Annite
	Redhammer G J, Beran A, Schneider J, Amthauer G, Lottermoser W
	American Mineralogist 85 (2000) 449-465
	Spectroscopic and structural properties of synthetic micas on the
	annite-siderophyllite binary: Synthesis, crystal structure refinement,
	Mossbauer, and infrared spectroscopy
	Sample: A44
	_database_code_amcsd 0002392
	5.3899 9.3367 10.3086 90 100.16 90 C2/m
	atom x y z occ Biso
	SiT .5746 .1664 .2254 .75 1.07
	AlT .5746 .1664 .2254 .25 1.07
	Fe1 0 .5 .5 .9
	Fe2 0 .8333 .5 1.60
	K 0 0 0 .956 3.8
	O1 .8138 .2410 .1777 3.2
	O2 .5457 0 .1676 2.4
	O3 .6373 .1675 .3939 1.5
	O4 .1367 0 .3860 1.9
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	Annite
	Redhammer G J, Beran A, Schneider J, Amthauer G, Lottermoser W
	American Mineralogist 85 (2000) 449-465
	Spectroscopic and structural properties of synthetic micas on the
	annite-siderophyllite binary: Synthesis, crystal structure refinement,
	Mossbauer, and infrared spectroscopy
	Sample: sd12no.10
	_database_code_amcsd 0002393
	5.3944 9.3454 10.3284 90 100.22 90 C2/m
	atom x y z occ Biso
	SiT .5714 .1668 .2258 .718 .6
	AlT .5714 .1668 .2258 .282 .6
	Al1 0 .5 .5 .952 .7
	Fe1 0 .5 .5 .048 .7
	Al2 0 .8333 .5 .036 .97
	Fe2 0 .8333 .5 .958 .97
	K 0 0 0 .99 4.0
	O1 .8085 .2466 .1744 2.5
	O2 .5417 0 .1722 .9
	O3 .6365 .1665 .3940 .9
	O4 .1323 0 .3877 1.4
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	Annite
	Redhammer G J, Beran A, Schneider J, Amthauer G, Lottermoser W
	American Mineralogist 85 (2000) 449-465
	Spectroscopic and structural properties of synthetic micas on the
	annite-siderophyllite binary: Synthesis, crystal structure refinement,
	Mossbauer, and infrared spectroscopy
	Sample: sd37no.10
	_database_code_amcsd 0002394
	5.3812 9.3234 10.2934 90 100.22 90 C2/m
	atom x y z occ Biso
	SiT .5724 .1667 .2260 .665 .77
	AlT .5724 .1667 .2260 .335 .77
	Al1 0 .5 .5 .100 .7
	Fe1 0 .5 .5 .900 .7
	Al2 0 .8323 .5 .114 .97
	Fe2 0 .8323 .5 .890 .97
	K 0 0 0 .964 2.8
	O1 .8201 .2308 .1758 2.3
	O2 .5277 0 .1700 1.2
	O3 .6368 .1678 .3933 1.2
	O4 .1329 0 .3909 1.1
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	Annite
	Redhammer G J, Beran A, Schneider J, Amthauer G, Lottermoser W
	American Mineralogist 85 (2000) 449-465
	Spectroscopic and structural properties of synthetic micas on the
	annite-siderophyllite binary: Synthesis, crystal structure refinement,
	Mossbauer, and infrared spectroscopy
	Sample: sd50no.10
	_database_code_amcsd 0002395
	5.3732 9.3097 10.2807 90 100.24 90 C2/m
	atom x y z occ Biso
	SiT .5720 .1670 .2261 .648 .69
	AlT .5720 .1670 .2261 .352 .69
	Al1 0 .5 .5 .136 .5
	Fe1 0 .5 .5 .864 .5
	Al2 0 .8318 .5 .184 1.08
	Fe2 0 .8318 .5 .852 1.08
	K 0 0 0 .936 2.1
	O1 .8251 .2255 .1759 1.8
	O2 .5216 0 .1711 1.6
	O3 .6370 .1690 .3943 1.3
	O4 .1332 0 .3924 1.6
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	Annite
	Redhammer G J, Beran A, Schneider J, Amthauer G, Lottermoser W
	American Mineralogist 85 (2000) 449-465
	Spectroscopic and structural properties of synthetic micas on the
	annite-siderophyllite binary: Synthesis, crystal structure refinement,
	Mossbauer, and infrared spectroscopy
	Sample: sd62no.10
	_database_code_amcsd 0002396
	5.3635 9.2929 10.2837 90 100.28 90 C2/m
	atom x y z occ Biso
	SiT .5748 .1674 .2269 .608 .99
	AlT .5748 .1674 .2269 .392 .99
	Al1 0 .5 .5 .122 .9
	Fe1 0 .5 .5 .878 .9
	Al2 0 .8327 .5 .231 1.1
	Fe2 0 .8327 .5 .775 1.1
	K 0 0 0 .940 2.4
	O1 .8290 .2237 .1770 2.0
	O2 .5117 0 .1734 1.9
	O3 .6391 .1689 .3950 2.0
	O4 .1310 0 .3926 1.6
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	Annite
	Redhammer G J, Beran A, Schneider J, Amthauer G, Lottermoser W
	American Mineralogist 85 (2000) 449-465
	Spectroscopic and structural properties of synthetic micas on the
	annite-siderophyllite binary: Synthesis, crystal structure refinement,
	Mossbauer, and infrared spectroscopy
	Sample: sd75no.10
	_database_code_amcsd 0002397
	5.3607 9.2874 10.2664 90 100.30 90 C2/m
	atom x y z occ Biso
	SiT .5740 .1665 .2266 .58 .68
	AlT .5740 .1665 .2266 .42 .68
	Al1 0 .5 .5 .864 .8
	Fe1 0 .5 .5 .136 .8
	Al2 0 .8319 .5 .306 .95
	Fe2 0 .8319 .5 .744 .95
	K 0 0 0 .928 1.9
	O1 .8333 .2205 .1768 2.1
	O2 .5069 0 .1740 1.8
	O3 .6384 .1697 .3945 1.9
	O4 .1309 0 .3928 1.4
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	Annite
	Redhammer G J, Beran A, Schneider J, Amthauer G, Lottermoser W
	American Mineralogist 85 (2000) 449-465
	Spectroscopic and structural properties of synthetic micas on the
	annite-siderophyllite binary: Synthesis, crystal structure refinement,
	Mossbauer, and infrared spectroscopy
	Sample: sd87no.10
	_database_code_amcsd 0002398
	5.3582 9.2819 10.2688 90 100.39 90 C2/m
	atom x y z occ Biso
	SiT .5741 .1673 .2271 .57 .73
	AlT .5741 .1673 .2271 .43 .73
	Al1 0 .5 .5 .132 .7
	Fe1 0 .5 .5 .868 .7
	Al2 0 .8327 .5 .334 1.0
	Fe2 0 .8327 .5 .722 1.0
	K 0 0 0 .920 2.0
	O1 .8343 .2190 .1766 2.0
	O2 .5020 0 .1748 2.2
	O3 .6385 .1700 .3958 1.9
	O4 .1289 0 .3928 1.4
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	Annite
	Redhammer G J, Beran A, Schneider J, Amthauer G, Lottermoser W
	American Mineralogist 85 (2000) 449-465
	Spectroscopic and structural properties of synthetic micas on the
	annite-siderophyllite binary: Synthesis, crystal structure refinement,
	Mossbauer, and infrared spectroscopy
	Sample: G-117
	_database_code_amcsd 0002399
	5.377 9.308 10.283 90 100.22 90 C2/m
	atom x y z occ Biso
	SiT .5754 .16681 .22579 .638 .99
	AlT .5754 .16681 .22579 .112 .99
	Al1 0 .5 .5 .87
	Fe1 0 .5 .5 .87
	Al2 0 .83196 .5 .89
	Fe2 0 .83196 .5 .89
	K 0 0 0 .99 2.85
	Na 0 0 0 .01 2.85
	O1 .8260 .2298 .1695 2.01
	O2 .5158 0 .1706 1.93
	O3 .6319 .1679 .3918 1.44
	O4 .1271 0 .3963 1.61
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	Phlogopite
	Redhammer G J, Roth G
	American Mineralogist 87 (2002) 1464-1476
	Single-crystal structure refinements and crystal chemistry of
	synthetic trioctahedral micas KM3(Al,Si)4O10(OH)2, where
	M = Ni, Mg, Co, Fe, Al
	Sample: NiPhl#6 - Ni
	_database_code_amcsd 0002917
	5.3023 9.1804 10.2911 90 99.921 90 C2/m
	atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	AlT .57689 .16663 .23009 .27 .55 0.0045 0.0068 0.0095 0.0001 0.0012 0.0002
	SiT .57689 .16663 .23009 .73 .55 0.0045 0.0068 0.0095 0.0001 0.0012 0.0002
	NiM1 0 .5 .5 .66 0.0061 0.0064 0.0130 0 0.0032 0
	NiM2 0 .83198 .5 .66 0.0057 0.0069 0.0123 0 0.0015 0
	K 0 0 0 2.77 0.0391 0.0375 0.0279 0 0.0040 0
	O1 .83411 .22589 .17263 1.43 0.0136 0.0235 0.0182 -0.0067 0.0051 -0.0035
	O2 .50706 0 .17330 1.48 0.0245 0.0146 0.0160 0 0.0011 0
	O3 .63163 .16634 .39342 .71 0.0080 0.0097 0.0092 -0.0011 0.0011 0.0005
	O4 .13367 0 .39940 .76 0.0064 0.0129 0.0094 0 0.0010 0
	H .103 0 .309 2.35
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	Phlogopite
	Redhammer G J, Roth G
	American Mineralogist 87 (2002) 1464-1476
	Single-crystal structure refinements and crystal chemistry of
	synthetic trioctahedral micas KM3(Al,Si)4O10(OH)2, where
	M = Ni, Mg, Co, Fe, Al
	Sample: Phl#2 - Mg
	_database_code_amcsd 0002918
	5.3158 9.2036 10.3100 90 99.891 90 C2/m
	atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	AlT .57651 .16674 .22952 .27 .63 0.0067 0.0077 0.0094 0.0000 0.0019 -0.0001
	SiT .57651 .16674 .22952 .73 .63 0.0067 0.0077 0.0094 0.0000 0.0019 -0.0001
	MgM1 0 .5 .5 .64 0.0059 0.0074 0.0112 0 0.0018 0
	MgM2 0 .83171 .5 .63 0.0061 0.0069 0.0114 0 0.0024 0
	K 0 0 0 3.54 0.0359 0.0377 0.0224 0 .00382 0
	O1 .83048 .22662 .17165 1.40 0.0171 0.0225 0.0143 -0.0057 0.0044 -0.0027
	O2 .50995 0 .17174 1.38 0.0241 0.0130 0.0141 0 0.0004 0
	O3 .63068 .16673 .39172 .76 0.0092 0.0095 0.0104 -0.0003 0.0021 0.0002
	O4 .13248 0 .39880 .83 0.0090 0.0124 0.0101 0 0.0012 0
	H .111 0 .318 2.35
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	Phlogopite
	Redhammer G J, Roth G
	American Mineralogist 87 (2002) 1464-1476
	Single-crystal structure refinements and crystal chemistry of
	synthetic trioctahedral micas KM3(Al,Si)4O10(OH)2, where
	M = Ni, Mg, Co, Fe, Al
	Sample: Coni1.8#2 - Co
	_database_code_amcsd 0002919
	5.3225 9.2195 10.3125 90 99.949 90 C2/m
	atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	AlT .57637 .16674 .22848 .27 .64 0.0073 0.0076 0.0094 -0.0001 0.0011 0.0001
	SiT .57637 .16674 .22848 .73 .64 0.0073 0.0076 0.0094 -0.0001 0.0011 0.0001
	CoM1 0 .5 .5 .56 .69 0.0067 0.0060 0.0133 0 0.0021 0
	NiM1 0 .5 .5 .44 .69 0.0067 0.0060 0.0133 0 0.0021 0
	CoM2 0 .83190 .5 .56 .70 0.0069 0.0063 0.0132 0 0.0017 0
	NiM2 0 .83190 .5 .44 .70 0.0069 0.0063 0.0132 0 0.0017 0
	K 0 0 0 2.62 0.0359 0.0354 0.0280 0 0.0045 0
	O1 .82794 .22891 .17079 1.68 0.0181 0.0279 0.0187 -0.0092 0.0053 -0.0041
	O2 .51410 0 .17080 1.69 0.0282 0.0136 0.0206 0 -.0009 0
	O3 .63136 .16663 .39129 .82 0.0134 0.0105 0.0074 -0.0004 0.0028 0.0001
	O4 .13362 0 .39809 .87 0.0126 0.0131 0.0077 0 0.0022 0
	H .111 0 .288 2.35
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	Phlogopite
	Redhammer G J, Roth G
	American Mineralogist 87 (2002) 1464-1476
	Single-crystal structure refinements and crystal chemistry of
	synthetic trioctahedral micas KM3(Al,Si)4O10(OH)2, where
	M = Ni, Mg, Co, Fe, Al
	Sample: CoAn#2 - Co
	Note: Uij's for K altered by Redhammer, 7 Nov, 2002
	_database_code_amcsd 0002920
	5.3380 9.2465 10.3410 90 99.977 90 C2/m
	atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	AlT .57610 .16668 .22778 .27 .83 0.0075 0.0074 0.0171 0.0001 0.0033 0.0003
	SiT .57610 .16668 .22778 .73 .83 0.0075 0.0074 0.0171 0.0001 0.0033 0.0003
	CoM1 0 .5 .5 .91 0.0085 0.0071 0.0195 0 0.0033 0
	CoM2 0 .83147 .5 .95 0.0082 0.0076 0.0202 0 0.0034 0
	K 0 0 0 2.87 0.0395 0.0373 0.0307 0 0.0050 0
	O1 .82584 .23063 .17050 1.61 0.0186 0.0251 0.0215 -0.0062 0.0048 -0.0020
	O2 .51819 0 .17061 1.62 0.0282 0.0129 0.0207 0 0.0015 0
	O3 .62987 .16676 .39048 .98 0.0092 0.0091 0.0187 0.0004 0.0019 0.0009
	O4 .13211 0 .39758 1.06 0.0092 0.0107 0.0183 0 0.0016 0
	H .116 0 .303 2.35
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	Phlogopite
	Redhammer G J, Roth G
	American Mineralogist 87 (2002) 1464-1476
	Single-crystal structure refinements and crystal chemistry of
	synthetic trioctahedral micas KM3(Al,Si)4O10(OH)2, where
	M = Ni, Mg, Co, Fe, Al
	Sample: A20#2
	_database_code_amcsd 0002921
	5.3257 9.2254 10.3070 90 99.926 90 C2/m
	atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	AlT .57616 .16672 .22873 .27 .86 0.0086 0.0095 0.0155 -0.0003 0.0046 0.0001
	SiT .57616 .16672 .22873 .73 .86 0.0086 0.0095 0.0155 -0.0003 0.0046 0.0001
	MgM1 0 .5 .5 .88 .79 0.0080 0.0075 0.0155 0 0.0051 0
	FeM1 0 .5 .5 .12 .79 0.0080 0.0075 0.0155 0 0.0051 0
	MgM2 0 .83241 .5 .89 .75 0.0072 0.0077 0.0145 0 0.0040 0
	FeM2 0 .83241 .5 .11 .75 0.0072 0.0077 0.0145 0 0.0040 0
	K 0 0 0 2.91 0.0387 0.0398 0.0328 0 0.0085 0
	O1 .83088 .22634 .17177 1.80 0.0198 0.0275 0.0227 -0.0066 0.0076 -0.0036
	O2 .50953 0 .17173 1.87 0.0295 0.0192 0.0219 0 0.0026 0
	O3 .62998 .16682 .39159 .85 0.0108 0.0100 0.0121 0.0002 0.0043 -0.0007
	O4 .13254 0 .39761 .95 0.0113 0.0111 0.0141 0 0.0039 0
	H .130 0 .313 2.35
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	Phlogopite
	Redhammer G J, Roth G
	American Mineralogist 87 (2002) 1464-1476
	Single-crystal structure refinements and crystal chemistry of
	synthetic trioctahedral micas KM3(Al,Si)4O10(OH)2, where
	M = Ni, Mg, Co, Fe, Al
	Sample: A20#4
	_database_code_amcsd 0002922
	5.3245 9.2245 10.3050 90 99.927 90 C2/m
	atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	AlT .57621 .16690 .22879 .27 .65 0.0056 0.0093 0.0099 -0.0001 0.0018 -0.0001
	SiT .57621 .16690 .22879 .73 .65 0.0056 0.0093 0.0099 -0.0001 0.0018 -0.0001
	MgM1 0 .5 .5 .90 .57 0.0046 0.0075 0.0102 0 0.0030 0
	FeM1 0 .5 .5 .10 .57 0.0046 0.0075 0.0102 0 0.0030 0
	MgM2 0 .83248 .5 .90 .57 0.0033 0.0089 0.0096 0 0.0018 0
	FeM2 0 .83248 .5 .10 .57 0.0033 0.0089 0.0096 0 0.0018 0
	K 0 0 0 2.62 0.0350 0.0385 0.0260 0 0.0048 0
	O1 .82982 .22710 .17142 1.41 0.0161 0.0251 0.0133 -0.0053 0.0045 -0.0025
	O2 .51106 0 .17167 1.46 0.0219 0.0163 0.0166 0 0.0015 0
	O3 .63084 .16673 .39157 .74 0.0076 0.0119 0.0088 0.0001 0.0024 -0.0013
	O4 .13284 0 .39918 .97 0.0125 0.0152 0.0088 0 0.0003 0
	H .093 0 .325 2.35
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	Phlogopite
	Redhammer G J, Roth G
	American Mineralogist 87 (2002) 1464-1476
	Single-crystal structure refinements and crystal chemistry of
	synthetic trioctahedral micas KM3(Al,Si)4O10(OH)2, where
	M = Ni, Mg, Co, Fe, Al
	Sample: A40#7
	_database_code_amcsd 0002923
	5.3295 9.2309 10.3074 90 99.944 90 C2/m
	atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	AlT .57604 .16684 .22793 .26 1.16 0.0111 0.0091 0.0242 0.0001 0.0044 -0.0006
	SiT .57604 .16684 .22793 .74 1.16 0.0111 0.0091 0.0242 0.0001 0.0044 -0.0006
	MgM1 0 .5 .5 .82 1.07 0.0109 0.0117 0.0181 0 0.0025 0
	FeM1 0 .5 .5 .18 1.07 0.0109 0.0117 0.0181 0 0.0025 0
	MgM2 0 .83302 .5 .82 1.07 0.0114 0.0115 0.0182 0 0.0034 0
	FeM2 0 .83302 .5 .18 1.07 0.0114 0.0115 0.0182 0 0.0034 0
	K 0 0 0 3.44 0.0458 0.0440 0.0409 0 0.0077 0
	O1 .82811 .22858 .17137 2.36 0.0264 0.0341 0.0303 -0.0079 0.0081 -0.0047
	O2 .51447 0 .17135 2.34 0.0364 0.0231 0.0279 0 0.0009 0
	O3 .63030 .16747 .39006 1.23 0.0113 0.0074 0.0282 -0.0027 0.0041 -0.0010
	O4 .13240 0 .39630 1.39 0.0139 0.0113 0.0272 0 0.0025 0
	H .121 0 .315 2.35
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	Phlogopite
	Redhammer G J, Roth G
	American Mineralogist 87 (2002) 1464-1476
	Single-crystal structure refinements and crystal chemistry of
	synthetic trioctahedral micas KM3(Al,Si)4O10(OH)2, where
	M = Ni, Mg, Co, Fe, Al
	Sample: A60#2
	_database_code_amcsd 0002924
	5.3384 9.2465 10.3061 90 99.951 90 C2/m
	atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	AlT .57557 .16681 .22750 .27 .58 0.0056 0.0061 0.0103 -0.0002 0.0016 -0.0003
	SiT .57557 .16681 .22750 .73 .58 0.0056 0.0061 0.0103 -0.0002 0.0016 -0.0003
	MgM1 0 .5 .5 .81 .70 0.0076 0.0066 0.0129 0 0.0037 0
	FeM1 0 .5 .5 .19 .70 0.0076 0.0066 0.0129 0 0.0037 0
	MgM2 0 .83449 .5 .83 .63 0.0050 0.0073 0.0113 0 0.0007 0
	FeM2 0 .83449 .5 .17 .63 0.0050 0.0073 0.0113 0 0.0007 0
	K 0 0 0 2.56 0.0341 0.0339 0.0289 0 0.0049 0
	O1 .82792 .22795 .17027 1.50 0.0174 0.0247 0.0155 -0.0026 0.0043 -0.0067
	O2 .51183 0 .17102 1.56 0.0270 0.0133 0.0173 0 -0.0012 0
	O3 .63012 .16712 .39127 .71 0.0083 0.0086 0.0101 -0.0002 0.0013 -0.0001
	O4 .13300 0 .39854 .76 0.0086 0.0104 0.0100 0 0.0025 0
	H .116 0 .296 2.35
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	Phlogopite
	Redhammer G J, Roth G
	American Mineralogist 87 (2002) 1464-1476
	Single-crystal structure refinements and crystal chemistry of
	synthetic trioctahedral micas KM3(Al,Si)4O10(OH)2, where
	M = Ni, Mg, Co, Fe, Al
	Sample: Mga1.2#1
	_database_code_amcsd 0002925
	5.3409 9.2536 10.3087 90 99.962 90 C2/m
	atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	AlT .57634 .16674 .22776 .26 1.31 0.0136 0.0119 0.0255 0.0005 0.0065 0.0014
	SiT .57634 .16674 .22776 .74 1.31 0.0136 0.0119 0.0255 0.0005 0.0065 0.0014
	MgM1 0 .5 .5 .74 1.26 0.0106 0.0112 0.0271 0 0.0067 0
	FeM1 0 .5 .5 .26 1.26 0.0106 0.0112 0.0271 0 0.0067 0
	MgM2 0 .83387 .5 .74 1.23 0.0140 0.0099 0.0239 0 0.0059 0
	FeM2 0 .83387 .5 .26 1.23 0.0140 0.0099 0.0239 0 0.0059 0
	K 0 0 0 3.67 0.0490 0.0494 0.041 0 0.0077 0
	O1 .82827 .22845 .17024 2.28 0.0330 0.0289 0.0255 -0.0009 0.0075 -0.0056
	O2 .51402 0 .17123 2.36 0.0346 0.0184 0.0352 0 0.0019 0
	O3 .63027 .16727 .38943 1.34 0.0143 0.0136 0.0239 0.0013 0.0056 0.0035
	O4 .13309 0 .39728 1.64 0.0127 0.0109 0.0397 0 0.0078 0
	H .125 0 .309 2.35
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	Phlogopite
	Redhammer G J, Roth G
	American Mineralogist 87 (2002) 1464-1476
	Single-crystal structure refinements and crystal chemistry of
	synthetic trioctahedral micas KM3(Al,Si)4O10(OH)2, where
	M = Ni, Mg, Co, Fe, Al
	Sample: Mga1.6#4
	_database_code_amcsd 0002926
	5.3257 9.2241 10.3056 90 99.932 90 C2/m
	atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	AlT .57576 .16683 .22793 .26 .58 0.0063 0.0062 0.0094 -0.0001 0.0012 0.0001
	SiT .57576 .16683 .22793 .74 .58 0.0063 0.0062 0.0094 -0.0001 0.0012 0.0001
	MgM1 0 .5 .5 .90 .56 0.0055 0.0054 0.0105 0 0.0025 0
	FeM1 0 .5 .5 .10 .56 0.0055 0.0054 0.0105 0 0.0025 0
	MgM2 0 .83388 .5 .90 .56 0.0048 0.0058 0.0105 0 0.0007 0
	FeM2 0 .83388 .5 .10 .56 0.0048 0.0058 0.0105 0 0.0007 0
	K 0 0 0 2.59 0.0350 0.0354 0.0275 0 0.0038 0
	O1 .82878 .22745 .17055 1.50 0.0180 0.0249 0.0145 -0.0030 0.0038 -0.0059
	O2 .51118 0 .17082 1.52 0.0263 0.0144 0.0160 0 0.0007 0
	O3 .63032 .16706 .39130 .73 0.0079 0.0086 0.0110 0.0003 0.0016 0.0002
	O4 .13321 0 .39910 .80 0.0095 0.0118 0.0086 0 0.0002 0
	H .113 0 .328 2.35
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	Siderophyllite
	Redhammer G J, Roth G
	American Mineralogist 87 (2002) 1464-1476
	Single-crystal structure refinements and crystal chemistry of
	synthetic trioctahedral micas KM3(Al,Si)4O10(OH)2, where
	M = Ni, Mg, Co, Fe, Al
	Sample: Sd87#4
	_database_code_amcsd 0002927
	5.3649 9.2892 10.2698 90 100.242 90 C2/m
	atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	AlT .57595 .16683 .22658 .43 .58 0.0072 0.0069 0.0078 -0.0004 0.0011 -0.0004
	SiT .57595 .16683 .22658 .57 .58 0.0072 0.0069 0.0078 -0.0004 0.0011 -0.0004
	FeM1 0 .5 .5 .80 .50 0.0055 0.0046 0.0093 0 0.0019 0
	AlM1 0 .5 .5 .20 .50 0.0055 0.0046 0.0093 0 0.0019 0
	FeM2 0 .83139 .5 .79 .49 0.0046 0.0049 0.0091 0 0.0011 0
	AlM2 0 .83139 .5 .31 .49 0.0046 0.0049 0.0091 0 0.0011 0
	K 0 0 0 2.14 0.0305 0.0298 0.0204 0 0.0028 0
	O1 .83672 .22050 .17265 1.52 0.0175 0.0223 0.0184 -0.0018 0.0044 -0.0049
	O2 .49960 0 .17334 1.51 0.0234 0.0146 0.0176 0 -.0012 0
	O3 .63333 .16776 .39449 1.17 0.0175 0.0170 0.0095 0.0003 0.0012 0.0004
	O4 .12691 0 .39857 1.39 0.0170 0.0256 0.0099 0 0.0010 0
	H .100 0 .301 2.35
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	Phlogopite
	Redhammer G J, Roth G
	American Mineralogist 87 (2002) 1464-1476
	Single-crystal structure refinements and crystal chemistry of
	synthetic trioctahedral micas KM3(Al,Si)4O10(OH)2, where
	M = Ni, Mg, Co, Fe, Al
	Sample: GaPhl#1 - Ga
	_database_code_amcsd 0002928
	5.3214 9.2140 10.3896 90 99.717 90 C2/m
	atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	SiT .57612 .16673 .22866 .75 .53 0.0066 0.0073 0.0065 -0.0001 0.0015 0.0001
	GaT .57612 .16673 .22866 .25 .53 0.0066 0.0073 0.0065 -0.0001 0.0015 0.0001
	MgM1 0 .5 .5 .34 0.0033 0.0047 0.0053 0 0.0015 0
	MgM2 0 .83269 .5 .35 0.0031 0.0039 0.0062 0 0.0013 0
	K 0 0 0 2.14 0.0315 0.0325 0.0170 0 0.0026 0
	O1 .83456 .22253 .17097 1.70 0.0211 0.0284 0.0152 -0.0015 0.0034 -0.0048
	O2 .50088 0 .17107 1.73 0.0284 0.0207 0.0157 0 0.0013 0
	O3 .63028 .16729 .39206 1.73 0.0063 0.0076 0.0108 -0.0005 0.0029 -0.0001
	O4 .13357 0 .39915 .64 0.0072 0.0096 0.0074 0 0.0006 0
	H .105 0 .325 2.35
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	Annite
	Redhammer G J, Roth G
	American Mineralogist 87 (2002) 1464-1476
	Single-crystal structure refinements and crystal chemistry of
	synthetic trioctahedral micas KM3(Al,Si)4O10(OH)2, where
	M = Ni, Mg, Co, Fe, Al
	Sample: Ann#1
	_database_code_amcsd 0002929
	5.4059 9.3639 10.3235 90 100.200 90 C2/m
	atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	SiT .57218 .16660 .22473 .71 .85 0.0105 0.0097 0.0118 -0.0001 0.0012 0.0002
	AlT .57218 .16660 .22473 .25 .85 0.0105 0.0097 0.0118 -0.0001 0.0012 0.0002
	FeT .57218 .16660 .22473 .04 .85 0.0105 0.0097 0.0118 -0.0001 0.0012 0.0002
	MgM1 0 .5 .5 .02 .86 0.0104 0.0087 0.0138 0 0.0025 0
	FeM1 0 .5 .5 .84 .86 0.0104 0.0087 0.0138 0 0.0025 0
	MnM1 0 .5 .5 .06 .86 0.0104 0.0087 0.0138 0 0.0025 0
	TiM1 0 .5 .5 .03 .86 0.0104 0.0087 0.0138 0 0.0025 0
	MgM2 0 .83209 .5 .02 .86 0.0094 0.0095 0.0136 0 0.0009 0
	FeM2 0 .83209 .5 .84 .86 0.0094 0.0095 0.0136 0 0.0009 0
	MnM2 0 .83209 .5 .06 .86 0.0094 0.0095 0.0136 0 0.0009 0
	TiM2 0 .83209 .5 .03 .86 0.0094 0.0095 0.0136 0 0.0009 0
	K 0 0 0 .93 3.12 0.0420 0.0428 0.0317 0 0.0015 0
	Na 0 0 0 .07 3.12 0.0420 0.0428 0.0317 0 0.0015 0
	O1 .80853 .24357 .16801 2.31 0.0290 0.0395 0.0190 -0.0022 0.0040 -0.0095
	O2 .53927 0 .16774 2.29 0.0417 0.0228 0.0208 0 0.0013 0
	O3 .62887 .16638 .38846 1.16 0.0143 0.0147 0.0154 -0.0001 0.0027 -0.0011
	F4 .12753 0 .39288 .07 1.31 0.0159 0.0142 0.0203 0 0.0046 0
	O4 .12753 0 .39288 .93 1.31 0.0159 0.0142 0.0203 0 0.0046 0
	H .108 0 .314 .92 2.35
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	Annite
	Redhammer G J, Roth G
	American Mineralogist 87 (2002) 1464-1476
	Single-crystal structure refinements and crystal chemistry of
	synthetic trioctahedral micas KM3(Al,Si)4O10(OH)2, where
	M = Ni, Mg, Co, Fe, Al
	Sample: G-117
	_database_code_amcsd 0002930
	5.3741 9.3083 10.2829 90 100.220 90 C2/m
	atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	AlT .57540 .16681 .22577 .36 .97 0.0109 0.0108 0.0154 -0.0002 0.0029 -0.0006
	SiT .57540 .16681 .22577 .64 .97 0.0109 0.0108 0.0154 -0.0002 0.0029 -0.0006
	MgM1 0 .5 .5 .04 .82 0.0094 0.0078 0.0144 0 0.0035 0
	FeM1 0 .5 .5 .79 .82 0.0094 0.0078 0.0144 0 0.0035 0
	AlM1 0 .5 .5 .09 .82 0.0094 0.0078 0.0144 0 0.0035 0
	MnM1 0 .5 .5 .01 .82 0.0094 0.0078 0.0144 0 0.0035 0
	TiM1 0 .5 .5 .01 .82 0.0094 0.0078 0.0144 0 0.0035 0
	MgM2 0 .83199 .5 .04 .83 0.0086 0.0096 0.0133 0 0.0018 0
	FeM2 0 .83199 .5 .79 .83 0.0086 0.0096 0.0133 0 0.0018 0
	AlM2 0 .83199 .5 .09 .83 0.0086 0.0096 0.0133 0 0.0018 0
	MnM2 0 .83199 .5 .01 .83 0.0086 0.0096 0.0133 0 0.0018 0
	TiM2 0 .83199 .5 .01 .83 0.0086 0.0096 0.0133 0 0.0018 0
	K 0 0 0 2.89 0.0367 0.0379 0.0354 0 0.0067 0
	O1 .82658 .22975 .16961 1.95 0.0213 0.0289 0.0246 -0.0036 0.0062 -0.0073
	O2 .51517 0 .17068 1.85 0.0307 0.0145 0.0240 0 0.0017 0
	O3 .63165 .16790 .39203 1.42 0.0189 0.0174 0.0171 0.0004 0.0022 -0.0006
	F4 .12709 0 .39672 .02 1.52 0.0178 0.0222 0.0172 0 0.0018 0
	O4 .12709 0 .39672 .98 1.52 0.0178 0.0222 0.0172 0 0.0018 0
	H .117 0 .305 .95 2.35
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	Siderophyllite
	Redhammer G J, Roth G
	American Mineralogist 87 (2002) 1464-1476
	Single-crystal structure refinements and crystal chemistry of
	synthetic trioctahedral micas KM3(Al,Si)4O10(OH)2, where
	M = Ni, Mg, Co, Fe, Al
	Sample: Sdp#3
	_database_code_amcsd 0002931
	5.3710 9.3020 10.2560 90 100.250 90 C2/m
	atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	AlT .57587 .16692 .22617 .36 1.07 0.0112 0.0133 0.0168 -0.0001 0.0042 -0.0001
	SiT .57587 .16692 .22617 .62 1.07 0.0112 0.0133 0.0168 -0.0001 0.0042 -0.0001
	FeT .57587 .16692 .22617 .02 1.07 0.0112 0.0133 0.0168 -0.0001 0.0042 -0.0001
	MgM1 0 .5 .5 .02 1.02 0.0101 0.0111 0.0183 0 0.0046 0
	FeM1 0 .5 .5 .68 1.02 0.0101 0.0111 0.0183 0 0.0046 0
	AlM1 0 .5 .5 .22 1.02 0.0101 0.0111 0.0183 0 0.0046 0
	MnM1 0 .5 .5 .04 1.02 0.0101 0.0111 0.0183 0 0.0046 0
	TiM1 0 .5 .5 .01 1.02 0.0101 0.0111 0.0183 0 0.0046 0
	MgM2 0 .83133 .5 .02 1.06 0.0097 0.0123 0.0186 0 0.0039 0
	FeM2 0 .83133 .5 .68 1.06 0.0097 0.0123 0.0186 0 0.0039 0
	AlM2 0 .83133 .5 .22 1.06 0.0097 0.0123 0.0186 0 0.0039 0
	MnM2 0 .83133 .5 .04 1.06 0.0097 0.0123 0.0186 0 0.0039 0
	TiM2 0 .83133 .5 .01 1.06 0.0097 0.0123 0.0186 0 0.0039 0
	K 0 0 0 .89 2.82 0.0367 0.0403 0.0302 0 0.0059 0
	Na 0 0 0 .04 2.82 0.0367 0.0403 0.0302 0 0.0059 0
	O1 .82850 .22801 .17015 1.93 0.0219 0.0292 0.0232 -0.0030 0.0072 -0.0062
	O2 .51258 0 .17127 1.93 0.0272 0.0205 0.0242 0 0.0009 0
	O3 .63295 .16808 .39273 1.59 0.0211 0.0190 0.0205 0.0005 0.0046 -0.0007
	F4 .12562 0 .39761 .05 1.86 0.0184 0.0306 0.0217 0 0.0040 0
	Cl4 .12562 0 .39761 .01 1.86 0.0184 0.0306 0.0217 0 0.0040 0
	O4 .12562 0 .39761 .94 1.86 0.0184 0.0306 0.0217 0 0.0040 0
	H .100 0 .324 .94 2.35
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	Brownmillerite
	Redhammer G J, Tippelt G, Roth G, Amthauer G
	American Mineralogist 89 (2004) 405-420
	Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5:
	Single-crystal X-ray diffraction at 25 deg C and high temperature
	X-ray powder diffraction (25 C <= T <= 1000 C)
	Sample: bx000_1
	_database_code_amcsd 0003425
	5.4268 14.7631 5.5969 90 90 90 Pnma
	atom x y z Uiso
	Ca .4808 .10798 .0227 .0073
	FeM 0 0 0 .0049
	FeT .9461 .25 .93403 .0046
	O1 .2628 .9843 .2370 .0070
	O2 .0240 .1406 .0735 .0087
	O3 .5991 .25 .8741 .0074
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	Brownmillerite
	Redhammer G J, Tippelt G, Roth G, Amthauer G
	American Mineralogist 89 (2004) 405-420
	Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5:
	Single-crystal X-ray diffraction at 25 deg C and high temperature
	X-ray powder diffraction (25 C <= T <= 1000 C)
	Sample: bht005_2
	_database_code_amcsd 0003426
	5.4217 14.7432 5.5960 90 90 90 Pnma
	atom x y z occ Uiso
	Ca .48141 .10802 .02331 .0065
	FeM 0 0 0 .966 .0033
	AlM 0 0 0 .034 .0033
	FeT .94628 .25 .93351 .920 .0026
	AlT .94628 .25 .93351 .080 .0026
	O1 .2622 .98432 .2375 .0062
	O2 .0236 .14090 .0723 .0082
	O3 .5992 .25 .8736 .0063
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	Brownmillerite
	Redhammer G J, Tippelt G, Roth G, Amthauer G
	American Mineralogist 89 (2004) 405-420
	Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5:
	Single-crystal X-ray diffraction at 25 deg C and high temperature
	X-ray powder diffraction (25 C <= T <= 1000 C)
	Sample: bht015_1
	_database_code_amcsd 0003427
	5.4140 14.7163 5.5947 90 90 90 Pnma
	atom x y z occ Uiso
	Ca .48243 .10813 .02388 .0068
	FeM 0 0 0 .952 .0036
	AlM 0 0 0 .048 .0036
	FeT .94682 .25 .93280 .844 .0032
	AlT .94682 .25 .93280 .156 .0032
	O1 .2610 .98458 .2386 .0063
	O2 .0232 .1416 .0719 .0087
	O3 .6007 .25 .8720 .0070
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	Brownmillerite
	Redhammer G J, Tippelt G, Roth G, Amthauer G
	American Mineralogist 89 (2004) 405-420
	Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5:
	Single-crystal X-ray diffraction at 25 deg C and high temperature
	X-ray powder diffraction (25 C <= T <= 1000 C)
	Sample: bht025_2
	_database_code_amcsd 0003428
	5.4071 14.6949 5.5941 90 90 90 Pnma
	atom x y z occ Uiso
	Ca .4832 .10819 .02402 .0074
	FeM 0 0 0 .964 .0050
	AlM 0 0 0 .036 .0050
	FeT .9472 .25 .9325 .760 .0031
	AlT .9472 .25 .9325 .240 .0031
	O1 .2604 .9847 .2394 .0062
	O2 .0223 .1415 .0719 .0092
	O3 .6026 .25 .8711 .0072
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	Brownmillerite
	Redhammer G J, Tippelt G, Roth G, Amthauer G
	American Mineralogist 89 (2004) 405-420
	Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5:
	Single-crystal X-ray diffraction at 25 deg C and high temperature
	X-ray powder diffraction (25 C <= T <= 1000 C)
	Sample: bht030_3
	_database_code_amcsd 0003429
	5.4027 14.6779 5.5923 90 90 90 Pnma
	atom x y z occ Uiso
	Ca .48378 .10821 .02456 .0089
	FeM 0 0 0 .932 .0060
	AlM 0 0 0 .068 .0060
	FeT .94757 .25 .93200 .703 .0046
	AlT .94757 .25 .93200 .297 .0046
	O1 .2596 .9849 .2404 .0084
	O2 .0227 .1419 .0719 .0109
	O3 .6034 .25 .8698 .0099
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	Brownmillerite
	Redhammer G J, Tippelt G, Roth G, Amthauer G
	American Mineralogist 89 (2004) 405-420
	Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5:
	Single-crystal X-ray diffraction at 25 deg C and high temperature
	X-ray powder diffraction (25 C <= T <= 1000 C)
	Sample: bht035_1
	_database_code_amcsd 0003430
	5.3986 14.6631 5.5910 90 90 90 Pnma
	atom x y z occ Uiso
	Ca .48454 .10834 .02498 .0079
	FeM 0 0 0 .906 .0048
	AlM 0 0 0 .094 .0048
	FeT .94803 .25 .93142 .686 .0041
	AlT .94803 .25 .93142 .314 .0041
	O1 .2589 .98498 .2412 .0077
	O2 .0220 .14226 .0713 .0101
	O3 .6045 .25 .8687 .0088
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	Brownmillerite
	Redhammer G J, Tippelt G, Roth G, Amthauer G
	American Mineralogist 89 (2004) 405-420
	Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5:
	Single-crystal X-ray diffraction at 25 deg C and high temperature
	X-ray powder diffraction (25 C <= T <= 1000 C)
	Sample: bht040_2
	_database_code_amcsd 0003431
	5.3936 14.6476 5.5899 90 90 90 Pnma
	atom x y z occ Uiso
	Ca .48477 .10835 .02493 .0077
	FeM 0 0 0 .920 .0048
	AlM 0 0 0 .080 .0048
	FeT .94805 .25 .93132 .639 .0038
	AlT .94805 .25 .93132 .361 .0038
	O1 .2589 .98509 .2411 .0078
	O2 .0215 .1422 .0713 .0101
	O3 .6052 .25 .8686 .0087
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	Brownmillerite
	Redhammer G J, Tippelt G, Roth G, Amthauer G
	American Mineralogist 89 (2004) 405-420
	Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5:
	Single-crystal X-ray diffraction at 25 deg C and high temperature
	X-ray powder diffraction (25 C <= T <= 1000 C)
	Sample: bf80i_2
	_database_code_amcsd 0003432
	5.3876 14.6302 5.5877 90 90 90 Pnma
	atom x y z occ Uiso
	Ca .48559 .10864 .02569 .0081
	FeM 0 0 0 .880 .0048
	AlM 0 0 0 .120 .0048
	FeT .9490 .25 .9308 .660 .0049
	AlT .9490 .25 .9308 .340 .0049
	O1 .2579 .9852 .2423 .0080
	O2 .0206 .1427 .0707 .0101
	O3 .6056 .25 .8683 .0094
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	Brownmillerite
	Redhammer G J, Tippelt G, Roth G, Amthauer G
	American Mineralogist 89 (2004) 405-420
	Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5:
	Single-crystal X-ray diffraction at 25 deg C and high temperature
	X-ray powder diffraction (25 C <= T <= 1000 C)
	Sample: bht55_1
	_database_code_amcsd 0003433
	5.3808 14.6131 5.5911 90 90 90 I2mb
	atom x y z occ Uiso
	Ca .49099 .10817 .02643 .0064
	FeM .00101 0 0 .862 .0032
	AlM .00101 0 0 .138 .0032
	FeT .9526 .25 .9299 .586 .0027
	AlT .9526 .25 .9299 .414 .0027
	O1 .2500 .9858 .2532 .0061
	O2 .0247 .1427 .0699 .0089
	O3 .6097 .25 .8685 .0074
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	Brownmillerite
	Redhammer G J, Tippelt G, Roth G, Amthauer G
	American Mineralogist 89 (2004) 405-420
	Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5:
	Single-crystal X-ray diffraction at 25 deg C and high temperature
	X-ray powder diffraction (25 C <= T <= 1000 C)
	Sample: bht50_2
	_database_code_amcsd 0003434
	5.3832 14.6214 5.5916 90 90 90 I2mb
	atom x y z occ Uiso
	Ca .4912 .10820 .02655 .0063
	FeM .0011 0 0 .849 .0030
	AlM .0011 0 0 .151 .0030
	FeT .9523 .25 .9300 .561 .0023
	AlT .9523 .25 .9300 .439 .0023
	O1 .2494 .98593 .2531 .0060
	O2 .0238 .1426 .0697 .0085
	O3 .6102 .25 .8677 .0072
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Brownmillerite
	Redhammer G J, Tippelt G, Roth G, Amthauer G
	American Mineralogist 89 (2004) 405-420
	Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5:
	Single-crystal X-ray diffraction at 25 deg C and high temperature
	X-ray powder diffraction (25 C <= T <= 1000 C)
	Sample: bht070_1
	_database_code_amcsd 0003435
	5.3714 14.5805 5.5847 90 90 90 I2mb
	atom x y z occ Uiso
	Ca .4911 .1083 .0265 .0066
	FeM .0006 0 0 .851 .0032
	AlM .0006 0 0 .149 .0032
	FeT .9528 .25 .9296 .486 .0016
	AlT .9528 .25 .9296 .514 .0016
	O1 .2501 .9860 .2530 .0064
	O2 .0240 .1429 .0697 .0097
	O3 .6106 .25 .8652 .0084
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	Brownmillerite
	Redhammer G J, Tippelt G, Roth G, Amthauer G
	American Mineralogist 89 (2004) 405-420
	Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5:
	Single-crystal X-ray diffraction at 25 deg C and high temperature
	X-ray powder diffraction (25 C <= T <= 1000 C)
	Sample: bht120_6
	_database_code_amcsd 0003436
	5.3569 14.5407 5.5735 90 90 90 I2mb
	atom x y z occ Uiso
	Ca .49115 .10854 .02705 .0076
	FeM .0006 0 0 .791 .0047
	AlM .0006 0 0 .209 .0047
	FeT .9528 .25 .92900 .420 .0043
	AlT .9528 .25 .92900 .580 .0043
	O1 .2494 .98611 .2530 .0074
	O2 .0228 .14334 .0691 .0101
	O3 .6135 .25 .8640 .0083
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	Brownmillerite
	Redhammer G J, Tippelt G, Roth G, Amthauer G
	American Mineralogist 89 (2004) 405-420
	Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5:
	Single-crystal X-ray diffraction at 25 deg C and high temperature
	X-ray powder diffraction (25 C <= T <= 1000 C)
	Sample: bht095_2
	_database_code_amcsd 0003437
	5.3510 14.5256 5.5685 90 90 90 I2mb
	atom x y z occ Uiso
	Ca .4913 .10859 .02718 .0062
	FeM .0005 0 0 .783 .0037
	AlM .0005 0 0 .217 .0037
	FeT .9527 .25 .9283 .351 .0027
	AlT .9527 .25 .9283 .649 .0027
	O1 .2494 .9864 .2529 .0062
	O2 .0216 .1433 .0686 .0088
	O3 .6146 .25 .8633 .0070
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	Brownmillerite
	Redhammer G J, Tippelt G, Roth G, Amthauer G
	American Mineralogist 89 (2004) 405-420
	Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5:
	Single-crystal X-ray diffraction at 25 deg C and high temperature
	X-ray powder diffraction (25 C <= T <= 1000 C)
	Sample: bht100_2
	_database_code_amcsd 0003438
	5.3469 14.5149 5.5640 90 90 90 I2mb
	atom x y z occ Uiso
	Ca .49141 .10855 .02702 .0069
	FeM .0006 0 0 .758 .0044
	AlM .0006 0 0 .242 .0044
	FeT .9524 .25 .9283 .333 .0036
	AlT .9524 .25 .9283 .667 .0036
	O1 .2484 .9865 .2528 .0068
	O2 .0215 .1435 .0686 .0093
	O3 .6151 .25 .8620 .0077
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	Brownmillerite
	Redhammer G J, Tippelt G, Roth G, Amthauer G
	American Mineralogist 89 (2004) 405-420
	Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5:
	Single-crystal X-ray diffraction at 25 deg C and high temperature
	X-ray powder diffraction (25 C <= T <= 1000 C)
	Sample: bht110n1
	_database_code_amcsd 0003439
	5.3369 14.4945 5.5548 90 90 90 I2mb
	atom x y z occ Uiso
	Ca .4914 .10852 .02709 .0064
	FeM .0004 0 0 .733 .0036
	AlM .0004 0 0 .267 .0036
	FeT .9526 .25 .9278 .281 .0025
	AlT .9526 .25 .9278 .719 .0025
	O1 .2486 .9864 .2519 .0061
	O2 .0203 .1440 .0674 .0095
	O3 .6172 .25 .8608 .0063
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	Brownmillerite
	Redhammer G J, Tippelt G, Roth G, Amthauer G
	American Mineralogist 89 (2004) 405-420
	Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5:
	Single-crystal X-ray diffraction at 25 deg C and high temperature
	X-ray powder diffraction (25 C <= T <= 1000 C)
	Sample: bht120n2
	_database_code_amcsd 0003440
	5.3269 14.4687 5.5433 90 90 90 I2mb
	atom x y z occ Uiso
	Ca .4914 .10871 .0271 .0073
	FeM .0004 0 0 .684 .0044
	AlM .0004 0 0 .316 .0044
	FeT .9526 .25 .9275 .238 .0030
	AlT .9526 .25 .9275 .762 .0030
	O1 .2481 .9868 .2535 .0072
	O2 .0200 .1437 .0666 .0101
	O3 .6168 .25 .8610 .0082
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	Brownmillerite
	Redhammer G J, Tippelt G, Roth G, Amthauer G
	American Mineralogist 89 (2004) 405-420
	Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5:
	Single-crystal X-ray diffraction at 25 deg C and high temperature
	X-ray powder diffraction (25 C <= T <= 1000 C)
	Sample: bht130_2
	_database_code_amcsd 0003441
	5.3093 14.4534 5.5230 90 90 90 I2mb
	atom x y z occ Uiso
	Ca .4917 .10850 .02695 .0074
	FeM -.0003 0 0 .594 .0049
	AlM -.0003 0 0 .406 .0049
	FeT .9527 .25 .9270 .147 .0031
	AlT .9527 .25 .9270 .853 .0031
	O1 .2485 .9871 .2536 .0073
	O2 .0196 .1438 .0662 .0110
	O3 .6184 .25 .8586 .0070
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	Brownmillerite
	Redhammer G J, Tippelt G, Roth G, Amthauer G
	American Mineralogist 89 (2004) 405-420
	Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5:
	Single-crystal X-ray diffraction at 25 deg C and high temperature
	X-ray powder diffraction (25 C <= T <= 1000 C)
	Sample: bht140_2
	_database_code_amcsd 0003442
	5.2991 14.4434 5.5099 90 90 90 I2mb
	atom x y z occ Uiso
	Ca .4919 .10859 .0266 .0091
	FeM -.0004 0 0 .541 .0071
	AlM -.0004 0 0 .459 .0071
	FeT .9527 .25 .9264 .113 .0054
	AlT .9527 .25 .9264 .887 .0054
	O1 .2481 .9875 .2522 .0090
	O2 .0185 .1438 .0648 .0118
	O3 .6183 .25 .8593 .0093
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	Hedenbergite
	Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W
	American Mineralogist 91 (2006) 1271-1292
	Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer
	spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution
	Locality: synthetic
	Sample: Hd21, T = 298 K
	_database_code_amcsd 0004193
	9.8450 9.0293 5.2450 90 104.775 90 C2/c
	atom x y z Uiso
	Ca2 0 .3003 .25 .0072
	Fe1 0 .9075 .25 .0046
	Si .2878 .0924 .2325 .0036
	O1 .1196 .0901 .1523 .0055
	O2 .3628 .2464 .3232 .0075
	O3 .3501 .0197 .9926 .0061
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	Hedenbergite
	Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W
	American Mineralogist 91 (2006) 1271-1292
	Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer
	spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution
	Locality: synthetic
	Sample: Hd21, T = 200 K
	_database_code_amcsd 0004194
	9.8395 9.0177 5.2425 90 104.724 90 C2/c
	atom x y z Uiso
	Ca2 0 .3008 .25 .0054
	Fe1 0 .9079 .25 .0035
	Si .2878 .0927 .2322 .0028
	O1 .1194 .0907 .1528 .0051
	O2 .3629 .2465 .3237 .0062
	O3 .3503 .0202 -.0078 .0051
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	Hedenbergite
	Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W
	American Mineralogist 91 (2006) 1271-1292
	Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer
	spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution
	Locality: synthetic
	Sample: Hd21, T = 100K
	_database_code_amcsd 0004195
	9.8357 9.0078 5.2408 90 104.664 90 C2/c
	atom x y z Uiso
	Ca2 0 .3012 .25 .0036
	Fe1 0 .9082 .25 .0025
	Si .2879 .0928 .2321 .0022
	O1 .1195 .0909 .1523 .0038
	O2 .3631 .2467 .3241 .0047
	O3 .3504 .0206 .9912 .0037
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	Hedenbergite
	Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W
	American Mineralogist 91 (2006) 1271-1292
	Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer
	spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution
	Locality: synthetic
	Sample: Ae051, T = 298 K
	_database_code_amcsd 0004196
	9.8354 9.0108 5.2560 90 105.088 90 C2/c
	atom x y z occ Uiso
	Ca2 0 .3003 .25 .949 .0100
	Na2 0 .3003 .25 .051 .0100
	Fe2+1 0 .9069 .25 .949 .0067
	Fe3+1 0 .9069 .25 .051 .0067
	Si .2879 .0923 .2326 .0044
	O1 .1189 .0893 .1502 .0077
	O2 .3624 .2473 .3226 .0098
	O3 .3502 .0190 .9946 .0082
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	Hedenbergite
	Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W
	American Mineralogist 91 (2006) 1271-1292
	Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer
	spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution
	Locality: synthetic
	Sample: Hd102m, T = 298 K
	_database_code_amcsd 0004197
	9.8248 8.9973 5.2549 90 105.013 90 C2/c
	atom x y z occ Uiso
	Ca2 0 .3006 .25 .904 .0086
	Na2 0 .3006 .25 .096 .0086
	Fe2+1 0 .9064 .25 .904 .0054
	Fe3+1 0 .9064 .25 .096 .0054
	Si .2878 .0922 .2328 .0040
	O1 .1189 .0888 .1503 .0076
	O2 .3619 .2476 .3214 .0088
	O3 .3505 .0183 .9954 .0075
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	Hedenbergite
	Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W
	American Mineralogist 91 (2006) 1271-1292
	Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer
	spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution
	Locality: synthetic
	Sample: Ae151, T = 298 K
	_database_code_amcsd 0004198
	9.8067 8.9852 5.2886 90 105.356 90 C2/c
	atom x y z occ Uiso
	Ca2 0 .3016 .25 .850 .0101
	Na2 0 .3016 .25 .150 .0101
	Fe2+1 0 .9055 .25 .850 .0067
	Fe3+1 0 .9055 .25 .150 .0067
	Si .2880 .0923 .2323 .0039
	O1 .1179 .0873 .1477 .0089
	O2 .3614 .2493 .3201 .0107
	O3 .3506 .0172 .9963 .0093
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	Hedenbergite
	Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W
	American Mineralogist 91 (2006) 1271-1292
	Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer
	spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution
	Locality: synthetic
	Sample: Ae201, T = 298 K
	_database_code_amcsd 0004199
	9.7929 8.9656 5.2696 90 105.496 90 C2/c
	atom x y z occ Uiso
	Ca2 0 .3011 .25 .758 .0114
	Na2 0 .3011 .25 .242 .0114
	Fe2+1 0 .9049 .25 .758 .0073
	Fe3+1 0 .9049 .25 .242 .0073
	Si .2881 .0920 .2327 .0049
	O1 .1172 .0865 .1476 .0105
	O2 .3612 .2498 .3184 .0117
	O3 .3508 .0167 .9987 .0099
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	Hedenbergite
	Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W
	American Mineralogist 91 (2006) 1271-1292
	Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer
	spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution
	Locality: synthetic
	Sample: Ae251, T = 298 K
	_database_code_amcsd 0004200
	9.7938 8.9685 5.2632 90 105.520 90 C2/c
	atom x y z occ Uiso
	Ca2 0 .3013 .25 .742 .0093
	Na2 0 .3013 .25 .258 .0093
	Fe2+1 0 .9049 .25 .742 .0054
	Fe3+1 0 .9049 .25 .258 .0054
	Si .2881 .0918 .2328 .0031
	O1 .1174 .0865 .1476 .0078
	O2 .3608 .2496 .3177 .0090
	O3 .3505 .0165 .9987 .0078
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	Hedenbergite
	Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W
	American Mineralogist 91 (2006) 1271-1292
	Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer
	spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution
	Locality: synthetic
	Sample: Ae401, T = 298 K
	_database_code_amcsd 0004201
	9.7560 8.9252 5.2739 90 106.031 90 C2/c
	atom x y z occ Uiso
	Ca2 0 .3007 .25 .615 .0103
	Na2 0 .3007 .25 .385 .0103
	Fe2+1 0 .9037 .25 .615 .0056
	Fe3+1 0 .9037 .25 .385 .0056
	Si .2885 .0914 .2335 .0035
	O1 .1166 .0845 .1459 .0081
	O2 .3603 .2507 .3151 .0094
	O3 .3510 .0153 .0012 .0074
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	Hedenbergite
	Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W
	American Mineralogist 91 (2006) 1271-1292
	Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer
	spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution
	Locality: synthetic
	Sample: Ae451, T = 298 K
	_database_code_amcsd 0004202
	9.7428 8.9091 5.2750 90 106.126 90 C2/c
	atom x y z occ Uiso
	Ca2 0 .3013 .25 .55 .0106
	Na2 0 .3013 .25 .45 .0106
	Fe2+1 0 .9028 .25 .55 .0064
	Fe3+1 0 .9028 .25 .45 .0064
	Si .2887 .0915 .2335 .0040
	O1 .1162 .0832 .1437 .0103
	O2 .3594 .2513 .3112 .0102
	O3 .3508 .0133 .0031 .0081
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	Hedenbergite
	Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W
	American Mineralogist 91 (2006) 1271-1292
	Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer
	spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution
	Locality: synthetic
	Sample: Ae503
	_database_code_amcsd 0004203
	9.7412 8.9086 5.2776 90 106.221 90 C2/c
	atom x y z occ Uiso
	Ca2 0 .3007 .25 .506 .0121
	Na2 0 .3007 .25 .494 .0121
	Fe2+1 0 .9025 .25 .506 .0061
	Fe3+1 0 .9025 .25 .494 .0061
	Si .2887 .0910 .2336 .0043
	O1 .1163 .0829 .1444 .0088
	O2 .3595 .2518 .3126 .0096
	O3 .3511 .0138 .0036 .0086
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	Aegirine
	Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W
	American Mineralogist 91 (2006) 1271-1292
	Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer
	spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution
	Locality: synthetic
	Sample: Ae504
	_database_code_amcsd 0004204
	9.7412 8.9086 5.2776 90 106.221 90 C2/c
	atom x y z occ Uiso
	Na2 0 .3010 .25 .512 .0088
	Ca2 0 .3010 .25 .488 .0088
	Fe3+1 0 .9024 .25 .512 .0039
	Fe2+1 0 .9024 .25 .488 .0039
	Si .2888 .0906 .2337 .0024
	O1 .1163 .0832 .1439 .0069
	O2 .3595 .2514 .3133 .0068
	O3 .3511 .0137 .0024 .0059
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	Hedenbergite
	Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W
	American Mineralogist 91 (2006) 1271-1292
	Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer
	spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution
	Locality: synthetic
	Sample: Ae504, T = 200 K
	_database_code_amcsd 0004205
	9.7361 8.9020 5.2733 90 106.099 90 C2/c
	atom x y z occ Uiso
	Ca2 0 .3011 .25 .503 .0074
	Na2 0 .3011 .25 .497 .0074
	Fe2+1 0 .9028 .25 .503 .0038
	Fe3+1 0 .9028 .25 .497 .0038
	Si .2888 .0911 .2338 .0024
	O1 .1158 .0831 .1441 .0068
	O2 .3597 .2522 .3133 .0072
	O3 .3511 .0144 .0033 .0061
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	Hedenbergite
	Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W
	American Mineralogist 91 (2006) 1271-1292
	Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer
	spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution
	Locality: synthetic
	Sample: Ae504, T = 90 K
	_database_code_amcsd 0004206
	9.7266 8.8959 5.2691 90 106.067 90 C2/c
	atom x y z occ Uiso
	Ca2 0 .3013 .25 .501 .0055
	Na2 0 .3013 .25 .499 .0055
	Fe2+1 0 .9031 .25 .501 .0030
	Fe3+1 0 .9031 .25 .499 .0030
	Si .2889 .0912 .2340 .0020
	O1 .1158 .0836 .1445 .0058
	O2 .3598 .2525 .3139 .0057
	O3 .3512 .0147 .0026 .0045
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	Aegirine
	Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W
	American Mineralogist 91 (2006) 1271-1292
	Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer
	spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution
	Locality: synthetic
	Sample: Ae551, T = 298 K
	_database_code_amcsd 0004207
	10 9 5 90 106 90 C2/c
	atom x y z occ Uiso
	Na2 0 .3010 .25 .55 .0112
	Ca2 0 .3010 .25 .45 .0112
	Fe3+1 0 .9023 .25 .55 .0047
	Fe2+1 0 .9023 .25 .45 .0047
	Si .2891 .0912 .2343 .0027
	O1 .1169 .0832 .1447 .0066
	O2 .3577 .2535 .3096 .0083
	O3 .3519 .0144 .0050 .0070
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	Aegirine
	Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W
	American Mineralogist 91 (2006) 1271-1292
	Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer
	spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution
	Locality: synthetic
	Sample: Ae601, T = 298 K
	_database_code_amcsd 0004208
	9.7176 8.8792 5.2828 90 106.530 90 C2/c
	atom x y z occ Uiso
	Na2 0 .3011 .25 .604 .0122
	Ca2 0 .3011 .25 .396 .0122
	Fe3+1 0 .9016 .25 .604 .0064
	Fe2+1 0 .9016 .25 .396 .0064
	Si .2892 .0908 .2335 .0042
	O1 .1154 .0815 .1420 .0087
	O2 .3592 .2531 .3093 .0107
	O3 .3513 .0126 .0050 .0089
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	Aegirine
	Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W
	American Mineralogist 91 (2006) 1271-1292
	Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer
	spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution
	Locality: synthetic
	Sample: Ae701, T = 298 K
	_database_code_amcsd 0004209
	9.6993 8.8579 5.2813 90 106.637 90 C2/c
	atom x y z occ Uiso
	Na2 0 .3009 .25 .711 .0108
	Ca2 0 .3009 .25 .289 .0108
	Fe3+1 0 .9012 .25 .711 .0040
	Fe2+1 0 .9012 .25 .289 .0040
	Si .2894 .0904 .2340 .0029
	O1 .1152 .0818 .1413 .0056
	O2 .3586 .2532 .3078 .0076
	O3 .3514 .0118 .0074 .0055
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	Aegirine
	Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W
	American Mineralogist 91 (2006) 1271-1292
	Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer
	spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution
	Locality: synthetic
	Sample: Ae751, T = 298 K
	_database_code_amcsd 0004210
	9.6953 8.8491 5.2856 90 106.778 90 C2/c
	atom x y z occ Uiso
	Na2 0 .3005 .25 .751 .0104
	Ca2 0 .3005 .25 .249 .0104
	Fe3+1 0 .9006 .25 .751 .0053
	Fe2+1 0 .9006 .25 .249 .0053
	Si .2897 .0905 .2336 .0018
	O1 .1147 .0804 .1400 .0047
	O2 .3590 .2544 .3063 .0072
	O3 .3514 .0121 .0074 .0056
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	Aegirine
	Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W
	American Mineralogist 91 (2006) 1271-1292
	Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer
	spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution
	Locality: synthetic
	Sample: Ae801
	_database_code_amcsd 0004211
	9.6804 8.8337 5.2831 90 106.877 90 C2/c
	atom x y z occ Uiso
	Na2 0 .3004 .25 .825 .0131
	Ca2 0 .3004 .25 .175 .0131
	Fe3+1 0 .9003 .25 .825 .0055
	Fe2+1 0 .9003 .25 .175 .0055
	Si .2899 .0904 .2343 .0039
	O1 .1148 .0797 .1402 .0058
	O2 .3587 .2544 .3050 .0086
	O3 .3508 .0105 .0084 .0072
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	Aegirine
	Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W
	American Mineralogist 91 (2006) 1271-1292
	Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer
	spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution
	Locality: synthetic
	Sample: Ae851
	_database_code_amcsd 0004212
	9.6654 8.8184 5.2805 90 106.976 90 C2/c
	atom x y z occ Uiso
	Na2 0 .3001 .25 .851 .0127
	Ca2 0 .3001 .25 .149 .0127
	Fe3+1 0 .8997 .25 .851 .0046
	Fe2+1 0 .8997 .25 .149 .0046
	Si .2900 .0899 .2346 .0036
	O1 .1147 .0794 .1392 .0059
	O2 .3587 .2548 .3038 .0090
	O3 .3518 .0099 .0088 .0071
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	Aegirine
	Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W
	American Mineralogist 91 (2006) 1271-1292
	Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer
	spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution
	Locality: synthetic
	Sample: Ae901, T = 298 K
	_database_code_amcsd 0004213
	9.6666 8.8099 5.2916 90 107.195 90 C2/c
	atom x y z occ Uiso
	Na2 0 .3003 .25 .898 .0117
	Ca2 0 .3003 .25 .102 .0117
	Fe3+1 0 .8994 .25 .898 .0022
	Fe2+1 0 .8994 .25 .102 .0022
	Si .2903 .0895 .2346 .0013
	O1 .1147 .0787 .1387 .0041
	O2 .3584 .2555 .3015 .0053
	O3 .3519 .0087 .0095 .0044
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	Aegirine
	Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W
	American Mineralogist 91 (2006) 1271-1292
	Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer
	spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution
	Locality: synthetic
	Sample: Ae951, T = 298 K
	_database_code_amcsd 0004214
	9.6554 8.7998 5.2900 90 107.304 90 C2/c
	atom x y z occ Uiso
	Na2 0 .2994 .25 .951 .0134
	Ca2 0 .2994 .25 .049 .0134
	Fe3+1 0 .8992 .25 .951 .0034
	Fe2+1 0 .8992 .25 .049 .0034
	Si .2905 .0896 .2352 .0027
	O1 .1144 .0786 .1381 .0044
	O2 .3586 .2555 .3019 .0077
	O3 .3520 .0088 .0111 .0056
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	Aegirine
	Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W
	American Mineralogist 91 (2006) 1271-1292
	Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer
	spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution
	Locality: synthetic
	Sample: nahp22, T = 298 K
	_database_code_amcsd 0004215
	9.6554 8.7952 5.2942 90 107.396 90 C2/c
	atom x y z Uiso
	Na2 0 .2988 .25 .0094
	Fe1 0 .8990 .25 .0025
	Si .2908 .0896 .2360 .0022
	O1 .1143 .0785 .1384 .0031
	O2 .3591 .2553 .3015 .0062
	O3 .3523 .0076 .0130 .0050
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	Aegirine
	Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W
	American Mineralogist 91 (2006) 1271-1292
	Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer
	spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution
	Locality: synthetic
	Sample: Nahp22a, T = 298 K
	_database_code_amcsd 0004216
	9.6554 8.7952 5.2942 90 107.396 90 C2/c
	atom x y z Uiso
	Na2 0 .2989 .25 .0106
	Fe1 0 .8989 .25 .0046
	Si .2907 .0893 .2358 .0028
	O1 .1144 .0785 .1379 .0068
	O2 .3589 .2558 .3015 .0095
	O3 .3519 .0081 .0129 .0084
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	NaGaSi2O6
	Nestola F, Rotiroti N, Bruno M, Tribaudino M, van Smaalen S, Ohashi H,
	Redhammer G J
	American Mineralogist 92 (2007) 560-569
	Low-temperature behavior of NaGaSi2O6
	Sample: T = 295 K
	_database_code_amcsd 0004307
	9.5531 8.6983 5.2684 90 107.629 90 C2/c
	atom x y z Uiso
	Na 0 .30038 .25 .0108
	Ga 0 .90189 .25 .00348
	Si .29116 .09112 .23220 .00314
	O1 .11188 .07804 .13365 .0044
	O2 .35874 .25894 .30170 .0062
	O3 .35265 .00957 .00787 .0055
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	NaGaSi2O6
	Nestola F, Rotiroti N, Bruno M, Tribaudino M, van Smaalen S, Ohashi H,
	Redhammer G J
	American Mineralogist 92 (2007) 560-569
	Low-temperature behavior of NaGaSi2O6
	Sample: T = 235 K
	_database_code_amcsd 0004308
	9.5494 8.6924 5.2673 90 107.631 90 C2/c
	atom x y z Uiso
	Na 0 .30046 .25 .0090
	Ga 0 .90210 .25 .00294
	Si .29119 .09122 .23236 .00274
	O1 .11199 .07797 .13373 .0037
	O2 .35868 .25913 .30187 .0053
	O3 .35284 .00984 .00773 .0048
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	NaGaSi2O6
	Nestola F, Rotiroti N, Bruno M, Tribaudino M, van Smaalen S, Ohashi H,
	Redhammer G J
	American Mineralogist 92 (2007) 560-569
	Low-temperature behavior of NaGaSi2O6
	Sample: T = 190 K
	_database_code_amcsd 0004309
	9.5472 8.6894 5.2667 90 107.632 90 C2/c
	atom x y z Uiso
	Na 0 .30051 .25 .0074
	Ga 0 .90219 .25 .00244
	Si .29119 .09127 .23241 .00237
	O1 .11191 .07803 .13350 .0032
	O2 .35878 .25935 .30219 .0046
	O3 .35285 .00980 .00769 .0041
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	NaGaSi2O6
	Nestola F, Rotiroti N, Bruno M, Tribaudino M, van Smaalen S, Ohashi H,
	Redhammer G J
	American Mineralogist 92 (2007) 560-569
	Low-temperature behavior of NaGaSi2O6
	Sample: T = 145 K
	_database_code_amcsd 0004310
	9.5453 8.6864 5.2662 90 107.630 90 C2/c
	atom x y z Uiso
	Na 0 .30047 .25 .0062
	Ga 0 .90232 .25 .00201
	Si .29121 .09129 .23263 .00206
	O1 .11187 .07812 .13369 .0030
	O2 .35880 .25936 .30240 .0039
	O3 .35303 .00986 .00795 .0036
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	NaGaSi2O6
	Nestola F, Rotiroti N, Bruno M, Tribaudino M, van Smaalen S, Ohashi H,
	Redhammer G J
	American Mineralogist 92 (2007) 560-569
	Low-temperature behavior of NaGaSi2O6
	Sample: T = 110 K
	_database_code_amcsd 0004311
	9.5442 8.6849 5.2662 90 107.628 90 C2/c
	atom x y z Uiso
	Na 0 .30058 .25 .0052
	Ga 0 .90238 .25 .00163
	Si .29125 .09128 .23264 .00183
	O1 .11190 .07820 .13385 .00276
	O2 .35882 .25945 .30267 .0034
	O3 .35297 .00994 .00775 .0032
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	Aegirine
	McCarthy A C, Downs R T, Thompson R M, Redhammer G J
	American Mineralogist 93 (2008) 1829-1837
	In situ high-pressure single-crystal X-ray study of aegirine, NaFe3+Si2O6,
	and the role of M1 size in clinopyroxene compressibility
	Locality: synthetic
	Note: Pressure = 0.0001 GPa
	_database_code_amcsd 0004759
	9.6539 8.7928 5.2935 90 107.436 90 C2/c
	atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	NaM2 0 .2992 .25 1.022 .00364 .00275 .00714 0 -.00050 0
	FeM1 0 .89878 .25 .407 .00119 .00128 .00404 0 .00057 0
	Si .29072 .08945 .23561 .370 .00106 .00132 .00344 -.00012 .00066 -.00008
	O1 .1143 .0786 .1376 .508 .00124 .00187 .00508 -.00018 .00069 -.00008
	O2 .3588 .2558 .3007 .674 .00238 .00170 .00722 -.00059 .00164 -.00062
	O3 .3520 .0078 .0120 .585 .00145 .00241 .00510 .00001 .00081 -.00077
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	Aegirine
	McCarthy A C, Downs R T, Thompson R M, Redhammer G J
	American Mineralogist 93 (2008) 1829-1837
	In situ high-pressure single-crystal X-ray study of aegirine, NaFe3+Si2O6,
	and the role of M1 size in clinopyroxene compressibility
	Locality: synthetic
	Note: Pressure = 1.78 GPa
	_database_code_amcsd 0004760
	9.6067 8.7501 5.2698 90 107.258 90 C2/c
	atom x y z Biso
	Na 0 .3002 .25 1.08
	Fe 0 .8997 .25 .64
	Si .2904 .0901 .2355 .61
	O1 .1150 .0792 .1397 .80
	O2 .3595 .2567 .3028 .90
	O3 .3527 .0107 .0110 .74
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	Aegirine
	McCarthy A C, Downs R T, Thompson R M, Redhammer G J
	American Mineralogist 93 (2008) 1829-1837
	In situ high-pressure single-crystal X-ray study of aegirine, NaFe3+Si2O6,
	and the role of M1 size in clinopyroxene compressibility
	Locality: synthetic
	Note: Pressure = 3.35 GPa
	_database_code_amcsd 0004761
	9.5667 8.7128 5.2484 90 107.095 90 C2/c
	atom x y z Biso
	Na 0 .3011 .25 1.08
	Fe 0 .9005 .25 .65
	Si .2907 .0908 .2356 .57
	O1 .1150 .0800 .1398 .68
	O2 .3574 .2578 .3052 .82
	O3 .3532 .0125 .0101 .76
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	Aegirine
	McCarthy A C, Downs R T, Thompson R M, Redhammer G J
	American Mineralogist 93 (2008) 1829-1837
	In situ high-pressure single-crystal X-ray study of aegirine, NaFe3+Si2O6,
	and the role of M1 size in clinopyroxene compressibility
	Locality: synthetic
	Note: Pressure = 5.47 GPa
	_database_code_amcsd 0004762
	9.5148 8.6568 5.2188 90 106.844 90 C2/c
	atom x y z Biso
	Na 0 .3029 .25 1.11
	Fe 0 .9006 .25 .58
	Si .2909 .0909 .2366 .54
	O1 .1141 .0801 .1414 .67
	O2 .3573 .2602 .3081 .77
	O3 .3548 .0130 .0094 .72
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	Aegirine
	McCarthy A C, Downs R T, Thompson R M, Redhammer G J
	American Mineralogist 93 (2008) 1829-1837
	In situ high-pressure single-crystal X-ray study of aegirine, NaFe3+Si2O6,
	and the role of M1 size in clinopyroxene compressibility
	Locality: synthetic
	Note: Pressure = 7.3 GPa
	_database_code_amcsd 0004763
	9.4711 8.6068 5.1915 90 106.633 90 C2/c
	atom x y z Biso
	Na 0 .3044 .25 1.09
	Fe 0 .9014 .25 .64
	Si .2911 .0917 .2365 .59
	O1 .1146 .0821 .1416 .64
	O2 .3574 .2607 .3135 .83
	O3 .3549 .0156 .0058 .78
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	Aegirine
	McCarthy A C, Downs R T, Thompson R M, Redhammer G J
	American Mineralogist 93 (2008) 1829-1837
	In situ high-pressure single-crystal X-ray study of aegirine, NaFe3+Si2O6,
	and the role of M1 size in clinopyroxene compressibility
	Locality: synthetic
	Note: Pressure = 8.63 GPa
	_database_code_amcsd 0004764
	9.4426 8.5727 5.1740 90 106.482 90 C2/c
	atom x y z Biso
	Na 0 .3048 .25 .98
	Fe 0 .9015 .25 .60
	Si .2911 .0920 .2367 .60
	O1 .1135 .0827 .1411 .70
	O2 .3567 .2617 .3144 .95
	O3 .3558 .0175 .0044 .59
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	Aegirine
	McCarthy A C, Downs R T, Thompson R M, Redhammer G J
	American Mineralogist 93 (2008) 1829-1837
	In situ high-pressure single-crystal X-ray study of aegirine, NaFe3+Si2O6,
	and the role of M1 size in clinopyroxene compressibility
	Locality: synthetic
	Note: Pressure = 9.76 GPa
	_database_code_amcsd 0004765
	9.4220 8.5480 5.1597 90 106.371 90 C2/c
	atom x y z Biso
	Na 0 .3050 .25 1.17
	Fe 0 .9018 .25 .82
	Si .2911 .0918 .2368 .77
	O1 .1149 .0824 .1412 .78
	O2 .3562 .2615 .3186 .94
	O3 .3557 .0188 .0032 .98
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	Aegirine
	McCarthy A C, Downs R T, Thompson R M, Redhammer G J
	American Mineralogist 93 (2008) 1829-1837
	In situ high-pressure single-crystal X-ray study of aegirine, NaFe3+Si2O6,
	and the role of M1 size in clinopyroxene compressibility
	Locality: synthetic
	Note: Pressure = 10.82 GPa
	_database_code_amcsd 0004766
	9.4038 8.5221 5.1465 90 106.256 90 C2/c
	atom x y z Biso
	Na 0 .3059 .25 1.07
	Fe 0 .9021 .25 .74
	Si .2916 .0922 .2377 .69
	O1 .1141 .0822 .1414 .72
	O2 .3573 .2619 .3186 .96
	O3 .3564 .0192 .0032 .86
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	LiFeGe2O6
	Nestola F, Redhammer G J, Pamato M G, Secco L, Dal Negro A
	American Mineralogist 94 (2009) 616-621
	High-pressure phase transformation in LiFeGe2O6 pyroxene
	Note: P = 0.00 GPa
	_database_code_amcsd 0004907
	9.893 8.836 5.379 90 108.83 90 P2_1/c
	atom x y z Uiso
	LiM2 .2580 .0200 .2200 .018
	FeM1 .2510 .6500 .2153 .016
	GeA .0453 .3420 .2797 .016
	O1A .8612 .3323 .1740 .016
	O2A .1082 .5178 .2850 .022
	O3A .1187 .2895 .6170 .019
	GeB .5517 .8394 .2311 .015
	O1B .3611 .8285 .1000 .016
	O2B .6311 .0039 .3850 .023
	O3B .6131 .6924 .4620 .023
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	LiFeGe2O6
	Nestola F, Redhammer G J, Pamato M G, Secco L, Dal Negro A
	American Mineralogist 94 (2009) 616-621
	High-pressure phase transformation in LiFeGe2O6 pyroxene
	Note: P = 1.25 GPa
	_database_code_amcsd 0004908
	9.843 8.794 5.352 90 108.70 90 P2_1/c
	atom x y z Uiso
	LiM2 .2600 .0130 .2210 .024
	FeM1 .2505 .6509 .2128 .018
	GeA .0457 .3420 .2811 .019
	O1A .8595 .3330 .1770 .017
	O2A .1121 .5201 .2840 .026
	O3A .1180 .2902 .6200 .019
	GeB .5530 .8394 .2300 .018
	O1B .3640 .8293 .1030 .019
	O2B .6294 .0050 .3860 .029
	O3B .6146 .6905 .4600 .024
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	LiFeGe2O6
	Nestola F, Redhammer G J, Pamato M G, Secco L, Dal Negro A
	American Mineralogist 94 (2009) 616-621
	High-pressure phase transformation in LiFeGe2O6 pyroxene
	Note: P = 2.54 GPa
	_database_code_amcsd 0004909
	9.801 8.769 5.331 90 108.66 90 P2_1/c
	atom x y z Uiso
	LiM2 .2570 .0134 .2309 .019
	FeM1 .2508 .6508 .2110 .018
	GeA .0455 .3422 .2830 .019
	O1A .8620 .3360 .1830 .022
	O2A .1150 .5200 .2880 .028
	O3A .1179 .2940 .6250 .014
	GeB .5536 .8392 .2298 .018
	O1B .3670 .8291 .1020 .017
	O2B .6290 .0040 .3890 .024
	O3B .6110 .6870 .4550 .025
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	LiFeGe2O6
	Nestola F, Redhammer G J, Pamato M G, Secco L, Dal Negro A
	American Mineralogist 94 (2009) 616-621
	High-pressure phase transformation in LiFeGe2O6 pyroxene
	Note: P = 4.16 GPa
	_database_code_amcsd 0004910
	9.765 8.721 5.301 90 108.49 90 P2_1/c
	atom x y z Uiso
	LiM2 .2590 .0140 .2410 .030
	FeM1 .2516 .6508 .2092 .016
	GeA .0457 .3424 .2848 .018
	O1A .8640 .3352 .1880 .017
	O2A .1140 .5230 .2890 .030
	O3A .1202 .2950 .6270 .018
	GeB .5546 .8388 .2299 .018
	O1B .3655 .8269 .0960 .012
	O2B .6280 .0080 .3910 .024
	O3B .6110 .6810 .4520 .028
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	LiFeGe2O6
	Nestola F, Redhammer G J, Pamato M G, Secco L, Dal Negro A
	American Mineralogist 94 (2009) 616-621
	High-pressure phase transformation in LiFeGe2O6 pyroxene
	Note: P = 4.83 GPa
	_database_code_amcsd 0004911
	9.500 8.711 5.127 90 101.55 90 C2/c
	atom x y z Uiso
	LiM2 0 .2710 .2500 .018
	FeM1 0 .9004 .2500 .021
	Ge .3014 .0929 .2164 .021
	O1 .1119 .0814 .1310 .020
	O2 .3795 .2538 .3750 .028
	O3 .3603 .0646 .9180 .029
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	LiFeGe2O6
	Nestola F, Redhammer G J, Pamato M G, Secco L, Dal Negro A
	American Mineralogist 94 (2009) 616-621
	High-pressure phase transformation in LiFeGe2O6 pyroxene
	Note: P = 6.04 GPa
	_database_code_amcsd 0004912
	9.457 8.690 5.113 90 101.41 90 C2/c
	atom x y z Uiso
	LiM2 0 .2760 .2500 .016
	FeM1 0 .9010 .2500 .019
	Ge .3016 .0934 .2163 .019
	O1 .1145 .0834 .1330 .012
	O2 .3766 .2538 .3750 .022
	O3 .3598 .0675 .9130 .023
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	LiFeGe2O6
	Nestola F, Redhammer G J, Pamato M G, Secco L, Dal Negro A
	American Mineralogist 94 (2009) 616-621
	High-pressure phase transformation in LiFeGe2O6 pyroxene
	Note: P = 6.48 GPa
	_database_code_amcsd 0004913
	9.448 8.670 5.101 90 101.19 90 C2/c
	atom x y z Uiso
	LiM2 0 .2761 .2500 .011
	FeM1 0 .9009 .2500 .021
	Ge .3019 .0934 .2163 .022
	O1 .1116 .0835 .1290 .019
	O2 .3770 .2528 .3760 .028
	O3 .3611 .0679 .9170 .032
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	LiFeGe2O6
	Nestola F, Redhammer G J, Pamato M G, Secco L, Dal Negro A
	American Mineralogist 94 (2009) 616-621
	High-pressure phase transformation in LiFeGe2O6 pyroxene
	Note: P = 8.72 GPa
	_database_code_amcsd 0004914
	9.400 8.640 5.075 90 100.91 90 C2/c
	atom x y z Uiso
	LiM2 0 .2700 .2500 .017
	FeM1 0 .9014 .2500 .021
	Ge .3025 .0935 .2163 .021
	O1 .1120 .0835 .1260 .022
	O2 .3782 .2550 .3790 .026
	O3 .3610 .0684 .9120 .030
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	Poitevinite
	Giester G, Lengauer C L, Redhammer G J
	The Canadian Mineralogist 32 (1994) 873-884
	Characterization of the FeSO4.H2O - CuSO4.H2O solid solution series, and the
	nature of poitevinite, (Cu,Fe)SO4.H2O
	Sample: Fe-100
	_database_code_amcsd 0005412
	5.177 5.176 7.608 107.57 107.57 93.65 P-1
	atom x y z Biso
	FeM1 0 0 0 .9
	FeM2 .5 .5 .5 .9
	S .596 .899 .248 .8
	O1 .724 .815 .097 1.9
	O2 .291 .827 .154 1.1
	O3 .668 .204 .345 2.0
	O4 .689 .765 .394 1.4
	Wat .103 .392 .255 1.4
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	Poitevinite
	Giester G, Lengauer C L, Redhammer G J
	The Canadian Mineralogist 32 (1994) 873-884
	Characterization of the FeSO4.H2O - CuSO4.H2O solid solution series, and the
	nature of poitevinite, (Cu,Fe)SO4.H2O
	Sample: Cu-48,Fe-52
	_database_code_amcsd 0005413
	5.120 5.160 7.535 107.06 107.40 92.73 P-1
	atom x y z occ Biso
	CuM1 0 0 0 .48 1.1
	FeM1 0 0 0 .52 1.1
	CuM2 .5 .5 .5 .48 1.1
	FeM2 .5 .5 .5 .52 1.1
	S .593 .918 .248 .7
	O1 .727 .830 .098 1.1
	O2 .287 .828 .154 1.3
	O3 .644 .222 .331 .9
	O4 .694 .797 .404 1.6
	Wat .114 .407 .265 1.0
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	Poitevinite
	Giester G, Lengauer C L, Redhammer G J
	The Canadian Mineralogist 32 (1994) 873-884
	Characterization of the FeSO4.H2O - CuSO4.H2O solid solution series, and the
	nature of poitevinite, (Cu,Fe)SO4.H2O
	Sample: Cu-100
	_database_code_amcsd 0005414
	5.034 5.167 7.573 108.64 108.41 90.88 P-1
	atom x y z Biso
	CuM1 0 0 0 .7
	CuM2 .5 .5 .5 .7
	S .608 .925 .243 .4
	O1 .752 .829 .095 1.3
	O2 .301 .836 .142 1.9
	O3 .663 .232 .322 1.5
	O4 .707 .808 .399 1.1
	Wat .125 .430 .284 1.6
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	Diopside
	Redhammer G J
	European Journal of Mineralogy 10 (1998) 439-452
	Mossbauer spectroscopy and Rietveld refinement on synthetic
	ferri-Tschermak's molecule CaFe3+(Fe3+Si)O6 substituted diopside
	Sample: Di#S2
	_database_code_amcsd 0006718
	9.7483 8.9246 5.2505 90 105.882 90 C2/c
	atom x y z Biso
	CaM2 0 .3014 1/4 .64
	MgM1 0 .9078 1/4 .40
	SiT .2860 .0916 .2302 .39
	O1 .1184 .0871 .1432 .50
	O2 .3623 .2498 .3175 1.3
	O3 .3487 .0201 .9983 .54
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	Diopside
	Redhammer G J
	European Journal of Mineralogy 10 (1998) 439-452
	Mossbauer spectroscopy and Rietveld refinement on synthetic
	ferri-Tschermak's molecule CaFe3+(Fe3+Si)O6 substituted diopside
	Sample: fts6/#2
	_database_code_amcsd 0006719
	9.7433 8.9410 5.2511 90 105.936 90 C2/c
	atom x y z occ Biso
	CaM2 0 .3009 1/4 .63
	MgM1 0 .9072 1/4 .943 .37
	FeM1 0 .9072 1/4 .057 .37
	SiT .2862 .0936 .2290 .9635 .35
	FeT .2862 .0936 .2290 .0365 .35
	O1 .1164 .0874 .1438 .51
	O2 .3617 .2481 .3174 .65
	O3 .3505 .0169 .9933 .56
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	Diopside
	Redhammer G J
	European Journal of Mineralogy 10 (1998) 439-452
	Mossbauer spectroscopy and Rietveld refinement on synthetic
	ferri-Tschermak's molecule CaFe3+(Fe3+Si)O6 substituted diopside
	Sample: fts10/#2
	_database_code_amcsd 0006720
	9.7600 8.9236 5.2670 90 105.890 90 C2/c
	atom x y z occ Biso
	CaM2 0 .3017 1/4 .33
	MgM1 0 .9073 1/4 .895 .4
	FeM1 0 .9073 1/4 .105 .4
	SiT .2867 .0934 .2297 .95 .43
	FeT .2867 .0934 .2297 .05 .43
	O1 .1166 .0872 .1421 .21
	O2 .3613 .2495 .3206 .35
	O3 .3505 .0183 .9958 .3
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	Diopside-ferrian
	Redhammer G J
	European Journal of Mineralogy 10 (1998) 439-452
	Mossbauer spectroscopy and Rietveld refinement on synthetic
	ferri-Tschermak's molecule CaFe3+(Fe3+Si)O6 substituted diopside
	Sample: fts10/#3
	_database_code_amcsd 0006721
	9.7578 8.9226 5.2639 90 105.886 90 C2/c
	atom x y z occ Biso
	CaM2 0 .3017 1/4 .52
	MgM1 0 .9082 1/4 .906 .41
	FeM1 0 .9082 1/4 .094 .41
	SiT .2859 .0938 .2282 .95 .46
	FeT .2859 .0938 .2282 .05 .46
	O1 .1169 .0876 .1423 .28
	O2 .3617 .2494 .3202 .5
	O3 .3511 .0187 .9966 .6
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	Diopside-ferrian
	Redhammer G J
	European Journal of Mineralogy 10 (1998) 439-452
	Mossbauer spectroscopy and Rietveld refinement on synthetic
	ferri-Tschermak's molecule CaFe3+(Fe3+Si)O6 substituted diopside
	Sample: fts15/#2
	_database_code_amcsd 0006722
	9.7646 8.9200 5.2709 90 105.889 90 C2/c
	atom x y z occ Biso
	CaM2 0 .3023 1/4 .3
	MgM1 0 .9074 1/4 .857 .34
	FeM1 0 .9074 1/4 .143 .34
	SiT .2860 .0938 .2275 .938 .51
	FeT .2860 .0938 .2275 .062 .51
	O1 .1166 .0882 .1425 .3
	O2 .3615 .2505 .3212 .8
	O3 .3520 .0205 .9968 .5
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	Diopside-ferrian
	Redhammer G J
	European Journal of Mineralogy 10 (1998) 439-452
	Mossbauer spectroscopy and Rietveld refinement on synthetic
	ferri-Tschermak's molecule CaFe3+(Fe3+Si)O6 substituted diopside
	Sample: fts20/#2
	_database_code_amcsd 0006723
	9.7724 8.9176 5.2837 90 105.881 90 C2/c
	atom x y z occ Biso
	CaM2 0 .3023 1/4 .35
	MgM1 0 .9070 1/4 .805 .44
	FeM1 0 .9070 1/4 .195 .44
	SiT .2867 .0938 .2287 .875 .43
	FeT .2867 .0938 .2287 .125 .43
	O1 .1156 .0873 .1394 .4
	O2 .3625 .2507 .3224 .4
	O3 .3507 .0198 .9968 .5
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	Diopside-subsilisic
	Redhammer G J
	European Journal of Mineralogy 10 (1998) 439-452
	Mossbauer spectroscopy and Rietveld refinement on synthetic
	ferri-Tschermak's molecule CaFe3+(Fe3+Si)O6 substituted diopside
	Sample: fts30/#2
	_database_code_amcsd 0006724
	9.7844 8.9132 5.2989 90 105.883 90 C2/c
	atom x y z occ Biso
	CaM2 0 .3031 1/4 .52
	MgM1 0 .9067 1/4 .733 .45
	FeM1 0 .9067 1/4 .267 .45
	SiT .2868 .0940 .2272 .835 .53
	FeT .2868 .0940 .2272 .165 .53
	O1 .1146 .0885 .1345 .4
	O2 .3629 .2516 .3234 .3
	O3 .3510 .0215 .9986 .4
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	Diopside-subsilisic
	Redhammer G J
	European Journal of Mineralogy 10 (1998) 439-452
	Mossbauer spectroscopy and Rietveld refinement on synthetic
	ferri-Tschermak's molecule CaFe3+(Fe3+Si)O6 substituted diopside
	Sample: fts40/#1
	_database_code_amcsd 0006725
	9.8007 8.9002 5.3214 90 105.856 90 C2/c
	atom x y z occ Biso
	CaM2 0 .3038 1/4 .41
	MgM1 0 .9067 1/4 .641 .93
	FeM1 0 .9067 1/4 .359 .93
	SiT .2866 .0939 .2260 .60 .43
	FeT .2866 .0939 .2260 .20 .43
	O1 .1159 .0891 .1402 .7
	O2 .3639 .2546 .3186 .8
	O3 .3530 .0229 .9953 1.1
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	Hedenbergite
	Redhammer G J, Amthauer G, Lottermoser W, Treutmann W
	European Journal of Mineralogy 12 (2000) 105-120
	Synthesis and structural properties of clinopyroxenes of the
	hedenbergite CaFeSi2O6 - aegirine NaFeSi2O6 solid-solution series
	Sample: hd/6
	_database_code_amcsd 0006815
	9.8475 9.0277 5.2495 90 104.805 90 C2/c
	atom x y z occ Biso
	NaM2 0 .3004 .25 .06 .36
	CaM2 0 .3004 .25 .94 .36
	FeM1 0 .9073 .25 .47
	SiT .2869 .0931 .2319 .28
	O1 .1230 .0916 .1529 .86
	O2 .3644 .2457 .3228 1.08
	O3 .3463 .0210 .0020 1.17
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	Hedenbergite
	Redhammer G J, Amthauer G, Lottermoser W, Treutmann W
	European Journal of Mineralogy 12 (2000) 105-120
	Synthesis and structural properties of clinopyroxenes of the
	hedenbergite CaFeSi2O6 - aegirine NaFeSi2O6 solid-solution series
	Sample: hd/10
	_database_code_amcsd 0006816
	9.8472 9.0288 5.2466 90 104.789 90 C2/c
	atom x y z occ Biso
	NaM2 0 .3011 .25 .10 1.05
	CaM2 0 .3011 .25 .90 1.05
	FeM1 0 .9072 .25 1.09
	SiT .2870 .0917 .2318 .68
	O1 .1237 .0896 .1492 1.26
	O2 .3666 .2434 .3234 1.41
	O3 .3452 .0196 .9961 1.58
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	Hedenbergite
	Redhammer G J, Amthauer G, Lottermoser W, Treutmann W
	European Journal of Mineralogy 12 (2000) 105-120
	Synthesis and structural properties of clinopyroxenes of the
	hedenbergite CaFeSi2O6 - aegirine NaFeSi2O6 solid-solution series
	Sample: ae25/20
	_database_code_amcsd 0006817
	9.7951 8.9698 5.2634 90 105.523 90 C2/c
	atom x y z occ Biso
	NaM2 0 .2977 .25 .25 .66
	CaM2 0 .2977 .25 .75 .66
	FeM1 0 .9042 .25 .44
	SiT .2906 .0896 .2395 .39
	O1 .1162 .0937 .1580 .58
	O2 .3624 .2491 .3109 .77
	O3 .3423 .0192 .9940 .65
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