Krotite
	Kahlenberg V
	European Journal of Mineralogy 13 (2001) 403-410
	On the Al/Fe substitution in iron doped monocalcium
	aluminate - the crystal structure of CaAl1.8Fe0.2O4
	Locality: synthetic
	_database_code_amcsd 0006865
	8.758 8.112 15.311 90 90.21 90 P2_1/n
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ca1 .2401 .0352 .0891 .0113 .0120 .0093 .0128 .0006 .0042 .0015
	Ca2 .2681 .4697 .0716 .0137 .0122 .0134 .0155 .0019 -.0011 .0012
	Ca3 .7396 .5282 .2470 .0187 .0168 .0183 .0212 .0003 .0003 -.0010
	AlT1 .4236 .3270 .2384 .926 .0078 .0079 .0088 .0067 -.0013 .0002 -.0005
	FeT1 .4236 .3270 .2384 .074 .0078 .0079 .0088 .0067 -.0013 .0002 -.0005
	AlT2 .4197 .7261 .2332 .904 .0084 .0068 .0111 .0075 .0006 .0016 .0006
	FeT2 .4197 .7261 .2332 .096 .0084 .0068 .0111 .0075 .0006 .0016 .0006
	AlT3 .5983 .8290 .0781 .898 .0076 .0077 .0080 .0073 .0015 .0013 .0001
	FeT3 .5983 .8290 .0781 .102 .0076 .0077 .0080 .0073 .0015 .0013 .0001
	AlT4 .6120 .2222 .0809 .911 .0090 .0070 .0126 .0077 -.0008 .0014 -.0010
	FeT4 .6120 .2222 .0809 .089 .0090 .0070 .0126 .0077 -.0008 .0014 -.0010
	AlT5 .9358 .7294 .0915 .887 .0075 .0057 .0107 .0061 .0007 .0009 .0002
	FeT5 .9358 .7294 .0915 .113 .0075 .0057 .0107 .0061 .0007 .0009 .0002
	AlT6 .9388 .3344 .0922 .924 .0083 .0077 .0086 .0088 .0010 .0015 .0006
	FeT6 .9388 .3344 .0922 .076 .0083 .0077 .0086 .0088 .0010 .0015 .0006
	O1 .0775 .2396 .0240 .0121 .0125 .0131 .0109 .0020 .0042 .0017
	O2 .0177 .5312 .1114 .0169 .0186 .0141 .0181 -.0006 -.0022 .0004
	O3 .0550 .8667 .1487 .0161 .0176 .0173 .0136 -.0049 .0008 -.0001
	O4 .2476 .2447 .2025 .0141 .0102 .0165 .0156 .0011 .0013 -.0001
	O5 .4339 .2588 .0274 .0139 .0126 .0149 .0143 .0028 .0011 -.0023
	O6 .4305 .8555 .1406 .0155 .0160 .0165 .0154 .0034 .0033 .0041
	O7 .4341 .5249 .1878 .0182 .0239 .0159 .0148 -.0008 .0014 -.0002
	O8 .5847 .2270 .1958 .0168 .0134 .0256 .0112 .0058 .0030 .0013
	O9 .6795 .0234 .0542 .0168 .0150 .0140 .0214 .0008 .0068 -.0014
	O10 .7552 .3598 .0465 .0169 .0188 .0126 .0194 -.0013 .0019 .0030
	O11 .7462 .7276 .1349 .0158 .0131 .0209 .0136 .0022 .0015 .0030
	O12 .9193 .2465 .1972 .0154 .0116 .0238 .0108 -.0004 -.0010 .0036
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