and crystal chemistry
	Locality: synthetic
	Sample: E
	_database_code_amcsd 0004433
	7.33009 7.33009 17.1374 90 90 120 R-3m
	atom x y z occ Biso
	K 0 0 0 .51 1.1
	H3O 0 0 0 .49 1.1
	Fe 1/6 -1/6 -1/6 1.98
	S 0 0 .3089 1.39
	O1 0 0 .3940 3.2
	O2 .2224 -.2224 -.0557 2.5
	O3 .1266 -.1266 .1358 .93
	H .177 -.177 .1105 2
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	Jarosite
	Basciano L C, Peterson R C
	American Mineralogist 92 (2007) 1464-1473
	Jarosite - hydronium jarosite solid solution series with
	full iron occupancy: Mineralogy and crystal chemistry
	Locality: synthetic
	Sample: F
	_database_code_amcsd 0004434
	7.32070 7.32070 17.1517 90 90 120 R-3m
	atom x y z occ Biso
	K 0 0 0 .60 1.1
	H3O 0 0 0 .40 1.1
	Fe 1/6 -1/6 -1/6 2.3
	S 0 0 .3096 1.9
	O1 0 0 .3953 4.6
	O2 .2213 -.2213 -.0556 2.7
	O3 .1270 -.1270 .1360 2.0
	H .177 -.177 .111 2
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	Jarosite
	Basciano L C, Peterson R C
	American Mineralogist 92 (2007) 1464-1473
	Jarosite - hydronium jarosite solid solution series with
	full iron occupancy: Mineralogy and crystal chemistry
	Locality: synthetic
	Sample: G
	_database_code_amcsd 0004435
	7.3112 7.3112 17.1792 90 90 120 R-3m
	atom x y z occ Biso
	K 0 0 0 .70 .3
	H3O 0 0 0 .30 .3
	Fe 1/6 -1/6 -1/6 1.26
	S 0 0 .3092 1.2
	O1 0 0 .3958 2.3
	O2 .2213 -.2213 -.0553 2.5
	O3 .1267 -.1267 .1350 .4
	H .173 -.173 .107 2
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	Jarosite
	Basciano L C, Peterson R C
	American Mineralogist 92 (2007) 1464-1473
	Jarosite - hydronium jarosite solid solution series with
	full iron occupancy: Mineralogy and crystal chemistry
	Locality: synthetic
	Sample: H
	_database_code_amcsd 0004436
	7.3070 7.3070 17.1916 90 90 120 R-3m
	atom x y z occ Biso
	K 0 0 0 .86 1.4
	H3O 0 0 0 .14 1.4
	Fe 1/6 -1/6 -1/6 1.3
	S 0 0 .3082 1.8
	O1 0 0 .3953 3.9
	O2 .2214 -.2214 -.0549 2.1
	O3 .1254 -.1254 .1350 .7
	H .185 -.185 .125 2
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	Jarosite
	Basciano L C, Peterson R C
	American Mineralogist 92 (2007) 1464-1473
	Jarosite - hydronium jarosite solid solution series with
	full iron occupancy: Mineralogy and crystal chemistry
	Locality: synthetic
	Sample: I
	_database_code_amcsd 0004437
	7.30293 7.30293 17.2043 90 90 120 R-3m
	atom x y z occ Biso
	K 0 0 0 .95 1.04
	H3O 0 0 0 .05 1.04
	Fe 1/6 -1/6 -1/6 1.8
	S 0 0 .3088 1.15
	O1 0 0 .3939 1.8
	O2 .2211 -.2211 -.0544 1.52
	O3 .1252 -.1252 .1344 .80
	H .1863 -.1863 .1289 2
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Jarosite
	Basciano L C, Peterson R C
	American Mineralogist 92 (2007) 1464-1473
	Jarosite - hydronium jarosite solid solution series with
	full iron occupancy: Mineralogy and crystal chemistry
	Locality: synthetic
	Sample: J
	_database_code_amcsd 0004438
	7.3063 7.3063 17.0341 90 90 120 R-3m
	atom x y z occ Biso
	K 0 0 0 .87 2.4
	H3O 0 0 0 .13 2.4
	Fe 1/6 -1/6 -1/6 .93 2.7
	S 0 0 .3111 1.7
	O1 0 0 .3966 3.5
	O2 .2227 -.2227 -.0568 2.5
	O3 .1278 -.1278 .1360 2.1
	H .168 -.168 .102 2
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Jarosite
	Basciano L C, Peterson R C
	American Mineralogist 92 (2007) 1464-1473
	Jarosite - hydronium jarosite solid solution series with
	full iron occupancy: Mineralogy and crystal chemistry
	Locality: Rio Tonto, Huelva, Spain
	Sample: 7-13-2-1
	_database_code_amcsd 0004439
	7.3478 7.3478 17.0280 90 90 120 R-3m
	atom x y z occ Biso
	K 0 0 0 .02 1.4
	H3O 0 0 0 1.4
	Fe 1/6 -1/6 -1/6 1.95
	S 0 0 .3095 1.1
	O1 0 0 .3949 2.6
	O2 .2243 -.2243 -.0566 2.2
	O3 .1267 -.1267 .1356 .9
	H .165 -.165 .1000 2
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	Jarosite
	Basciano L C, Peterson R C
	American Mineralogist 92 (2007) 1464-1473
	Jarosite - hydronium jarosite solid solution series with
	full iron occupancy: Mineralogy and crystal chemistry
	Locality: Rio Tonto, Huelva, Spain
	Sample: 7-11-3-8
	Note: could not reproduce reported bond lengths
	_database_code_amcsd 0004440
	7.3128 7.3128 17.1973 90 90 120 R-3m
	atom x y z occ Biso
	K 0 0 0 .84 1.4
	H3O 0 0 0 .16 1.4
	Fe 1/6 -1/6 -1/6 .91 1.62
	S 0 0 .3111 1.5
	O1 0 0 .3966 1.4
	O2 .2215 -.2215 -.0565 2.8
	O3 .1274 -.1274 .1367 1.0
	H .166 -.166 .102 2
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	Hydroniumjarosite
	Basciano L C, Peterson R C
	American Mineralogist 92 (2007) 1464-1473
	Jarosite - hydronium jarosite solid solution series with
	full iron occupancy: Mineralogy and crystal chemistry
	Locality: synthetic
	Sample: A
	_database_code_amcsd 0004441
	7.3552 7.3552 16.9945 90 90 120 R-3m
	atom x y z occ Biso
	H3O 0 0 0 .92 3.4
	Fe 1/6 -1/6 -1/6 1.99
	S 0 0 .3095 .9
	O1 0 0 .3946 2.6
	O2 .2253 -.2253 -.0565 1.5
	O3 .1279 -.1279 .1368 .5
	H .163 -.163 .100 2
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Hydroniumjarosite
	Basciano L C, Peterson R C
	American Mineralogist 92 (2007) 1464-1473
	Jarosite - hydronium jarosite solid solution series with
	full iron occupancy: Mineralogy and crystal chemistry
	Locality: synthetic
	Sample: B
	_database_code_amcsd 0004442
	7.3521 7.3521 17.0108 90 90 120 R-3m
	atom x y z occ Biso
	K 0 0 0 .10 4.1
	H3O 0 0 0 .86 4.1
	Fe 1/6 -1/6 -1/6 2.55
	S 0 0 .3098 2.0
	O1 0 0 .3955 7.0
	O2 .2255 -.2255 -.0574 2.5
	O3 .1265 -.1265 .1350 .19
	H .186 -.186 .125 2
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Hydroniumjarosite
	Basciano L C, Peterson R C
	American Mineralogist 92 (2007) 1464-1473
	Jarosite - hydronium jarosite solid solution series with
	full iron occupancy: Mineralogy and crystal chemistry
	Locality: synthetic
	Sample: C
	_database_code_amcsd 0004443
	7.3428 7.3428 17.0316 90 90 120 R-3m
	atom x y z occ Biso
	K 0 0 0 .20 2.8
	H3O 0 0 0 .81 2.8
	Fe 1/6 -1/6 -1/6 3.0
	S 0 0 .3109 2.2
	O1 0 0 .3962 6.3
	O2 .2264 -.2264 -.0589 2.4
	O3 .1309 -.1309 .1334 1.9
	H .155 -.155 .092 2
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Hydroniumjarosite
	Basciano L C, Peterson R C
	American Mineralogist 92 (2007) 1464-1473
	Jarosite - hydronium jarosite solid solution series with
	full iron occupancy: Mineralogy and crystal chemistry
	Locality: synthetic
	Sample: D
	_database_code_amcsd 0004444
	7.3373 7.3373 17.1030 90 90 120 R-3m
	atom x y z occ Biso
	K 0 0 0 .35 1.4
	H3O 0 0 0 .65 1.4
	Fe 1/6 -1/6 -1/6 2.48
	S 0 0 .3100 1.27
	O1 0 0 .3961 3.8
	O2 .2242 -.2242 -.0569 2.3
	O3 .1284 -.1284 .1365 1.2
	H .160 -.160 .100 2
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	Jarosite
	Basciano L C, Peterson R C
	American Mineralogist 93 (2008) 853-862
	Crystal chemistry of the natrojarosite-jarosite and natrojarosite-hydronium
	jarosite solid-solution: A synthetic study with full Fe site occupancy
	Locality: synthetic
	Sample: K
	_database_code_amcsd 0004571
	7.3045 7.3045 17.0875 90 90 120 R-3m
	atom x y z occ Biso
	K 0 0 0 .76 .7
	Na 0 0 0 .24 .7
	Fe .166667 -.166667 -.16667 2.27
	S 0 0 .3091 1.6
	O1 0 0 .3947 2.4
	O2 .2226 -.2226 -.0542 1.9
	O3 .1275 -.1275 .1325 .6
	H .165 -.165 .168 2
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Jarosite
	Basciano L C, Peterson R C
	American Mineralogist 93 (2008) 853-862
	Crystal chemistry of the natrojarosite-jarosite and natrojarosite-hydronium
	jarosite solid-solution: A synthetic study with full Fe site occupancy
	Locality: synthetic
	Sample: L
	_database_code_amcsd 0004572
	7.3052 7.3052 16.9706 90 90 120 R-3m
	atom x y z occ Biso
	K 0 0 0 .60 1.0
	Na 0 0 0 .40 1.0
	Fe .166667 -.166667 -.16667 2.6
	S 0 0 .3096 1.5
	O1 0 0 .3952 2.4
	O2 .2236 -.2236 -.0541 2.2
	O3 .1275 -.1275 .1333 .3
	H .161 -.161 .172 2
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Jarosite
	Basciano L C, Peterson R C
	American Mineralogist 93 (2008) 853-862
	Crystal chemistry of the natrojarosite-jarosite and natrojarosite-hydronium
	jarosite solid-solution: A synthetic study with full Fe site occupancy
	Locality: synthetic
	Sample: M
	_database_code_amcsd 0004573
	7.3079 7.3079 16.9028 90 90 120 R-3m
	atom x y z occ Biso
	K 0 0 0 .52 1.9
	Na 0 0 0 .46 1.9
	Fe .166667 -.166667 -.16667 2.14
	S 0 0 .3102 1.2
	O1 0 0 .3945 2.0
	O2 .2246 -.2246 -.0540 1.9
	O3 .1271 -.1271 .1325 .4
	H .157 -.157 .173 2
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Natrojarosite
	Basciano L C, Peterson R C
	American Mineralogist 93 (2008) 853-862
	Crystal chemistry of the natrojarosite-jarosite and natrojarosite-hydronium
	jarosite solid-solution: A synthetic study with full Fe site occupancy
	Locality: synthetic
	Sample: N
	_database_code_amcsd 0004574
	7.3101 7.3101 16.7658 90 90 120 R-3m
	atom x y z occ Biso
	Na 0 0 0 .69 2.5
	K 0 0 0 .29 2.5
	Fe .166667 -.166667 -.16667 2.02
	S 0 0 .3112 .7
	O1 0 0 .3972 1.9
	O2 .2252 -.2252 -.0528 1.1
	O3 .1267 -.1267 .1315 .2
	H .162 -.162 .170 2
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	Natrojarosite
	Basciano L C, Peterson R C
	American Mineralogist 93 (2008) 853-862
	Crystal chemistry of the natrojarosite-jarosite and natrojarosite-hydronium
	jarosite solid-solution: A synthetic study with full Fe site occupancy
	Locality: synthetic
	Sample: O
	_database_code_amcsd 0004575
	7.3144 7.3144 16.6491 90 90 120 R-3m
	atom x y z occ Biso
	Na 0 0 0 .85 3.4
	K 0 0 0 .11 3.4
	Fe .166667 -.166667 -.16667 1.62
	S 0 0 .3121 1.2
	O1 0 0 .4008 1.4
	O2 .2229 -.2229 -.0510 1.5
	O3 .1257 -.1257 .1305 .4
	H .162 -.162 .169 2
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	Natrojarosite
	Basciano L C, Peterson R C
	American Mineralogist 93 (2008) 853-862
	Crystal chemistry of the natrojarosite-jarosite and natrojarosite-hydronium
	jarosite solid-solution: A synthetic study with full Fe site occupancy
	Locality: synthetic
	Sample: P
	_database_code_amcsd 0004576
	7.31525 7.31525 16.5868 90 90 120 R-3m
	atom x y z Biso
	Na 0 0 0 3.0
	Fe .166667 -.166667 -.16667 1.09
	S 0 0 .3123 .91
	O1 0 0 .4020 .8
	O2 .2220 -.2220 -.0505 .85
	O3 .1252 -.1252 .13018 .33
	H .1583 -.1583 .1697 2
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	Natrojarosite
	Basciano L C, Peterson R C
	American Mineralogist 93 (2008) 853-862
	Crystal chemistry of the natrojarosite-jarosite and natrojarosite-hydronium
	jarosite solid-solution: A synthetic study with full Fe site occupancy
	Locality: synthetic
	Sample: Q
	_database_code_amcsd 0004577
	7.31984 7.31984 16.6474 90 90 120 R-3m
	atom x y z occ Biso
	Na 0 0 0 .87 3.0
	H3O 0 0 0 .13 3.0
	Fe .166667 -.166667 -.16667 1.43
	S 0 0 .3117 1.16
	O1 0 0 .4012 1.0
	O2 .2222 -.2222 -.0510 1.3
	O3 .1252 -.1252 .1304 .64
	H .1671 -.1671 .164 2
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	Natrojarosite
	Basciano L C, Peterson R C
	American Mineralogist 93 (2008) 853-862
	Crystal chemistry of the natrojarosite-jarosite and natrojarosite-hydronium
	jarosite solid-solution: A synthetic study with full Fe site occupancy
	Locality: synthetic
	Sample: R
	_database_code_amcsd 0004578
	7.3254 7.3254 16.7209 90 90 120 R-3m
	atom x y z occ Biso
	Na 0 0 0 .67 3.5
	H3O 0 0 0 .33 3.5
	Fe .166667 -.166667 -.16667 1.70
	S 0 0 .3111 .99
	O1 0 0 .3995 1.0
	O2 .2235 -.2235 -.0522 1.4
	O3 .1255 -.1255 .1308 .68
	H .166 -.166 .166 2
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	Hydroniumjarosite
	Basciano L C, Peterson R C
	American Mineralogist 93 (2008) 853-862
	Crystal chemistry of the natrojarosite-jarosite and natrojarosite-hydronium
	jarosite solid-solution: A synthetic study with full Fe site occupancy
	Locality: synthetic
	Sample: S
	_database_code_amcsd 0004579
	7.33876 7.33876 16.8105 90 90 120 R-3m
	atom x y z occ Biso
	Na 0 0 0 .49 5.4
	H3O 0 0 0 .51 5.4
	Fe .166667 -.166667 -.16667 1.66
	S 0 0 .3099 1.44
	O1 0 0 .3990 1.4
	O2 .2235 -.2235 -.0535 1.9
	O3 .1255 -.1255 .1320 .42
	H .166 -.166 .166 2
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	Hydroniumjarosite
	Basciano L C, Peterson R C
	American Mineralogist 93 (2008) 853-862
	Crystal chemistry of the natrojarosite-jarosite and natrojarosite-hydronium
	jarosite solid-solution: A synthetic study with full Fe site occupancy
	Locality: synthetic
	Sample: T
	_database_code_amcsd 0004580
	7.3420 7.3420 16.8574 90 90 120 R-3m
	atom x y z occ Biso
	Na 0 0 0 .35 8.0
	H3O 0 0 0 .65 8.0
	Fe .166667 -.166667 -.16667 1.84
	S 0 0 .3089 1.81
	O1 0 0 .3979 .5
	O2 .2229 -.2229 -.0538 2.6
	O3 .1257 -.1257 .1326 .5
	H .171 -.171 .163 2
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	Hydroniumjarosite
	Basciano L C, Peterson R C
	American Mineralogist 93 (2008) 853-862
	Crystal chemistry of the natrojarosite-jarosite and natrojarosite-hydronium
	jarosite solid-solution: A synthetic study with full Fe site occupancy
	Locality: synthetic
	Sample: U
	_database_code_amcsd 0004581
	7.34742 7.34742 16.9253 90 90 120 R-3m
	atom x y z occ Biso
	Na 0 0 0 .24 7.1
	H3O 0 0 0 .76 7.1
	Fe .166667 -.166667 -.16667 2.11
	S 0 0 .3094 1.9
	O1 0 0 .3998 2.2
	O2 .2242 -.2242 -.0548 2.8
	O3 .1266 -.1266 .1338 .3
	H .169 -.169 .167 2
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	Konyaite
	Leduc E M S, Peterson R C, Wang R
	American Mineralogist 94 (2009) 1005-1011
	The crystal structure and hydrogen bonding of synthetic konyaite, Na2Mg(SO4)2*5H2O
	Locality: synthetic
	_database_code_amcsd 0004958
	5.7690 23.951 8.0460 90 95.425 90 P2_1/c
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Na1 .2203 .5495 .5513 .016 .019 .015 .014 -.001 -.004 -.001
	Na2 .1837 .4453 .8445 .017 .020 .016 .014 -.001 .000 .001
	Mg .5349 .6408 .8182 .010 .010 .010 .010 .000 .000 .000
	S1 .2878 .4911 .2009 .009 .010 .010 .009 .000 .000 .000
	S2 .0047 .6677 .3255 .011 .010 .010 .011 .000 .000 .001
	O1 -.0458 .6177 .4224 .017 .015 .014 .024 .000 .004 .006
	O2 .0538 .6495 .1567 .018 .016 .027 .012 .003 .000 -.003
	O3 -.1972 .7055 .3113 .016 .015 .013 .021 .004 -.002 -.002
	O4 .2114 .6969 .4066 .016 .016 .016 .016 -.005 -.005 .002
	O5 .1067 .4956 .3174 .016 .015 .017 .015 -.002 .004 -.004
	O6 .2264 .5270 .0562 .017 .021 .014 .015 .000 -.002 .005
	O7 .2935 .4325 .1386 .013 .015 .011 .014 .002 -.001 -.001
	O8 .5153 .5067 .2860 .016 .013 .016 .017 -.002 -.003 -.001
	Ow1 .2162 .6019 .8060 .013 .011 .013 .014 .001 .002 .003
	Ow2 .5383 .6245 .5616 .015 .014 .018 .012 .003 .003 .002
	Ow3 .8470 .6825 .8560 .014 .014 .013 .015 -.002 -.002 .002
	Ow4 .5039 .6514 .0720 .021 .014 .034 .015 -.009 .005 -.010
	Ow5 .3687 .7133 .7400 .017 .021 .013 .016 .006 -.002 -.002
	H1A .107 .622 .802 .028
	H1B .207 .582 .872 .033
	H2A .471 .648 .503 .04
	H2B .669 .622 .524 .033
	H3A .909 .680 .944 .016
	H3B .839 .718 .844 .042
	H4A .574 .675 .138 .031
	H4B .374 .650 .106 .031
	H5A .324 .739 .792 .024
	H5B .301 .715 .651 .06
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	Cranswickite
	Peterson R C
	American Mineralogist 96 (2011) 869-877
	Cranswickite MgSO4*4H2O, a new mineral from Calingasta, Argentina
	Locality: Calingasta, San Juan Province, Argentina
	_database_code_amcsd 0018329
	11.9236 5.1736 12.1958 90 117.548 90 C2/c
	atom x y z Biso
	Mg 0 0 .5 1.19
	S 0 .3131 .75 1.57
	O1 .1165 .5160 .2925 2.1
	O2 .9834 .1424 .6456 2.3
	Wat3 .8759 .7094 .4976 .95
	Wat4 .8543 .2347 .3732 .37
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	Scapolite
	Peterson R C, Donnay G, Le Page Y
	The Canadian Mineralogist 17 (1979) 53-61
	Sulfate disorder in scapolite
	_database_code_amcsd 0005159
	12.158 12.158 7.573 90 90 90 I4/m
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ca .35783 .28298 .5 .73 .0124 .0162 .0351 .0039 0 0
	Na .35783 .28298 .5 .23 .0124 .0162 .0351 .0039 0 0
	Si .33916 .40831 0 .59 .0049 .0062 .0096 -.0017 0 0
	Al .66023 .91311 .79306 .41 .0078 .0077 .0066 -.0012 .0001 .0007
	O1 .45805 .3481 0 .0092 .0161 .0226 .0011 0 0
	O2 .6867 .87309 0 .0204 .0131 .0105 .0049 0 0
	O3 .34942 .94961 .7928 .0195 .0169 .0178 -.0001 -.0003 -.0045
	O5 .26668 .36560 .8261 .0022 .0152 .0308 .0046 -.0165 -.0040
	O7 .507 .385 .5 .16 .0020 .0035 .0060 -.0197 0 0
	O8 .602 .533 .5 .16 .0040 .0160 .0060 -.0140 0 0
	O9 .415 .535 .5 .16 .0070 .0080 .0012 .0050 0 0
	O10 .5996 .5177 .606 .04 .0320 .0360 .0430 -.0020 -.0170 -.0040
	C .4925 .5130 .5 .17
	S .5 .5 .5 .29 .0214 .0214 .0194 0 0 0
	Cl .5 .5 .5 .03 .0214 .0214 .0194 0 0 0
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	Sodalite
	Peterson R C
	The Canadian Mineralogist 21 (1983) 549-552
	The structure of hackmanite, a variety of sodalite, from Mont
	St-Hilaire, Quebec
	Locality: Mont St-Hilaire, Quebec, Canada
	_database_code_amcsd 0005193
	8.877 8.877 8.877 90 90 90 P-43n
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Na .1778 .1778 .1778 .94 .0045 .0045 .0045 .0002 .0002 .0002
	Fe .1778 .1778 .1778 .01 .0045 .0045 .0045 .0002 .0002 .0002
	Al .25 .5 0 .0016 .0016 .0016 0 0 0
	Si .25 0 .5 .0013 .0016 .0016 0 0 0
	O .1390 .4382 .1498 .0025 .0029 .0031 .0003 .0013 -.0002
	Cl 0 0 0 1.89
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	Gittinsite
	Roelofsen-Ahl J N, Peterson R C
	The Canadian Mineralogist 27 (1989) 703-708
	Gittinsite: A modification of the thortveitite structure
	_database_code_amcsd 0005233
	6.852 8.659 4.686 90 101.69 90 C2
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Zr 0 .3140 .5 .0103 .0099 .0096 0 .0015 0
	Ca 0 .7063 .5 .0179 .0104 .027 0 -.014 0
	Si .2123 .9920 .9187 .0128 .0126 .0086 .002 -.001 -.001
	O1 0 .9387 0 .013 .029 .027 0 .007 0
	O2 .3734 0 .2196 .016 .016 .012 .001 -.008 .002
	O3 .1885 .1549 .7405 .030 .012 .015 .001 -.006 .001
	O4 .2640 .8539 .7103 .021 .016 .013 -.004 .005 -.009
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	Fichtelite
	Mace H A, Peterson R C
	The Canadian Mineralogist 33 (1995) 7-11
	The crystal structure of fichtelite, a naturally occuring hydrocarbon
	_database_code_amcsd 0005418
	10.706 7.458 10.824 90 105.85 90 P2_1
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	C1 .2185 .440 .6233 .084 .052 .071 -.011 .014 -.004
	C2 .2271 .347 .7502 .079 .055 .085 -.007 .010 .015
	C3 .3596 .376 .8411 .093 .065 .073 .015 .027 .014
	C4 .3942 .573 .8651 .056 .060 .063 .007 .009 -.002
	C5 .3743 .671 .7354 .055 .065 .057 .007 .015 -.003
	C6 .4093 .870 .7514 .069 .061 .070 -.020 .001 -.008
	C7 .4189 .953 .6256 .059 .064 .070 -.019 .011 -.004
	C8 .2959 .919 .5177 .053 .054 .061 -.004 .018 -.006
	C9 .2595 .719 .5046 .053 .044 .055 -.005 .010 -.006
	C10 .2426 .645 .6348 .055 .040 .066 -.003 .007 .003
	C11 .1423 .697 .3925 .103 .037 .073 -.023 .001 -.004
	C12 .1654 .766 .2688 .084 .061 .056 -.009 .002 -.002
	C13 .1909 .969 .2780 .051 .062 .064 .004 .017 -.003
	C14 .3122 -.005 .3920 .058 .065 .061 -.008 .017 .000
	C15 .2084 .058 .1551 .057 .100 .057 .003 .015 .014
	C16 .212 .262 .172 .150 .074 .072 -.043 .010 .028
	C17 .099 .016 .042 .117 .064 .095 .013 .021 .015
	C18 .3215 .657 .9575 .099 .085 .058 .010 .029 .007
	C19 .1292 .732 .6699 .046 .085 .078 .004 .024 .008
	H1 .269 .40 .582 .08
	H2 .881 -.080 .439 .04
	H3 .797 -.29 .268 .08
	H4 .135 .416 .784 .07
	H5 .574 -.165 .200 .06
	H6 .653 -.213 .074 .08
	H7 .506 .072 .106 .04
	H8 .446 .615 .681 .04
	H9 .486 .872 .800 .07
	H10 .662 .438 .205 .07
	H11 .501 .39 .400 .15
	H12 .522 .55 .375 .16
	H13 .772 .480 .460 .02
	H14 .346 .613 .478 .07
	H15 .969 .27 .596 .12
	H16 .126 .603 .375 .01
	H17 .266 .68 .254 .12
	H18 .894 .241 .804 .02
	H19 .892 .508 .704 .04
	H20 .347 .11 .386 .12
	H21 .392 .89 .352 .13
	H22 .694 .502 .857 .06
	H23 .095 .929 .028 .01
	H24 .144 .09 .967 .14
	H25 -.015 .04 .045 .12
	H26 .228 .30 .109 .03
	H27 .263 .336 .226 .05
	H28 .202 .62 .922 .16
	H29 .334 .81 .984 .09
	H30 .337 .623 .026 .04
	H31 .103 .689 .747 .07
	H32 .048 .71 .617 .08
	H33 .131 .85 .695 .10
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	Schorlomite
	Peterson R C, Locock A J, Luth R W
	The Canadian Mineralogist 33 (1995) 627-631
	Positional disorder of oxygen in garnet: the crystal-structure
	refinement of schorlomite
	Sample: model 1
	_database_code_amcsd 0005430
	12.157 12.157 12.157 90 90 90 Ia-3d
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	SiZ .375 0 .25 .78 .014 .011 .011 0 0 0
	FeZ .375 0 .25 .22 .014 .011 .011 0 0 0
	TiY 0 0 0 .53 .0070 .0070 .0070 .001 .001 .001
	FeY 0 0 0 .35 .0070 .0070 .0070 .001 .001 .001
	AlY 0 0 0 .07 .0070 .0070 .0070 .001 .001 .001
	ZrY 0 0 0 .02 .0070 .0070 .0070 .001 .001 .001
	MgY 0 0 0 .02 .0070 .0070 .0070 .001 .001 .001
	MnY 0 0 0 .01 .0070 .0070 .0070 .001 .001 .001
	CaX .125 0 .25 .96 .003 .008 .008 0 0 .006
	MgX .125 0 .25 .03 .003 .008 .008 0 0 .006
	NaX .125 0 .25 .01 .003 .008 .008 0 0 .006
	O .0368 .0488 .6528 .016 .006 .012 -.003 .009 -.002
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	Schorlomite
	Peterson R C, Locock A J, Luth R W
	The Canadian Mineralogist 33 (1995) 627-631
	Positional disorder of oxygen in garnet: the crystal-structure
	refinement of schorlomite
	Sample: model 2, split oxygen
	_database_code_amcsd 0005431
	12.157 12.157 12.157 90 90 90 Ia-3d
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	SiZ .375 0 .25 .78 .017 .010 .010 0 0 0
	FeZ .375 0 .25 .22 .017 .010 .010 0 0 0
	TiY 0 0 0 .53 .0071 .0071 .0071 .001 .001 .001
	FeY 0 0 0 .35 .0071 .0071 .0071 .001 .001 .001
	AlY 0 0 0 .07 .0071 .0071 .0071 .001 .001 .001
	ZrY 0 0 0 .02 .0071 .0071 .0071 .001 .001 .001
	MgY 0 0 0 .02 .0071 .0071 .0071 .001 .001 .001
	MnY 0 0 0 .01 .0071 .0071 .0071 .001 .001 .001
	CaX .125 0 .25 .96 .000 .009 .009 0 0 .006
	MgX .125 0 .25 .03 .000 .009 .009 0 0 .006
	NaX .125 0 .25 .01 .000 .009 .009 0 0 .006
	O1 .0406 .0479 .6556 .5 .006
	O2 .521 .448 .360 .5 .006
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	Lindsleyite
	Peterson R C, Grey I E
	The Canadian Mineralogist 33 (1995) 1083-1089
	Preparation and structure refinement of synthetic Ti-containing
	lindsleyite, BaMn3Ti18O38
	_database_code_amcsd 0005464
	10.4369 10.4369 20.8871 90 90 120 R-3
	atom x y z Biso
	BaA 0 0 0 .59
	MnT 0 0 .3103 .48
	MnM1 0 0 .5 .83
	TiM2 .1860 .1434 .1650 .39
	TiM3 .9173 .2402 .3926 .49
	TiM4 .0714 .7589 .3989 .42
	O1 .874 .065 .4355 .6
	O2 .706 .505 .4432 .4
	O3 .365 .260 .5589 .0
	O4 .600 .563 .5511 1.1
	O5 .054 .207 .3373 .8
	O6 .358 .262 .3413 .2
	O7 0 0 .2131 .4
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	Loveringite
	Peterson R C
	The Canadian Mineralogist 36 (1998) 763-774
	The stability and crystal chemistry of synthetic loveringite
	in the system Ca-Mn-Ti-O under strongly reducing conditions
	Sample: 9b
	_database_code_amcsd 0005542
	10.4200 10.4200 20.9413 90 90 120 R-3
	atom x y z occ Biso
	CaA 0 0 0 2.3
	MnT 0 0 .3098 .51
	Ca1 0 0 .5 .6 .6
	Mn1 0 0 .5 .4 .6
	Mn2 .1864 .1463 .1645 .1 .58
	Ti2 .1864 .1463 .1645 .9 .58
	Ti3 .9129 .2428 .3908 .51
	Ti4 .0753 .7604 .3988 .57
	O1 .865 .062 .4345 .81
	O2 .703 .500 .4406 .81
	O3 .360 .259 .5586 .81
	O4 .597 .558 .5499 .81
	O5 .052 .205 .3372 .81
	O6 .370 .267 .3399 .81
	O7 0 0 .2123 .81
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	Loveringite
	Peterson R C
	The Canadian Mineralogist 36 (1998) 763-774
	The stability and crystal chemistry of synthetic loveringite
	in the system Ca-Mn-Ti-O under strongly reducing conditions
	Sample: 36b
	_database_code_amcsd 0005543
	10.4027 10.4027 20.8817 90 90 120 R-3
	atom x y z occ Biso
	CaA 0 0 0 2.7
	MnT 0 0 .3116 .9 1.0
	TiT 0 0 .3116 .1 1.0
	Ca1 0 0 .5 .5 .7
	Mn1 0 0 .5 .5 .7
	Ti2 .1854 .1434 .1653 .51
	Ti3 .9133 .2429 .3904 .55
	Ti4 .0749 .7581 .3989 .40
	O1 .871 .054 .4329 .59
	O2 .709 .503 .4445 .59
	O3 .354 .259 .5585 .59
	O4 .597 .560 .5500 .59
	O5 .055 .204 .3407 .59
	O6 .370 .269 .3387 .59
	O7 0 0 .212 .59
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	Schoenfliesite
	Basciano L C, Peterson R C, Roeder P L
	The Canadian Mineralogist 36 (1998) 1203-1210
	Description of schoenfliesite, MgSn(OH)6, and roxbyite, Cu1.72S, from a 1375 BC shipwreck,
	and rietveld neutron-diffraction refinement of synthetic schoenfliesite, wickmanite,
	MnSn(OH)6, and burtite, CaSn(OH)6
	Locality: a 1375 BC shipwreck
	_database_code_amcsd 0005565
	7.7449 7.7449 7.7449 90 90 90 *Pn3
	.25 .25 .25
	atom x y z occ
	Mg 0 0 0
	Sn .5 .5 .5
	H1 -.044 .1994 .2448 .5
	H2 -.222 .074 .219 .5
	O -.0619 .0751 .254
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	Wickmanite
	Basciano L C, Peterson R C, Roeder P L
	The Canadian Mineralogist 36 (1998) 1203-1210
	Description of schoenfliesite, MgSn(OH)6, and roxbyite, Cu1.72S, from a 1375 BC shipwreck,
	and rietveld neutron-diffraction refinement of synthetic schoenfliesite, wickmanite,
	MnSn(OH)6, and burtite, CaSn(OH)6
	Locality: a 1375 BC shipwreck
	_database_code_amcsd 0005566
	7.8744 7.8744 7.8744 90 90 90 *Pn3
	.25 .25 .25
	atom x y z occ
	Mn 0 0 0
	Sn .5 .5 .5
	H1 -.0781 .202 .234 .5
	H2 -.201 .069 .270 .5
	O -.0643 .0755 .2586
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	Burtite
	Basciano L C, Peterson R C, Roeder P L
	The Canadian Mineralogist 36 (1998) 1203-1210
	Description of schoenfliesite, MgSn(OH)6, and roxbyite, Cu1.72S, from a 1375 BC shipwreck,
	and rietveld neutron-diffraction refinement of synthetic schoenfliesite, wickmanite,
	MnSn(OH)6, and burtite, CaSn(OH)6
	Locality: a 1375 BC shipwreck
	_database_code_amcsd 0005567
	8.1221 8.1221 8.1221 90 90 90 *Pn3
	.25 .25 .25
	atom x y z occ
	Ca 0 0 0
	Sn .5 .5 .5
	H1 -.0346 .2011 .2869 .5
	H2 -.1805 .0638 .3026 .5
	O -.0663 .0787 .2694
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	Ludwigite
	Irwin M B, Peterson R C
	The Canadian Mineralogist 37 (1999) 939-943
	The crystal structure of ludwigite
	Locality: Crestmore quarry, California, USA
	_database_code_amcsd 0005628
	9.2411 12.2948 3.0213 90 90 90 Pbam
	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 .99 .0057 .0053 .0054 .0065 -.0008 0 0
	Fe1 0 0 0 .01 .0057 .0053 .0054 .0065 -.0008 0 0
	Mg2 .5 0 .5 .443 .0070 .0095 .0043 .0065 -.0004 0 0
	Fe2 .5 0 .5 .557 .0070 .0095 .0043 .0065 -.0004 0 0
	Mg3 .0023 .2798 0 .99 .0052 .0057 .0040 .0058 .0005 0 0
	Fe3 .0023 .2798 0 .01 .0052 .0057 .0040 .0058 .0005 0 0
	Al4 .2399 .1145 .5 .08 .0049 .0048 .0050 .0049 -.0010 0 0
	Fe4 .2399 .1145 .5 .92 .0049 .0048 .0050 .0049 -.0010 0 0
	B .2743 .3600 .5 .0056 .0062 .0049 .0057 .0006 0 0
	O1 .8502 .0434 .5 .0069 .0063 .0054 .0090 -.0007 0 0
	O2 .3841 .0772 0 .0072 .0067 .0057 .0095 .0006 0 0
	O3 .6253 .1424 .5 .0072 .0060 .0064 .0091 .0003 0 0
	O4 .1092 .1424 0 .0064 .0063 .0053 .0077 .0001 0 0
	O5 .8508 .2373 .5 .0075 .0081 .0048 .0088 .0004 0 0
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	Diopside
	Herd C D K, Peterson R C, Rossman G R
	The Canadian Mineralogist 38 (2000) 1193-1199
	Violet-colored diopside from Southern Baffin Island, Nunavut, Canada
	Locality: Southern Baffin Island, Nunavut, Canada
	_database_code_amcsd 0005694
	9.730 8.873 5.275 90 105.95 90 C2/c
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Mg1 0 .9080 .25 .86 .0043 .0052 .0036 0 .0007 0
	Al1 0 .9080 .25 .06 .0043 .0052 .0036 0 .0007 0
	Fe1 0 .9080 .25 .05 .0043 .0052 .0036 0 .0007 0
	Ti1 0 .9080 .25 .02 .0043 .0052 .0036 0 .0007 0
	Ca2 0 .3021 .25 .96 .0097 .0077 .0055 0 .0006 0
	Na2 0 .3021 .25 .04 .0097 .0077 .0055 0 .0006 0
	Si .28650 .09339 .2284 .95 .0037 .0056 .0044 .0001 .0010 -.0005
	Al .28650 .09339 .2284 .05 .0037 .0056 .0044 .0001 .0010 -.0005
	O1 .1148 .0865 .1407 .99 .0051 .0103 .0078 .0008 .0017 -.0009
	OH1 .1148 .0865 .1407 .01 .0051 .0103 .0078 .0008 .0017 -.0009
	O2 .3612 .2514 .3178 .99 .0109 .0075 .0081 -.0003 .0025 .0004
	OH2 .3612 .2514 .3178 .01 .0109 .0075 .0081 -.0003 .0025 .0004
	O3 .3513 .0177 .9947 .99 .0062 .0102 .0065 -.0006 .0012 -.0028
	OH3 .3513 .0177 .9947 .01 .0062 .0102 .0065 -.0006 .0012 -.0028
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	Siderotil
	Peterson R C, Roeder P L, Zhang Y
	The Canadian Mineralogist 41 (2003) 671-676
	The atomic structure of siderotil, (Fe,Cu)SO4.5H2O
	_database_code_amcsd 0005844
	6.292 10.632 6.072 82.63 110.02 105.19 P-1
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	CuM1 0 0 0 .54 .0270 .0275 .0297 .0233 .0073 .0072 -.0006
	FeM1 0 0 0 .35 .0270 .0275 .0297 .0233 .0073 .0072 -.0006
	ZnM1 0 0 0 .05 .0270 .0275 .0297 .0233 .0073 .0072 -.0006
	MgM1 0 0 0 .06 .0270 .0275 .0297 .0233 .0073 .0072 -.0006
	FeM2 1/2 1/2 0 .76 .0214 .0205 .0255 .0183 .0066 .0063 .0015
	FeM2 1/2 1/2 0 .11 .0214 .0205 .0255 .0183 .0066 .0063 .0015
	FeM2 1/2 1/2 0 .13 .0214 .0205 .0255 .0183 .0066 .0063 .0015
	S .0301 .2886 .6519 .0204 .0177 .0254 .0168 .0052 .0046 .0008
	O1 .9256 .1519 .7050 .0323 .028 .030 .032 .000 .008 .002
	O2 .2628 .3269 .8290 .0300 .024 .031 .027 .005 -.001 .001
	O3 .8838 .3748 .6554 .0295 .025 .041 .026 .015 .006 -.003
	O4 .0581 .2988 .4177 .0303 .034 .041 .021 .012 .012 .001
	Wat5 .8283 .0750 .1585 .0349 .039 .035 .035 .006 .018 -.004
	Wat6 .3097 .1173 .1807 .0327 .034 .028 .034 .002 .011 -.002
	Wat7 .4765 .4040 .3171 .0316 .030 .043 .021 .009 .009 .006
	Wat8 .7603 .4061 .0277 .0328 .029 .047 .028 .020 .009 .000
	Wat9 .4476 .1302 .6631 .0373 .027 .043 .037 .008 .008 .007
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	Melanterite
	Peterson R C
	The Canadian Mineralogist 41 (2003) 937-949
	The relatinship between Cu content and distortion in the atomic structure
	of melanterite from the Richmond mine, Iron Mountain, California
	Sample: melant8
	Locality: Richmond mine, Iron Mountain, California
	_database_code_amcsd 0005866
	14.04 6.502 10.952 90 105.81 90 P2_1/c
	atom x y z Uiso
	Fe1 0 0 0
	Fe2 .5 0 .5
	S .7732 -.0289 .3237 .0193
	O1 .7960 -.0293 .4638 .029
	O2 .8634 .0368 .2891 .03035
	O3 .6918 .1160 .2727 .03138
	O4 .7447 -.2360 .2736 .03329
	Wat5 -.1117 -.1170 .0688 .05241
	Wat6 .1008 -.0443 .1830 .03382
	Wat7 -.0306 .2964 .0679 .03003
	Wat8 .5198 -.0427 .3193 .0319
	Wat9 .4311 .2862 .4411 .03301
	Wat10 .3534 -.1407 .4401 .03317
	Wat11 .3632 .0056 .1148 .03638
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	Melanterite
	Peterson R C
	The Canadian Mineralogist 41 (2003) 937-949
	The relatinship between Cu content and distortion in the atomic structure
	of melanterite from the Richmond mine, Iron Mountain, California
	Sample: M10b
	Locality: Richmond mine, Iron Mountain, California
	_database_code_amcsd 0005867
	14.060 6.505 10.943 90 105.75 90 P2_1/c
	atom x y z occ Uiso
	Fe1 0 0 0
	Fe2 .5 0 .5 .8
	Cu2 .5 0 .5 .2
	S .7730 -.0296 .3241 .0208
	O1 .7954 -.0298 .4642 .0286
	O2 .8628 .0369 .2887 .03111
	O3 .6908 .1148 .2733 .0366
	O4 .7459 -.2393 .2748 .03138
	Wat5 -.1130 -.1152 .0689 .05025
	Wat6 .1026 -.0435 .1836 .03579
	Wat7 -.0304 .2958 .0669 .03217
	Wat8 .5207 -.0415 .3197 .03486
	Wat9 .4299 .2840 .4417 .03474
	Wat10 .3527 -.1447 .4399 .03527
	Wat11 .3637 .0047 .1140 .03423
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	Melanterite
	Peterson R C
	The Canadian Mineralogist 41 (2003) 937-949
	The relatinship between Cu content and distortion in the atomic structure
	of melanterite from the Richmond mine, Iron Mountain, California
	Sample: 98-rp-53
	Locality: Richmond mine, Iron Mountain, California
	_database_code_amcsd 0005868
	14.071 6.505 10.958 90 105.69 90 P2_1/c
	atom x y z occ Uiso
	Fe1 0 0 0
	Fe2 .5 0 .5 .5352
	Cu2 .5 0 .5 .4150
	Zn2 .5 0 .5 .0498
	S .7721 -.0316 .3246 .02783
	O1 .7961 -.0318 .4646 .0358
	O2 .8598 .0381 .2865 .0416
	O3 .6895 .1103 .2745 .04051
	O4 .7457 -.2406 .2755 .03913
	Wat5 -.1129 -.1164 .0703 .05633
	Wat6 .1017 -.0450 .1832 .04159
	Wat7 -.0293 .2967 .0679 .03895
	Wat8 .5194 -.0442 .3221 .03963
	Wat9 .4304 .2761 .4410 .04206
	Wat10 .3502 -.1515 .4409 .04228
	Wat11 .3656 .0070 .1135 .04096
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	Melanterite
	Peterson R C
	The Canadian Mineralogist 41 (2003) 937-949
	The relatinship between Cu content and distortion in the atomic structure
	of melanterite from the Richmond mine, Iron Mountain, California
	Sample: n73
	Locality: Richmond mine, Iron Mountain, California
	_database_code_amcsd 0005869
	14.079 6.505 10.947 90 105.77 90 P2_1/c
	atom x y z occ Uiso
	Fe1 0 0 0
	Fe2 .5 0 .5 .52
	Cu2 .5 0 .5 .48
	S .7725 -.0322 .3245 .02298
	O1 .7951 -.0319 .4646 .02771
	O2 .8591 .037 .2865 .03697
	O3 .6904 .1062 .2730 .0348
	O4 .7445 -.242 .2757 .03646
	Wat5 -.1105 -.110 .0719 .05829
	Wat6 .0994 -.0431 .1838 .03726
	Wat7 -.0292 .2974 .0681 .0361
	Wat8 .5196 -.046 .3236 .03382
	Wat9 .4306 .277 .4419 .03603
	Wat10 .3502 -.148 .4396 .03611
	Wat11 .3656 .009 .1139 .03809
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	Melanterite
	Peterson R C
	The Canadian Mineralogist 41 (2003) 937-949
	The relatinship between Cu content and distortion in the atomic structure
	of melanterite from the Richmond mine, Iron Mountain, California
	Sample: m2
	Locality: Richmond mine, Iron Mountain, California
	_database_code_amcsd 0005870
	14.081 6.510 10.997 90 105.63 90 P2_1/c
	atom x y z occ Uiso
	Fe1 0 0 0
	Fe2 .5 0 .5 .3034
	Cu2 .5 0 .5 .172
	Zn2 .5 0 .5 .5246
	S .7727 -.0294 .3241 .02999
	O1 .7958 -.0297 .4637 .03869
	O2 .8614 .0387 .2874 .04355
	O3 .6900 .1121 .2725 .04419
	O4 .7452 -.2386 .2737 .0444
	Wat5 -.1123 -.1167 .0702 .06171
	Wat6 .1011 -.0437 .1822 .04432
	Wat7 -.0290 .2961 .0683 .04278
	Wat8 .5195 -.0423 .3203 .04209
	Wat9 .4308 .2817 .4416 .04412
	Wat10 .3528 -.1452 .4402 .04497
	Wat11 .3649 .0055 .1152 .04456
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	Melanterite
	Peterson R C
	The Canadian Mineralogist 41 (2003) 937-949
	The relatinship between Cu content and distortion in the atomic structure
	of melanterite from the Richmond mine, Iron Mountain, California
	Sample: m40a
	Locality: Richmond mine, Iron Mountain, California
	_database_code_amcsd 0005871
	14.077 6.497 10.949 90 105.81 90 P2_1/c
	atom x y z occ Uiso
	Fe1 0 0 0
	Fe2 .5 0 .5 .22
	Cu2 .5 0 .5 .78
	S .7710 -.0352 .3250 .02848
	O1 .7963 -.0366 .4651 .03734
	O2 .8562 .0397 .2837 .04576
	O3 .6879 .1027 .2768 .04148
	O4 .7464 -.2423 .2749 .04099
	Wat5 -.1127 -.1119 .0701 .0627
	Wat6 .1016 -.0447 .1841 .04686
	Wat7 -.0284 .2983 .0686 .04524
	Wat8 .5183 -.0485 .3264 .04171
	Wat9 .4295 .2639 .4400 .0469
	Wat10 .3465 -.1626 .4419 .046
	Wat11 .3691 .0086 .1131 .04074
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	Melanterite
	Peterson R C
	The Canadian Mineralogist 41 (2003) 937-949
	The relatinship between Cu content and distortion in the atomic structure
	of melanterite from the Richmond mine, Iron Mountain, California
	Sample: 98-rp-36
	Locality: Richmond mine, Iron Mountain, California
	_database_code_amcsd 0005872
	14.052 6.496 11.026 90 105.61 90 P2_1/c
	atom x y z occ Uiso
	Fe1 0 0 0
	Fe2 .5 0 .5 .2118
	Cu2 .5 0 .5 .1398
	Zn2 .5 0 .5 .6484
	S .7729 -.0301 .3239 .01485
	O1 .7948 -.0324 .4639 .02366
	O2 .8637 .0381 .2869 .02632
	O3 .6915 .1171 .2747 .02459
	O4 .7445 -.2365 .2751 .02591
	Wat5 -.1128 -.120 .0712 .04184
	Wat6 .1006 -.0466 .1858 .02932
	Wat7 -.0307 .2936 .0692 .02335
	Wat8 .5205 -.0440 .3193 .02801
	Wat9 .4303 .2831 .4410 .02702
	Wat10 .3525 -.14229 .4417 .02599
	Wat11 .3631 .0047 .1133 .03109
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	Melanterite
	Peterson R C
	The Canadian Mineralogist 41 (2003) 937-949
	The relatinship between Cu content and distortion in the atomic structure
	of melanterite from the Richmond mine, Iron Mountain, California
	Sample: mati-19
	Locality: Richmond mine, Iron Mountain, California
	_database_code_amcsd 0005873
	14.080 6.498 10.955 90 105.65 90 P2_1/c
	atom x y z occ Uiso
	Fe1 0 0 0
	Fe2 .5 0 .5 .117
	Cu2 .5 0 .5 .450
	Zn2 .5 0 .5 .433
	S .7725 -.0307 .3244 .02861
	O1 .7971 -.0314 .46503 .03641
	O2 .8610 .0390 .2875 .04115
	O3 .6898 .1115 .2741 .04241
	O4 .7458 -.2395 .2757 .03928
	Wat5 -.1132 -.1136 .0696 .06032
	Wat6 .1009 -.0435 .1827 .04348
	Wat7 -.0292 .2945 .0692 .03938
	Wat8 .5198 -.0444 .3216 .04164
	Wat9 .4305 .2767 .4409 .04247
	Wat10 .3519 -.1483 .4408 .04362
	Wat11 .3652 .0064 .1148 .04324
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	Melanterite
	Peterson R C
	The Canadian Mineralogist 41 (2003) 937-949
	The relatinship between Cu content and distortion in the atomic structure
	of melanterite from the Richmond mine, Iron Mountain, California
	Sample: mati-6
	Locality: Richmond mine, Iron Mountain, California
	_database_code_amcsd 0005874
	14.073 6.510 10.954 90 105.62 90 P2_1/c
	atom x y z occ Uiso
	Fe1 0 0 0 .9654
	Zn1 0 0 0 .0346
	Cu2 .5 0 .5 .2030
	Zn2 .5 0 .5 .7970
	S .7729 -.0298 .3239 .02769
	O1 .7965 -.0299 .4645 .03726
	O2 .8607 .0403 .2866 .04288
	O3 .6895 .1125 .2730 .04211
	O4 .7463 -.2388 .2749 .04054
	Wat5 -.1118 -.1181 .0696 .05959
	Wat6 .1006 -.0439 .1830 .04378
	Wat7 -.0294 .2956 .0685 .04009
	Wat8 .5192 -.0464 .3213 .0407
	Wat9 .4316 .2788 .4415 .04181
	Wat10 .3533 -.1453 .4411 .04206
	Wat11 .3645 .0057 .1156 .04212
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	Melanterite
	Peterson R C
	The Canadian Mineralogist 41 (2003) 937-949
	The relatinship between Cu content and distortion in the atomic structure
	of melanterite from the Richmond mine, Iron Mountain, California
	Sample: mati-7
	Locality: Richmond mine, Iron Mountain, California
	_database_code_amcsd 0005875
	14.100 6.518 10.886 90 105.76 90 P2_1/c
	atom x y z occ Uiso
	Fe1 0 0 0 .7056
	Zn1 0 0 0 .2944
	Cu2 .5 0 .5 .6820
	Zn2 .5 0 .5 .3180
	S .7718 -.0331 .3251 .02924
	O1 .7979 -.0332 .4665 .03814
	O2 .8580 .0388 .2845 .04364
	O3 .6875 .1050 .2754 .04392
	O4 .7462 -.2424 .27493 .04234
	Wat5 -.1119 -.1132 .0698 .0647
	Wat6 .1008 -.0448 .1825 .04593
	Wat7 -.0283 .2960 .0692 .0436
	Wat8 .5186 -.0489 .3238 .04094
	Wat9 .4309 .2683 .4403 .04399
	Wat10 .3491 -.1580 .4407 .04607
	Wat11 .3676 .0088 .1148 .04363
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	Melanterite
	Peterson R C
	The Canadian Mineralogist 41 (2003) 937-949
	The relatinship between Cu content and distortion in the atomic structure
	of melanterite from the Richmond mine, Iron Mountain, California
	Sample: 91rs209c
	Locality: Richmond mine, Iron Mountain, California
	_database_code_amcsd 0005876
	14.066 6.506 10.938 90 105.58 90 P2_1/c
	atom x y z occ Uiso
	Fe1 0 0 0 .6884
	Zn1 0 0 0 .3116
	Cu2 .5 0 .5 .0794
	Zn2 .5 0 .5 .9206
	S .7727 -.0284 .3236 .02792
	O1 .7956 -.0280 .4650 .03756
	O2 .8605 .0418 .2855 .04304
	O3 .6900 .1121 .2720 .04204
	O4 .7464 -.2386 .2748 .04068
	Wat5 -.1112 -.1186 .0701 .06404
	Wat6 .0996 -.0423 .1803 .0443
	Wat7 -.0297 .2933 .0676 .0406
	Wat8 .5199 -.0465 .3210 .04003
	Wat9 .4319 .2819 .4416 .04287
	Wat10 .3546 -.1425 .4413 .04141
	Wat11 .3641 .0052 .1163 .04235
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	Melanterite
	Anderson J L, Peterson R C, Swainson I P
	The Canadian Mineralogist 45 (2007) 457-469
	The atomic structure and hydrogen bonding of deuterated melanterite, FeSO4*7D2O
	Locality: synthetic
	_database_code_amcsd 0006145
	14.0774 6.5039 11.0506 90 105.604 90 P2_1/c
	atom x y z occ Uiso
	Fe1 0 0 0 .006
	Fe2 .5 .5 0 .005
	S .2294 .475 .176 .007
	O1 .2076 .472 .038 .034
	O2 .1415 .537 .215 .015
	O3 .3109 .618 .229 .016
	O4 .2544 .266 .224 .026
	Ow1 .116 .388 .432 .053
	Ow2 .106 .954 .182 .034
	Ow3 .032 .787 .432 .030
	Ow4 .480 .454 .178 .036
	Ow5 .433 .283 .442 .038
	Ow6 .355 .855 .439 .030
	Ow7 .363 .002 .108 .037
	D11 .148 .262 .459 .94 .039
	H11 .148 .262 .459 .06 .039
	D12 .120 .428 .352 .94 .050
	H12 .120 .428 .352 .06 .050
	D22 .117 .816 .206 .94 .041
	H22 .117 .816 .206 .06 .041
	D24 .156 .050 .208 .94 .044
	H24 .156 .050 .208 .06 .044
	D31 .086 .874 .406 .94 .017
	H31 .086 .874 .406 .06 .017
	D32 .981 .882 .382 .94 .038
	H32 .981 .882 .382 .06 .038
	D43 .425 .520 .202 .94 .033
	H43 .425 .520 .202 .06 .033
	D47 .531 .464 .253 .94 .051
	H47 .531 .464 .253 .06 .051
	D54 .377 .286 .368 .94 .040
	H54 .377 .286 .368 .06 .040
	D57 .414 .309 .509 .94 .005
	H57 .414 .309 .509 .06 .005
	D6l .300 .919 .403 .94 .033
	H6l .300 .919 .403 .06 .033
	D63 .334 .774 .368 .94 .050
	H63 .334 .774 .368 .06 .050
	D74 .322 .080 .149 .94 .042
	H74 .322 .080 .149 .06 .042
	D76 .335 .884 .093 .94 .096
	H76 .335 .884 .093 .06 .096
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	Pertlikite
	Ertl A, Dyar M D, Hughes J M, Brandstatter F, Gunter M E, Prem M, Peterson R C
	The Canadian Mineralogist 46 (2008) 661-669
	Pertlikite, a new tetragonal Mg-rich member of the voltaite group from Madeni Zakh, Iran
	Locality: Madeni Zakh, Iran
	_database_code_amcsd 0006190
	19.2080 19.2080 27.2158 90 90 90 *I4_1/acd
	0 -.25 .125
	atom x y z occ Uiso
	S1 .961717 .013192 .881669 .01256
	S2 .855855 .093187 .012190 .01247
	S3 .106330 .130649 .974391 .01271
	Fe1 0 0 0 .01297
	Fe2 .794208 0 3/4 .719 .01341
	Mg2 .794208 0 3/4 .281 .01341
	Mg3 .852518 .147397 .897173 .742 .01346
	Fe3 .852518 .147395 .897173 .258 .01346
	Al 0 .25 .125 .01185
	K .00007 0 3/4 .03164
	O1 .94004 -.05104 .85726 .0293
	O2 .00530 .05430 .84827 .0234
	O3 .89868 .05176 .89558 .0230
	O4 .00262 -.00378 .92639 .0193
	O5 .85269 .13891 .05494 .0290
	O6 .82315 .12712 .96982 .0229
	O7 .81894 .02821 .02480 .0233
	O8 .92949 .07699 .00033 .0190
	O9 .08850 .19804 .99582 .0298
	O10 .08053 .12894 .92374 .0239
	O11 .18249 .12144 .97558 .0245
	O12 .07354 .07388 .00326 .0192
	O13 .94033 .19736 .92101 .0247
	H13A .9744 .1777 .9208 .065
	H13B .9316 .2257 .9413 .073
	O14 .79926 .04325 .68084 .0252
	H14A .8389 .0467 .6716 .079
	H14B .7683 .0688 .6744 .106
	O15 .75947 .10238 .87849 .0248
	H15A .7275 .1120 .8966 .064
	H15B .752 .096 .8505 .103
	Wat1 -.0137 .1927 .17896 .225 .0198
	Wat2 -.0190 .1585 .10342 .222 .0210
	Wat3 -.0759 .2820 .08946 .236 .0227
	Wat4 .0579 .2639 .17991 .221 .0216
	Wat5 .0898 .2685 .10361 .233 .0213
	Wat6 -.0332 .3269 .08894 .228 .0218
	Wat7 0 .25 .1946 .129 .023
	Wat8 -.0697 .3197 .125 .134 .024
	Wat9 .0694 .3194 .125 .133 .023
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	Plumbojarosite
	Basciano L C, Peterson R C
	The Canadian Mineralogist 48 (2010) 651-659
	A crystallographic study of the incomplete solid-solution
	between plumbojarosite and jarosite
	Note Sample G
	Locality: synthetic
	_database_code_amcsd 0006284
	7.3185 7.3185 33.7274 90 90 120 R-3m
	atom x y z occ Uiso
	PbA1 0 0 0 .130 .010
	PbA2 0 0 .5 .547 .039
	KA1 0 0 0 .371 .010
	Fe .1677 .3354 .0830 .022
	S1 0 0 .1549 .006
	S2 0 0 .6546 .041
	O1 0 0 .1987 .027
	O2 .2182 .4364 .0270 .027
	O3 .1226 .1452 -.0725 .027
	O4 0 0 .6981 .027
	O5 .2212 .4424 .5258 .027
	O6 .1312 .2624 .4355 .027
	H1 .141 .282 -.051 .025
	H2 .189 .378 .444 .025
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	(H3O)Fe(SO4)2
	Peterson R C, Valyashko E, Wang R
	The Canadian Mineralogist 47 (2009) 625-634
	The atomic structure of (H3O)Fe3+(SO4)2 and rhomboclase, (H5O2)Fe3+(SO4)2*2H2O
	Locality: synthetic
	_database_code_amcsd 0006291
	4.801 8.271 8.311 70.605 89.959 89.951 P-1
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Fe .7501 .0115 .2467 .014 .005 .032 .009 -.012 .000 -.001
	S1 .2502 .7902 .4797 .014 .011 .019 .011 -.006 .001 .000
	S2 .7502 .7811 .9961 .012 .011 .020 .007 -.006 .000 .000
	O1 .4200 .8648 .3251 .020 .011 .040 .011 -.012 .004 -.004
	O2 -.0392 .8608 .4418 .018 .007 .039 .008 -.009 -.001 -.003
	O3 .3614 .8410 .6200 .022 .015 .048 .008 -.016 -.008 .010
	O4 .2830 .6061 .5314 .038
	O5 .8658 .8609 .1180 .019 .016 .032 .013 -.013 -.003 .003
	O6 .9283 .8346 .8423 .017 .005 .037 .013 -.015 .004 -.002
	O7 .4666 .8395 .9512 .023 .004 .054 .008 -.008 .000 -.001
	O8 .7600 .6020 .0830 .017
	O9H3 .7502 .5031 .7451 .022 .018 .026 .022 -.009 -.001 -.001
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	Rhomboclase
	Peterson R C, Valyashko E, Wang R
	The Canadian Mineralogist 47 (2009) 625-634
	The atomic structure of (H3O)Fe3+(SO4)2 and rhomboclase, (H5O2)Fe3+(SO4)2*2H2O
	Locality: Alcoparrosa, Chile
	_database_code_amcsd 0006292
	9.6870 18.2040 5.4250 90 90 90 Pnma
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Fe 0 0 0 .010 .009 .015 .008 .001 .000 -.001
	S .2353 .0886 .2923 .011 .009 .015 .008 .000 .000 .000
	O1 .3227 .0232 .3417 .014 .011 .017 .014 .001 .003 -.001
	O2 .0930 .0608 .2482 .015 .010 .024 .012 -.005 .002 -.001
	O3 .2870 .1281 .0780 .018 .019 .021 .012 .005 -.005 -.002
	O4 .2272 .1353 .5114 .015 .013 .019 .012 -.005 .000 .002
	Ow1 .4904 .0903 .7262 .015 .013 .021 .012 -.003 .001 -.002
	Ow2 .6334 .25 .5449 .033 .022 .018 .060 0 .010 0
	Ow3a .3850 .25 .6056 .86 .024 .023 .017 .032 0 -.004 0
	Ow3b .391 .25 .480 .14 .024 .023 .017 .032 0 -.004 0
	H1 .428 .0965 .817 .031
	H2 .565 .1015 .787 .039
	H3 .681 .2131 .510 .045
	H4 .337 .2105 .552 .045
	H5 .495 .25 .56 .045
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	MgGa2O4
	Millard R L, Peterson R C, Swainson I P
	Physics and Chemistry of Minerals 27 (2000) 179-193
	Synthetic MgGa2O4-Mg2GeO4 spinel solid solution and beta-Mg3Ga2GeO8:
	chemistry, crystal structures, cation ordering, and comparison to Mg2GeO4 olivine
	Sample: RLM808, quenched from T = 1402 C
	Locality: synthetic
	_database_code_amcsd 0008399
	8.2891 8.2891 8.2891 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ Biso
	MgT .125 .125 .125 .12 .41
	GaT .125 .125 .125 .88 .41
	GaM .5 .5 .5 .56 .27
	MgM .5 .5 .5 .44 .27
	O .2567 .2567 .2567 .50
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	Mg1.1Ga1.8Ge.1O4
	Millard R L, Peterson R C, Swainson I P
	Physics and Chemistry of Minerals 27 (2000) 179-193
	Synthetic MgGa2O4-Mg2GeO4 spinel solid solution and beta-Mg3Ga2GeO8:
	chemistry, crystal structures, cation ordering, and comparison to Mg2GeO4 olivine
	Sample: RLM801, quenched from T = 1402 C
	Locality: synthetic
	_database_code_amcsd 0008400
	8.2984 8.2984 8.2984 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ Biso
	GaT .125 .125 .125 .64 .40
	GeT .125 .125 .125 .10 .40
	MgT .125 .125 .125 .26 .40
	GaM .5 .5 .5 .58 .32
	MgM .5 .5 .5 .42 .32
	O .2571 .2571 .2571 .49
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