Ilvaite
	Ghose S, Sen Gupta P K, Schlemper E O
	American Mineralogist 70 (1985) 1248-1252
	Electron ordering in ilvaite, a mixed-valence iron
	silicate: crystal structure refinement at 138 K
	Sample: T = 138 K
	_database_code_amcsd 0001003
	13.008 8.784 5.836 90 90.21 90 P2_1/a
	atom x y z Biso
	Fe1Ao .89001 .05004 .00852 .320
	Fe2Am .88996 .05218 .49051 .307
	Fe3B .94134 .74089 .24923 .307
	Ca .81261 .37020 .75256 .316
	Si1 .95954 .36916 .2492 .233
	Si2 .67914 .22764 .2518 .231
	O1 .0090 .0294 .7379 .51
	O2o .9369 .2722 .0159 .35
	O2m .9354 .2728 .4829 .34
	O3 .7774 .1102 .2553 .33
	O4o .6706 .3289 .0179 .37
	O4m .6703 .3318 .4830 .36
	O5 .5848 .1008 .2524 .33
	O6 .6018 .0264 .7519 .43
	O7 .7980 .1096 .7441 .36
	H .741 .098 .743 3.2
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	Ilvaite
	Bonazzi P, Bindi L
	American Mineralogist 84 (1999) 1604-1612
	Structural adjustments induced by heat treatment in ilvaite
	Sample: RM at room temperature
	_database_code_amcsd 0002317
	13.006 8.808 5.850 90 90.34 90 P2_1/a
	atom x y z occ Uiso
	Ca .81285 .37021 .75327 .00855
	Fe11 .89018 .04961 .00734 .97 .00736
	Mg11 .89018 .04961 .00734 .03 .00736
	Fe12 .88999 .05200 .49267 .96 .00662
	Al12 .88999 .05200 .49267 .04 .00662
	Fe2 .94076 .74006 .24863 .95 .00770
	Mn2 .94076 .74006 .24863 .05 .00770
	Si1 .95950 .36859 .24925 .00589
	Si2 .67948 .22718 .25216 .00601
	H .7381 .0770 .7381 .036
	O1 .00992 .02941 .73668 .01007
	O21 .93723 .27240 .01584 .00851
	O22 .93527 .27256 .48251 .00822
	O3 .77743 .10907 .25657 .00817
	O41 .67131 .32760 .01900 .00836
	O42 .67037 .33147 .48218 .00786
	O5 .58487 .10063 .25333 .00816
	O6 .60183 .02559 .75255 .01070
	O7 .79796 .10924 .74425 .00849
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	Ilvaite
	Bonazzi P, Bindi L
	American Mineralogist 84 (1999) 1604-1612
	Structural adjustments induced by heat treatment in ilvaite
	Sample: RM at T = 400 deg C
	_database_code_amcsd 0002318
	13.015 8.803 5.842 90 90.16 90 P2_1/a
	atom x y z occ Uiso
	Ca .81287 .37024 .75082 .01025
	Fe11 .89008 .05063 .00746 .97 .00869
	Mg11 .89008 .05063 .00746 .03 .00869
	Fe12 .89002 .05112 .49256 .96 .00844
	Al12 .89002 .05112 .49256 .04 .00844
	Fe2 .94072 .74001 .24967 .95 .00910
	Mn2 .94072 .74001 .24967 .05 .00910
	Si1 .95950 .36867 .24978 .00756
	Si2 .67940 .22725 .25048 .00770
	H .7368 .0734 .7501 .034
	O1 .00972 .02937 .74624 .01339
	O21 .93673 .27236 .01684 .00988
	O22 .93618 .27256 .48296 .01017
	O3 .77741 .10954 .25153 .01054
	O41 .67091 .32943 .01879 .01017
	O42 .67071 .33023 .48127 .01023
	O5 .58492 .10079 .25082 .00920
	O6 .60185 .02546 .75058 .01232
	O7 .79802 .10917 .74867 .01041
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	Ilvaite
	Bonazzi P, Bindi L
	American Mineralogist 84 (1999) 1604-1612
	Structural adjustments induced by heat treatment in ilvaite
	Sample: RM at T = 450 deg C
	_database_code_amcsd 0002319
	13.014 8.807 5.846 90 90.10 90 P2_1/a
	atom x y z occ Uiso
	Ca .81287 .37029 .75072 .00958
	Fe11 .89007 .05073 .00734 .97 .00807
	Mg11 .89007 .05073 .00734 .03 .00807
	Fe12 .89000 .05119 .49276 .96 .00799
	Al12 .89000 .05119 .49276 .04 .00799
	Fe2 .94063 .74003 .24975 .95 .00857
	Mn2 .94063 .74003 .24975 .05 .00857
	Si1 .95958 .36863 .24986 .00688
	Si2 .67950 .22731 .25047 .00689
	H .7394 .0789 .7417 .047
	O1 .00985 .02910 .74651 .01293
	O21 .93651 .27249 .01682 .00920
	O22 .93628 .27240 .48262 .00913
	O3 .77748 .10944 .25130 .00967
	O41 .67102 .32928 .01863 .00942
	O42 .67084 .33013 .48177 .00935
	O5 .58485 .10108 .25056 .00907
	O6 .60163 .02554 .75061 .01173
	O7 .79821 .10931 .74935 .00948
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	Ilvaite
	Bonazzi P, Bindi L
	American Mineralogist 84 (1999) 1604-1612
	Structural adjustments induced by heat treatment in ilvaite
	Sample: RM at T = 500 deg C
	_database_code_amcsd 0002320
	13.005 8.800 5.847 90 90 90 Pnam
	atom x y z occ Uiso
	Ca .81303 .37050 .75 .00956
	Fe1 .88996 .05113 .00695 .93 .00802
	Mg1 .88996 .05113 .00695 .03 .00802
	Al1 .88996 .05113 .00695 .04 .00802
	Fe2 .94045 .73995 .25 .95 .00853
	Mn2 .94045 .73995 .25 .05 .00853
	Si1 .95973 .36848 .25 .00683
	Si2 .67954 .22764 .25 .00685
	H .7420 .0727 .75 .062
	O1 .01009 .02908 .75 .01288
	O2 .93650 .27246 .01687 .00907
	O3 .77766 .10957 .25 .00910
	O4 .67089 .33005 .01854 .00920
	O5 .58510 .10122 .25 .00884
	O6 .60152 .02558 .75 .01173
	O7 .79861 .10947 .75 .00965
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	Ilvaite
	Bonazzi P, Bindi L
	American Mineralogist 84 (1999) 1604-1612
	Structural adjustments induced by heat treatment in ilvaite
	Sample: RM at T = 550 deg C
	_database_code_amcsd 0002321
	13.013 8.802 5.849 90 90 90 Pnam
	atom x y z occ Uiso
	Ca .81328 .37080 .75 .00891
	Fe1 .88981 .05150 .00594 .93 .00758
	Mg1 .88981 .05150 .00594 .03 .00758
	Al1 .88981 .05150 .00594 .04 .00758
	Fe2 .93991 .73990 .25 .95 .00791
	Mn2 .93991 .73990 .25 .05 .00791
	Si1 .96007 .36831 .25 .00600
	Si2 .67993 .22798 .25 .00632
	H .7438 .0535 .75 .196
	O1 .01067 .02862 .75 .01195
	O2 .93683 .27212 .01684 .00854
	O3 .77793 .10975 .25 .00858
	O4 .67116 .33030 .01831 .00839
	O5 .58548 .10167 .25 .00779
	O6 .60102 .02553 .75 .01138
	O7 .79899 .10990 .75 .00954
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	Ilvaite
	Bonazzi P, Bindi L
	American Mineralogist 84 (1999) 1604-1612
	Structural adjustments induced by heat treatment in ilvaite
	Sample: RM at T = 600 deg C
	_database_code_amcsd 0002322
	13.015 8.802 5.847 90 90 90 Pnam
	atom x y z occ Uiso
	Ca .81393 .37154 .75 .00945
	Fe1 .88955 .05225 .00369 .93 .00790
	Mg1 .88955 .05225 .00369 .03 .00790
	Al1 .88955 .05225 .00369 .04 .00790
	Fe2 .93864 .73969 .25 .95 .00819
	Mn2 .93864 .73969 .25 .05 .00819
	Si1 .96097 .36795 .25 .00618
	Si2 .68078 .22868 .25 .00629
	H .7611 .0717 .75 .088
	O1 .01197 .02755 .75 .01270
	O2 .93765 .27167 .01674 .00887
	O3 .77888 .11065 .25 .00821
	O4 .67178 .33119 .01805 .00882
	O5 .58608 .10232 .25 .00848
	O6 .60011 .02480 .75 .01257
	O7 .80060 .11071 .75 .01066
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	Ilvaite
	Bonazzi P, Bindi L
	American Mineralogist 84 (1999) 1604-1612
	Structural adjustments induced by heat treatment in ilvaite
	Sample: RM at T = 615 deg C
	_database_code_amcsd 0002323
	13.012 8.801 5.850 90 90 90 Pnam
	atom x y z occ Uiso
	Ca .81437 .37215 .75 .00880
	Fe1 .88933 .05276 .00182 .93 .00750
	Mg1 .88933 .05276 .00182 .03 .00750
	Al1 .88933 .05276 .00182 .04 .00750
	Fe2 .93779 .73957 .25 .95 .00779
	Mn2 .93779 .73957 .25 .05 .00779
	Si1 .96151 .36769 .25 .00573
	Si2 .68148 .22939 .25 .00576
	H .7629 .0549 .75 .115
	O1 .01277 .02720 .75 .01215
	O2 .93804 .27138 .01656 .00855
	O3 .77963 .11118 .25 .00752
	O4 .67208 .33193 .01836 .00826
	O5 .58682 .10303 .25 .00818
	O6 .59924 .02467 .75 .01283
	O7 .80151 .11156 .75 .01056
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	Ilvaite
	Bonazzi P, Bindi L
	American Mineralogist 84 (1999) 1604-1612
	Structural adjustments induced by heat treatment in ilvaite
	Sample: RM at T = 625 deg C
	_database_code_amcsd 0002324
	13.007 8.805 5.844 90 90 90 Pnam
	atom x y z occ Uiso
	Ca .81461 .37226 .75 .00996
	Fe1 .88925 .05298 .00143 .93 .00840
	Mg1 .88925 .05298 .00143 .03 .00840
	Al1 .88925 .05298 .00143 .04 .00840
	Fe2 .93739 .73945 .25 .95 .00859
	Mn2 .93739 .73945 .25 .05 .00859
	Si1 .96180 .36767 .25 .00661
	Si2 .68167 .22961 .25 .00658
	O1 .01293 .02673 .75 .01315
	O2 .93843 .27132 .01651 .00963
	O3 .77989 .11128 .25 .00862
	O4 .67217 .33186 .01774 .00924
	O5 .58696 .10293 .25 .00962
	O6 .59906 .02465 .75 .01432
	O7 .80173 .11110 .75 .01189
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	Ilvaite
	Bonazzi P, Bindi L
	American Mineralogist 84 (1999) 1604-1612
	Structural adjustments induced by heat treatment in ilvaite
	Sample: RM at T = 660 deg C
	_database_code_amcsd 0002325
	13.008 8.802 5.842 90 90 90 Pnam
	atom x y z occ Uiso
	Ca .81562 .37326 .75 .00957
	Fe1 .88880 .05419 -.00169 .93 .00773
	Mg1 .88880 .05419 -.00169 .03 .00773
	Al1 .88880 .05419 -.00169 .04 .00773
	Fe2 .93565 .73917 .25 .95 .00830
	Mn2 .93565 .73917 .25 .05 .00830
	Si1 .96320 .36724 .25 .00639
	Si2 .68289 .23103 .25 .00589
	O1 .01464 .02588 .75 .01118
	O2 .93945 .27077 .01623 .00937
	O3 .78146 .11217 .25 .00818
	O4 .67292 .33335 .01754 .00901
	O5 .58862 .10440 .25 .00950
	O6 .59678 .02416 .75 .01465
	O7 .80392 .11225 .75 .01128
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	Ilvaite
	Bonazzi P, Bindi L
	American Mineralogist 84 (1999) 1604-1612
	Structural adjustments induced by heat treatment in ilvaite
	Sample: RM at T = 675 deg C
	_database_code_amcsd 0002326
	13.013 8.804 5.841 90 90 90 Pnam
	atom x y z occ Uiso
	Ca .81593 .37354 .75 .01083
	Fe1 .88868 .05457 -.00250 .93 .00878
	Mg1 .88868 .05457 -.00250 .03 .00878
	Al1 .88868 .05457 -.00250 .04 .00878
	Fe2 .93508 .73909 .25 .95 .00950
	Mn2 .93508 .73909 .25 .05 .00950
	Si1 .96364 .36719 .25 .00757
	Si2 .68322 .23152 .25 .00695
	O1 .01507 .02534 .75 .01265
	O2 .93994 .27073 .01641 .01065
	O3 .78199 .11239 .25 .00939
	O4 .67321 .33364 .01744 .01038
	O5 .58908 .10482 .25 .01108
	O6 .59638 .02413 .75 .01602
	O7 .80464 .11229 .75 .01247
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	Ilvaite
	Bonazzi P, Bindi L
	American Mineralogist 84 (1999) 1604-1612
	Structural adjustments induced by heat treatment in ilvaite
	Sample: RM at T = 700 deg C
	_database_code_amcsd 0002327
	13.006 8.804 5.836 90 90 90 Pnam
	atom x y z occ Uiso
	Ca .81636 .37376 .75 .01285
	Fe1 .88856 .05505 -.00357 .93 .01016
	Mg1 .88856 .05505 -.00357 .03 .01016
	Al1 .88856 .05505 -.00357 .04 .01016
	Fe2 .93421 .73921 .25 .95 .01120
	Mn2 .93421 .73921 .25 .05 .01120
	Si1 .96437 .36704 .25 .00966
	Si2 .68385 .23199 .25 .00801
	O1 .01573 .02467 .75 .01451
	O2 .94065 .27065 .01616 .01267
	O3 .78262 .11255 .25 .01139
	O4 .67356 .33367 .01641 .01305
	O5 .58968 .10488 .25 .01315
	O6 .59543 .02378 .75 .01897
	O7 .80613 .11229 .75 .01357
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	Ilvaite
	Bonazzi P, Bindi L
	American Mineralogist 87 (2002) 845-852
	Structural properties and heat-induced oxidation-dehydrogenation of
	manganoan ilvaite from Perda Niedda mine, Sardinia, Italy
	Sample: PN6-RT, Crystal at room temperature
	_database_code_amcsd 0002848
	13.014 8.867 5.838 90 90 90 Pnam
	atom x y z occ Uiso
	CaA .81315 .37051 .75 .98 .0087
	MnA .81315 .37051 .75 .02 .0087
	FeM1 .89039 .05037 .00620 .0072
	MnM2 .93911 .73858 .25 .72 .0075
	FeM2 .93911 .73858 .25 .28 .0075
	Si1 .95892 .36652 .25 .0060
	Si2 .67992 .22666 .25 .0060
	O1 .0093 .0250 .75 .0124
	O2 .9367 .2712 .0152 .0086
	O3 .7771 .1081 .25 .0088
	O4 .6716 .3292 .0183 .0086
	O5 .5844 .1025 .25 .0085
	O6 .6039 .0207 .75 .0121
	O7 .7978 .1100 .75 .0087
	H .737 .068 .75 .026
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	Ilvaite
	Bonazzi P, Bindi L
	American Mineralogist 87 (2002) 845-852
	Structural properties and heat-induced oxidation-dehydrogenation of
	manganoan ilvaite from perda Niedda mine, Sardinia, Italy
	Sample: PN6-400, Crystal at room temperature, annealed at 400 C for 48 hrs
	_database_code_amcsd 0002849
	13.015 8.868 5.842 90 90 90 Pnam
	atom x y z occ Uiso
	CaA .81319 .37053 .75 .98 .0084
	MnA .81319 .37053 .75 .02 .0084
	FeM1 .89034 .05046 .00585 .0071
	MnM2 .93914 .73861 .25 .72 .0072
	FeM2 .93914 .73861 .25 .28 .0072
	Si1 .95900 .36670 .25 .0057
	Si2 .67995 .22664 .25 .0059
	O1 .0096 .0257 .75 .0123
	O2 .9367 .2714 .0155 .0085
	O3 .7771 .1080 .25 .0086
	O4 .6716 .3292 .0186 .0082
	O5 .5846 .1022 .25 .0081
	O6 .6036 .0211 .75 .0121
	O7 .7978 .1101 .75 .0085
	H .740 .071 .75 .018
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	Ilvaite
	Bonazzi P, Bindi L
	American Mineralogist 87 (2002) 845-852
	Structural properties and heat-induced oxidation-dehydrogenation of
	manganoan ilvaite from perda Niedda mine, Sardinia, Italy
	Sample: PN6-500, Crystal at room temperature, annealed at 500 C for 48 hrs
	_database_code_amcsd 0002850
	13.008 8.865 5.845 90 90 90 Pnam
	atom x y z occ Uiso
	CaA .81372 .37114 .75 .98 .0089
	MnA .81372 .37114 .75 .02 .0089
	FeM1 .89014 .05101 .00451 .0074
	MnM2 .93837 .73842 .25 .72 .0077
	FeM2 .93837 .73842 .25 .28 .0077
	Si1 .95958 .36646 .25 .0060
	Si2 .68051 .22740 .25 .0062
	O1 .0100 .0252 .75 .01231
	O2 .9372 .2711 .0155 .0088
	O3 .7776 .1089 .25 .0085
	O4 .6720 .3299 .0184 .0083
	O5 .5850 .1031 .25 .0082
	O6 .6028 .0208 .75 .0128
	O7 .7983 .1113 .75 .0094
	H .746 .070 .75 .05
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	Ilvaite
	Bonazzi P, Bindi L
	American Mineralogist 87 (2002) 845-852
	Structural properties and heat-induced oxidation-dehydrogenation of
	manganoan ilvaite from perda Niedda mine, Sardinia, Italy
	Sample: PN6-600, Crystal at room temperature, annealed at 600 C for 48 hrs
	_database_code_amcsd 0002851
	12.993 8.864 5.837 90 90 90 Pnam
	atom x y z occ Uiso
	CaA .81602 .37350 .75 .98 .0102
	MnA .81602 .37350 .75 .02 .0102
	FeM1 .88944 .05336 -.00094 .0086
	MnM2 .93451 .73764 .25 .72 .0092
	FeM2 .93451 .73764 .25 .28 .0092
	Si1 .9623 .3655 .25 .0069
	Si2 .6829 .2303 .25 .0071
	O1 .0132 .0229 .75 .0127
	O2 .9393 .2699 .0151 .0105
	O3 .7809 .1111 .25 .0085
	O4 .6734 .3326 .0184 .0094
	O5 .5880 .1054 .25 .0111
	O6 .5995 .0195 .75 .0172
	O7 .8026 .1140 .75 .0121
	H .788 .058 .75 .07
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	Ilvaite
	Bonazzi P, Bindi L
	American Mineralogist 87 (2002) 845-852
	Structural properties and heat-induced oxidation-dehydrogenation of
	manganoan ilvaite from perda Niedda mine, Sardinia, Italy
	Sample: PN6-650, Crystal at room temperature, annealed at 650 C for 48 hrs
	_database_code_amcsd 0002852
	12.983 8.868 5.822 90 90 90 Pnam
	atom x y z occ Uiso
	CaA .81841 .37552 .75 .98 .0108
	MnA .81841 .37552 .75 .02 .0108
	FeM1 .88865 .05553 -.00472 .0081
	MnM2 .93070 .73692 .25 .72 .0094
	FeM2 .93070 .73692 .25 .28 .0094
	Si1 .9647 .3644 .25 .0075
	Si2 .6853 .2333 .25 .0066
	O1 .0149 .0214 .75 .0112
	O2 .9423 .2690 .0147 .0103
	O3 .7832 .1139 .25 .0092
	O4 .6757 .3351 .0168 .0101
	O5 .5908 .1083 .25 .0109
	O6 .5959 .0184 .75 .0173
	O7 .8067 .1147 .75 .0113
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	Ilvaite
	Bonazzi P, Bindi L
	American Mineralogist 87 (2002) 845-852
	Structural properties and heat-induced oxidation-dehydrogenation of
	manganoan ilvaite from perda Niedda mine, Sardinia, Italy
	Sample: PN6-675, Crystal at room temperature, annealed at 675 C for 48 hrs
	_database_code_amcsd 0002853
	12.992 8.869 5.820 90 90 90 Pnam
	atom x y z occ Uiso
	CaA .81901 .37614 .75 .98 .0114
	MnA .81901 .37614 .75 .02 .0114
	FeM1 .88846 .05634 -.00567 .0081
	MnM2 .92967 .73665 .25 .72 .0097
	FeM2 .92967 .73665 .25 .28 .0097
	Si1 .9654 .3644 .25 .0080
	Si2 .6861 .2343 .25 .0065
	O1 .0154 .0212 .75 .0114
	O2 .9430 .2687 .0147 .0109
	O3 .7838 .1148 .25 .0095
	O4 .6761 .3359 .0164 .0103
	O5 .5917 .1089 .25 .0107
	O6 .5951 .0183 .75 .0182
	O7 .8074 .1149 .75 .0110
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	Ilvaite
	Bonazzi P, Bindi L
	American Mineralogist 87 (2002) 845-852
	Structural properties and heat-induced oxidation-dehydrogenation of
	manganoan ilvaite from perda Niedda mine, Sardinia, Italy
	Sample: PN6-690, Crystal at room temperature, annealed at 690 C for 48 hrs
	_database_code_amcsd 0002854
	13.015 8.873 5.816 90 90 90 Pnam
	atom x y z occ Uiso
	CaA .81955 .37599 .75 .98 .0132
	MnA .81955 .37599 .75 .02 .0132
	FeM1 .88830 .05682 -.00600 .0094
	MnM2 .92869 .73676 .25 .72 .01110
	FeM2 .92869 .73676 .25 .28 .01110
	Si1 .9666 .3638 .25 .0095
	Si2 .6869 .2349 .25 .0073
	O1 .0162 .0198 .75 .0137
	O2 .9439 .2683 .0143 .0125
	O3 .7850 .1144 .25 .0120
	O4 .6761 .3358 .0159 .0135
	O5 .5922 .1091 .25 .0128
	O6 .5928 .0181 .75 .0219
	O7 .8095 .1151 .75 .0114
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	Ilvaite
	Carrozzini B
	European Journal of Mineralogy 6 (1994) 465-479
	Crystal structure refinements of ilvaite: new relationships
	between chemical composition and crystallographic parameters
	Sample: Cinco Villas X-2
	_database_code_amcsd 0006537
	13.006 8.808 5.858 90 90.31 90 P2_1/a
	atom x y z occ Biso
	Ca .81287 .37026 .75330 .60
	FeM(1,1) .89018 .04952 .00719 .98 .54
	MgM(1,1) .89018 .04952 .00719 .02 .54
	FeM(1,2) .89003 .05202 .49290 .91 .52
	AlM(1,2) .89003 .05202 .49290 .09 .52
	FeM2 .94077 .74012 .24857 .90 .55
	MnM2 .94077 .74012 .24857 .10 .55
	Si1 .95951 .36858 .24920 .38
	Si2 .67950 .22718 .25221 .39
	O1 .00997 .02960 .73627 .74
	O(2,1) .93719 .27247 .01617 .59
	O(2,2) .93539 .27243 .48228 .56
	O3 .77758 .10909 .25666 .56
	O(4,1) .67137 .32746 .01901 .61
	O(4,2) .67059 .33169 .48166 .57
	O5 .58489 .10060 .25347 .53
	O6 .60186 .02562 .75206 .74
	O7 .79826 .10932 .74367 .56
	H .74387 .07248 .74665 3.53
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	Ilvaite
	Carrozzini B
	European Journal of Mineralogy 6 (1994) 465-479
	Crystal structure refinements of ilvaite: new relationships
	between chemical composition and crystallographic parameters
	Sample: Cinco Villas X-3
	_database_code_amcsd 0006538
	13.014 8.811 5.852 90 90.07 90 P2_1/a
	atom x y z occ Biso
	Ca .81281 .37027 .75054 .64
	FeM(1,1) .89015 .05056 .00723 .97 .54
	MgM(1,1) .89015 .05056 .00723 .02 .54
	FeM(1,2) .89004 .05102 .49284 .91 .54
	AlM(1,2) .89004 .05102 .49284 .09 .54
	FeM2 .94078 .74002 .24978 .90 .56
	MnM2 .94078 .74002 .24978 .10 .56
	Si1 .95959 .36858 .25003 .41
	Si2 .67946 .22716 .25048 .40
	O1 .01000 .02948 .74689 .90
	O(2,1) .93655 .27239 .01681 .61
	O(2,2) .93605 .27229 .48288 .58
	O3 .77749 .10947 .25167 .62
	O(4,1) .67091 .32906 .01912 .63
	O(4,2) .67074 .32998 .48142 .62
	O5 .58487 .10085 .25111 .53
	O6 .60170 .02555 .74962 .78
	O7 .79821 .10881 .74916 .63
	H .74548 .06407 .73988 2.04
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	Ilvaite
	Carrozzini B
	European Journal of Mineralogy 6 (1994) 465-479
	Crystal structure refinements of ilvaite: new relationships
	between chemical composition and crystallographic parameters
	Sample: Seriphos X-3.1
	_database_code_amcsd 0006539
	13.013 8.802 5.857 90 90.28 90 P2_1/a
	atom x y z occ Biso
	Ca .81274 .37021 .75348 .59
	FeM(1,1) .89014 .04958 .00758 .98 .51
	MgM(1,1) .89014 .04958 .00758 .02 .51
	FeM(1,2) .88993 .05222 .49237 .95 .52
	AlM(1,2) .88993 .05222 .49237 .05 .52
	FeM2 .94105 .74026 .24859 .98 .55
	MnM2 .94105 .74026 .24859 .02 .55
	Si1 .95956 .36897 .24916 .38
	Si2 .67934 .22717 .25225 .37
	O1 .00965 .03024 .73575 .63
	O(2,1) .93716 .27253 .01596 .55
	O(2,2) .93533 .27308 .48212 .57
	O3 .77743 .10920 .25698 .52
	O(4,1) .67110 .32749 .01885 .58
	O(4,2) .67040 .33146 .48210 .61
	O5 .58477 .10074 .25389 .52
	O6 .60150 .02631 .75219 .72
	O7 .79811 .10891 .74316 .57
	H .74290 .07049 .73277 2.16
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	Ilvaite
	Carrozzini B
	European Journal of Mineralogy 6 (1994) 465-479
	Crystal structure refinements of ilvaite: new relationships
	between chemical composition and crystallographic parameters
	Sample: Seriphos X-3.2
	_database_code_amcsd 0006540
	13.008 8.802 5.855 90 90.27 90 P2_1/a
	atom x y z occ Biso
	Ca .81274 .37022 .75346 .59
	FeM(1,1) .89013 .04965 .00750 .98 .55
	MgM(1,1) .89013 .04965 .00750 .02 .55
	FeM(1,2) .88993 .05218 .49243 .96 .51
	AlM(1,2) .88993 .05218 .49243 .05 .51
	FeM2 .94104 .74022 .24861 .92 .55
	MnM2 .94104 .74022 .24861 .01 .55
	CaM2 .94104 .74022 .24861 .03 .55
	Si1 .95961 .36890 .24914 .38
	Si2 .67941 .22729 .25224 .39
	O1 .00989 .03006 .73592 .68
	O(2,1) .93733 .27242 .01646 .56
	O(2,2) .93537 .27271 .48175 .57
	O3 .77729 .10923 .25667 .55
	O(4,1) .67143 .32756 .01891 .57
	O(4,2) .67057 .33168 .48184 .57
	O5 .58492 .10066 .25349 .56
	O6 .60174 .02627 .75230 .76
	O7 .79826 .10911 .74343 .60
	H .74494 .06949 .75518 2.41
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	Ilvaite
	Carrozzini B
	European Journal of Mineralogy 6 (1994) 465-479
	Crystal structure refinements of ilvaite: new relationships
	between chemical composition and crystallographic parameters
	Sample: Oridda X-2.3
	_database_code_amcsd 0006541
	12.993 8.825 5.846 90 90.03 90 P2_1/a
	atom x y z occ Biso
	Ca .81235 .36834 .75013 .90 .70
	Mn .81235 .36834 .75013 .09 .70
	Mg .81235 .36834 .75013 .01 .70
	FeM(1,1) .88978 .04999 .00708 .92 .56
	MnM(1,1) .88978 .04999 .00708 .07 .56
	MgM(1,1) .88978 .04999 .00708 .01 .56
	FeM(1,2) .88976 .05010 .49295 .92 .57
	MnM(1,2) .88976 .05010 .49295 .06 .57
	AlM(1,2) .88976 .05010 .49295 .01 .57
	FeM2 .94081 .73950 .24993 .64 .60
	MnM2 .94081 .73950 .24993 .36 .60
	Si1 .95813 .36819 .24996 .44
	Si2 .67920 .22555 .24996 .45
	O1 .00945 .02719 .74912 .92
	O(2,1) .93515 .27233 .01585 .67
	O(2,2) .93495 .27229 .48408 .68
	O3 .77630 .10594 .25002 .73
	O(4,1) .67140 .32857 .01843 .67
	O(4,2) .67154 .32878 .48137 .66
	O5 .58368 .10080 .25005 .62
	O6 .60346 .02419 .75038 .90
	O7 .79809 .11024 .74959 .66
	H .74640 .06418 .74611 5.98
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	Ilvaite
	Carrozzini B
	European Journal of Mineralogy 6 (1994) 465-479
	Crystal structure refinements of ilvaite: new relationships
	between chemical composition and crystallographic parameters
	Sample: Oridda X-3.3
	_database_code_amcsd 0006542
	13.006 8.842 5.844 90 90.19 90 P2_1/a
	atom x y z occ Biso
	Ca .81240 .37002 .75248 .96 .65
	Mn .81240 .37002 .75248 .02 .65
	Mg .81240 .37002 .75248 .01 .65
	FeM(1,1) .89018 .04958 .00673 .91 .54
	MnM(1,1) .89018 .04958 .00673 .08 .54
	FeM(1,2) .89011 .05121 .49363 .96 .54
	MnM(1,2) .89011 .05121 .49363 .04 .54
	AlM(1,2) .89011 .05121 .49363 .01 .54
	FeM2 .93992 .73912 .24874 .58 .58
	MnM2 .93992 .73912 .24874 .42 .58
	Si1 .95890 .36733 .24970 .41
	Si2 .67967 .22661 .25158 .40
	O1 .00947 .02678 .74135 .81
	O(2,1) .93675 .27156 .01537 .61
	O(2,2) .93547 .27193 .48362 .61
	O3 .77715 .10809 .25441 .60
	O(4,1) .67183 .32790 .01872 .58
	O(4,2) .67103 .33069 .48192 .60
	O5 .58430 .10168 .25225 .57
	O6 .60319 .02255 .75146 .87
	O7 .79794 .11001 .74613 .60
	H .74617 .06107 .75287 4.49
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	Ilvaite
	Carrozzini B
	European Journal of Mineralogy 6 (1994) 465-479
	Crystal structure refinements of ilvaite: new relationships
	between chemical composition and crystallographic parameters
	Sample: Oridda X-3.4
	Note: O(2,1) y-coordinate changed in order to match reported bond lengths
	_database_code_amcsd 0006543
	13.009 8.838 5.843 90 90.16 90 P2_1/a
	atom x y z occ Biso
	Ca .81294 .36997 .75199 .96 .60
	Mn .81294 .36997 .75199 .02 .60
	Mg .81294 .36997 .75199 .01 .60
	FeM(1,1) .89018 .04974 .00664 .92 .50
	MnM(1,1) .89018 .04974 .00664 .08 .50
	FeM(1,2) .89012 .05101 .49354 .95 .50
	MnM(1,2) .89012 .05101 .49354 .04 .50
	AlM(1,2) .89012 .05101 .49354 .01 .50
	FeM2 .93993 .73913 .24896 .58 .53
	MnM2 .93993 .73913 .24896 .42 .53
	Si1 .95888 .36741 .24976 .37
	Si2 .67969 .22656 .25131 .36
	O1 .00952 .02681 .74280 .80
	O(2,1) .93673 .27190 .01562 .54
	O(2,2) .93572 .27185 .48352 .58
	O3 .77704 .10783 .25363 .59
	O(4,1) .67167 .32807 .01898 .55
	O(4,2) .67129 .33032 .48157 .56
	O5 .58444 .10175 .25188 .54
	O6 .60307 .02253 .75122 .84
	O7 .79805 .11013 .74626 .58
	H .75081 .07153 .75901 5.49
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	Ilvaite
	Carrozzini B
	European Journal of Mineralogy 6 (1994) 465-479
	Crystal structure refinements of ilvaite: new relationships
	between chemical composition and crystallographic parameters
	Sample: Rio Marina X
	_database_code_amcsd 0006544
	13.012 8.809 5.849 90 90.02 90 P2_1/a
	atom x y z occ Biso
	Ca .81278 .37024 .75039 .64
	FeM(1,1) .89015 .05073 .00773 .97 .57
	MgM(1,1) .89015 .05073 .00773 .03 .57
	FeM(1,2) .89010 .05099 .49227 .96 .60
	AlM(1,2) .89010 .05099 .49227 .04 .60
	FeM2 .94082 .74010 .24982 .92 .61
	MnM2 .94082 .74010 .24982 .08 .61
	Si1 .95948 .36887 .24998 .42
	Si2 .67939 .22717 .25025 .43
	O1 .00995 .02989 .74868 .90
	O(2,1) .93619 .27203 .01701 .62
	O(2,2) .93611 .27192 .48285 .59
	O3 .77741 .10968 .25054 .63
	O(4,1) .67086 .32954 .01833 .64
	O(4,2) .67082 .33004 .48163 .63
	O5 .58484 .10091 .25027 .58
	O6 .60174 .02566 .75030 .80
	O7 .79840 .10925 .74904 .63
	H .74451 .06193 .74989 2.42
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	Ilvaite
	Ghose S, Hewat A W, Marezio M
	Physics and Chemistry of Minerals 11 (1984) 67-74
	A neutron powder diffraction study of the crystal and
	magnetic structures of ilvaite from 305 K to 5 K - a mixed
	valence iron silicate with an electronic transition
	Sample: T = 5 K
	_database_code_amcsd 0007361
	13.0229 8.7977 5.8428 90 90.234 90 P2_1/a
	atom x y z occ Biso
	Ca .8134 .3705 .7313 1.90
	FeM11 .8890 .0554 .0101 .48
	FeM12 .8896 .0470 .4944 .48
	FeM2 .9410 .7438 .2416 .925 .63
	MnM2 .9410 .7438 .2416 .075 .63
	Si1 .9649 .3681 .2223 .56
	Si2 .6792 .2291 .2561 .56
	O1 .0102 .0285 .7339 .90
	O21 .9379 .2731 .0111 .90
	O22 .9339 .2725 .4853 .90
	O5 .5857 .1030 .2607 .90
	O6 .6004 .0260 .7526 .90
	O3 .7784 .1086 .2639 .90
	O41 .6670 .3280 .0159 .90
	O42 .6716 .3368 .4790 .90
	O7 .7977 .1051 .7381 .90
	H .7336 .0610 .7386 1.48
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	Ilvaite
	Ghose S, Hewat A W, Marezio M
	Physics and Chemistry of Minerals 11 (1984) 67-74
	A neutron powder diffraction study of the crystal and
	magnetic structures of ilvaite from 305 K to 5 K - a mixed
	valence iron silicate with an electronic transition
	Sample: T = 80 K
	_database_code_amcsd 0007362
	13.0230 8.7994 5.8422 90 90.231 90 P2_1/a
	atom x y z occ Biso
	Ca .8128 .3693 .7364 1.67
	FeM11 .8888 .0553 .0088 .975 .48
	MnM11 .8888 .0553 .0088 .025 .48
	FeM12 .8889 .0471 .4920 .95 .48
	MnM12 .8889 .0471 .4920 .05 .48
	FeM2 .9413 .7426 .2437 .9 .52
	MnM2 .9413 .7426 .2437 .1 .52
	Si1 .9623 .3662 .2261 .80
	Si2 .6784 .2300 .2540 .80
	O1 .0098 .0291 .7319 1.01
	O21 .9380 .2730 .0139 1.01
	O22 .9343 .2750 .4863 1.01
	O5 .5853 .1028 .2606 1.01
	O6 .6006 .0248 .7525 1.01
	O3 .7781 .1087 .2586 1.01
	O41 .6676 .3307 .0167 1.01
	O42 .6726 .3334 .4770 1.01
	O7 .7956 .1047 .7380 1.01
	H .7375 .0605 .7412 1.62
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	Ilvaite
	Ghose S, Hewat A W, Marezio M
	Physics and Chemistry of Minerals 11 (1984) 67-74
	A neutron powder diffraction study of the crystal and
	magnetic structures of ilvaite from 305 K to 5 K - a mixed
	valence iron silicate with an electronic transition
	Sample: T = 150 K
	_database_code_amcsd 0007363
	13.0244 8.8006 5.8445 90 90.233 90 P2_1/a
	atom x y z occ Biso
	Ca .8141 .3683 .7489 2.49
	FeM11 .8883 .0520 .0101 .925 .66
	MnM11 .8883 .0520 .0101 .075 .66
	FeM12 .8904 .0502 .4891 .975 .66
	MnM12 .8904 .0502 .4891 .025 .66
	FeM2 .9414 .7444 .2496 .9 .54
	MnM2 .9414 .7444 .2496 .1 .54
	Si1 .9596 .3675 .2426 1.04
	Si2 .6773 .2296 .2471 1.04
	O1 .0066 .0262 .7319 1.46
	O21 .9376 .2727 .0117 1.46
	O22 .9333 .2731 .4856 1.46
	O5 .5855 .1036 .2584 1.46
	O6 .6002 .0271 .7520 1.46
	O3 .7776 .1078 .2562 1.46
	O41 .6684 .3312 .0162 1.46
	O42 .6721 .3311 .4789 1.46
	O7 .7961 .1060 .7425 1.46
	H .7377 .0607 .7378 2.04
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	Ilvaite
	Ghose S, Hewat A W, Marezio M
	Physics and Chemistry of Minerals 11 (1984) 67-74
	A neutron powder diffraction study of the crystal and
	magnetic structures of ilvaite from 305 K to 5 K - a mixed
	valence iron silicate with an electronic transition
	Sample: T = 305 K
	_database_code_amcsd 0007364
	13.0207 8.8121 5.8609 90 90.249 90 P2_1/a
	atom x y z occ Biso
	Ca .8092 .3662 .7558 1.63
	FeM11 .8890 .0494 .0095 .95 .63
	MnM11 .8890 .0494 .0095 .05 .63
	FeM12 .8900 .0548 .4903 .95 .63
	MnM12 .8900 .0548 .4903 .05 .63
	FeM2 .9406 .7396 .2481 .85 .00
	MnM2 .9406 .7396 .2481 .15 .00
	Si1 .9585 .3669 .2451 1.57
	Si2 .6785 .2260 .2464 1.57
	O1 .0085 .0306 .7309 1.57
	O21 .9348 .2736 .0106 1.57
	O22 .9363 .2751 .4795 1.57
	O5 .5854 .1004 .2605 1.57
	O6 .6006 .0214 .7543 1.57
	O3 .7770 .1098 .2545 1.57
	O41 .6721 .3277 .0191 1.57
	O42 .6709 .3320 .4771 1.57
	O7 .7963 .1069 .7492 1.57
	H .7355 .0621 .7402 3.06
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	Ilvaite
	Ghose S, Tsukimura K, Hatch D M
	Physics and Chemistry of Minerals 16 (1989) 483-496
	Phase transitions in ilvaite, a mixed-valence iron silicate
	II. A single-crystal X-ray diffraction study and Landau theory of the
	monoclinic to orthorhombic phase transition induced by charge delocalization
	Sample: T = 295 K
	_database_code_amcsd 0007453
	13.0387 8.8204 5.8640 90 90.266 90 P2_1/a
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	FeAo .89019 .04983 .00727 .0072 .0067 .0064 .0086 -.0002 -.0003 .0006
	FeAm .89004 .05172 .49272 .0067 .0060 .0061 .0080 -.0002 .0003 -.0004
	FeB .94063 .73996 .24886 .0076 .0081 .0061 .0087 -.0007 -.0001 -.0003
	Ca .81296 .37035 .75267 .0077 .0066 .0060 .0107 .0006 .0000 -.0001
	Si1 .95955 .36831 .24296 .0052 .0054 .0047 .0057 .0000 .0003 .0002
	Si2 .67949 .22724 .25156 .0053 .0047 .0055 .0058 .0002 .0001 .0001
	O1 .00986 .02900 .73935 .0102 .0079 .0095 .0134 .0017 -.0005 -.0002
	O2o .93712 .27206 .01614 .0076 .0090 .0069 .0072 -.0009 -.0003 -.0014
	O2m .93547 .27264 .48315 .0080 .0089 .0075 .0077 -.0011 -.0006 .0006
	O3 .77717 .10951 .25521 .0072 .0057 .0064 .0097 .0017 .0003 -.0001
	O4o .67137 .32852 .01910 .0078 .0087 .0069 .0079 .0000 .0004 .0007
	O4m .67068 .33130 .48206 .0080 .0086 .0075 .0080 .0000 .0005 -.0020
	O5 .58481 .10087 .25308 .0074 .0051 .0064 .0107 .0001 .0001 -.0017
	O6 .60193 .02508 .75216 .0104 .0075 .0065 .0174 -.0022 .0004 .0008
	OH7 .79767 .10973 .74510 .0077 .0069 .0082 .0081 .0011 .0009 .0001
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	Ilvaite
	Ghose S, Tsukimura K, Hatch D M
	Physics and Chemistry of Minerals 16 (1989) 483-496
	Phase transitions in ilvaite, a mixed-valence iron silicate
	II. A single-crystal X-ray diffraction study and Landau theory of the
	monoclinic to orthorhombic phase transition induced by charge delocalization
	Sample: T = 320 K
	_database_code_amcsd 0007454
	13.0398 8.8217 5.8644 90 90.244 90 P2_1/a
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	FeAo .89024 .05003 .00716 .0079 .0074 .0073 .0091 -.0001 -.0005 .0007
	FeAm .89007 .05154 .49299 .0076 .0072 .0068 .0088 -.0001 .0003 -.0007
	FeB .94058 .73980 .24900 .0085 .0089 .0070 .0096 -.0007 -.0001 -.0001
	Ca .81289 .37050 .75215 .0086 .0076 .0068 .0114 .0005 -.0001 .0000
	Si1 .95949 .36835 .24943 .0060 .0064 .0059 .0058 .0001 -.0001 -.0001
	Si2 .67946 .22724 .25129 .0059 .0060 .0055 .0063 .0006 .0001 -.0001
	O1 .00994 .02927 .74147 .0108 .0087 .0091 .0149 .0016 -.0010 .0002
	O2o .93690 .27210 .01664 .0084 .0095 .0089 .0070 -.0020 -.0012 .0018
	O2m .93553 .27220 .48305 .0080 .0096 .0071 .0074 -.0017 .0005 .0013
	O3 .77724 .10954 .25435 .0094 .0082 .0068 .0104 .0016 -.0003 -.0006
	O4o .67128 .32886 .01924 .0089 .0099 .0078 .0090 -.0005 -.0001 .0004
	O4m .67086 .33099 .48207 .0090 .0114 .0070 .0086 .0021 -.0005 -.0016
	O5 .58489 .10080 .25203 .0082 .0054 .0074 .0121 .0002 -.0004 -.0008
	O6 .60183 .02472 .75188 .0112 .0098 .0073 .0166 -.0018 .0002 .0003
	OH7 .79822 .10942 .74629 .0086 .0078 .0090 .0091 .0004 -.0004 .0008
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	Ilvaite
	Ghose S, Tsukimura K, Hatch D M
	Physics and Chemistry of Minerals 16 (1989) 483-496
	Phase transitions in ilvaite, a mixed-valence iron silicate
	II. A single-crystal X-ray diffraction study and Landau theory of the
	monoclinic to orthorhombic phase transition induced by charge delocalization
	Sample: T = 340 K
	_database_code_amcsd 0007455
	13.0466 8.8268 5.8647 90 90.124 90 P2_1/a
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	FeAo .89022 .05037 .00712 .0084 .0082 .0083 .0088 -.0001 -.0005 .0006
	FeAm .89011 .05127 .49289 .0081 .0080 .0079 .0085 -.0002 .0005 -.0008
	FeB .94053 .73975 .24935 .0089 .0097 .0081 .0091 -.0006 -.0001 -.0002
	Ca .81296 .37036 .75122 .0091 .0086 .0077 .0113 .0008 -.0001 -.0001
	Si1 .95950 .36829 .24980 .0060 .0065 .0061 .0055 .0001 -.0002 -.0002
	Si2 .67950 .22704 .25058 .0063 .0065 .0065 .0059 .0005 -.0003 .0000
	O1 .01030 .02886 .74514 .0118 .0101 .0106 .0149 .0025 -.0006 .0014
	O2o .93663 .27240 .01596 .0085 .0097 .0097 .0062 -.0014 .0001 -.0012
	O2m .93591 .27184 .48365 .0086 .0110 .0097 .0053 -.0012 -.0002 .0015
	O3 .77721 .10951 .25205 .0086 .0079 .0081 .0101 .001 .0003 .0001
	O4o .67103 .32924 .01881 .0091 .0105 .0092 .0077 .0002 .0004 .0006
	O4m .67094 .33020 .48194 .0093 .0112 .0094 .0076 .0007 -.0005 -.0020
	O5 .58484 .10095 .25066 .0089 .0079 .0089 .0099 .0011 -.0003 .0001
	O6 .60165 .02469 .75094 .0116 .0103 .0093 .0154 -.0024 .0005 .0007
	OH7 .79813 .10918 .74803 .0087 .0091 .0088 .0085 .0006 -.0003 -.0008
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	Ilvaite
	Ghose S, Tsukimura K, Hatch D M
	Physics and Chemistry of Minerals 16 (1989) 483-496
	Phase transitions in ilvaite, a mixed-valence iron silicate
	II. A single-crystal X-ray diffraction study and Landau theory of the
	monoclinic to orthorhombic phase transition induced by charge delocalization
	Sample: T = 360 K
	_database_code_amcsd 0007456
	13.0497 8.8291 5.8652 90 90.029 90 P2_1/a
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	FeAo .89027 .05067 .00689 .0095 .0109 .0087 .0090 -.0001 -.0008 .0009
	FeAm .89017 .05094 .49302 .0092 .0107 .0085 .0086 -.0003 .0004 -.0005
	FeB .94047 .73949 .24974 .0102 .0128 .0087 .0093 -.0007 -.0003 -.0002
	Ca .81298 .37052 .75032 .0102 .0112 .0082 .0114 .0010 -.0006 .0000
	Si1 .95956 .36835 .24987 .0069 .0089 .0068 .0052 .0000 -.0002 -.0004
	Si2 .67949 .22708 .25028 .0072 .0092 .0071 .0055 .0003 -.0004 .0003
	O1 .00982 .02881 .74902 .0137 .0146 .0116 .0149 .0004 .0000 -.0003
	O2o .93645 .27245 .01641 .0093 .0124 .0102 .0053 -.0013 .0006 -.0014
	O2m .93615 .27195 .48393 .0090 .0121 .0102 .0049 -.0005 -.0008 .0015
	O3 .77704 .10967 .25046 .0096 .0102 .0092 .0097 .0019 -.0005 -.0006
	O4o .67093 .32970 .01853 .0096 .0117 .0091 .0082 .0003 .0000 .0013
	O4m .67097 .32959 .48165 .0104 .0127 .0110 .0076 .0008 -.0001 -.0026
	O5 .58527 .10120 .25028 .0094 .0105 .0071 .0109 .0017 .0004 -.0006
	O6 .60194 .02447 .74977 .0128 .0129 .0102 .0154 -.0028 -.0003 -.0004
	OH7 .79794 .10926 .74962 .0097 .0113 .0090 .0090 .0014 .0007 .0010
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	Ilvaite
	Ghose S, Tsukimura K, Hatch D M
	Physics and Chemistry of Minerals 16 (1989) 483-496
	Phase transitions in ilvaite, a mixed-valence iron silicate
	II. A single-crystal X-ray diffraction study and Landau theory of the
	monoclinic to orthorhombic phase transition induced by charge delocalization
	Sample: T = 380 K
	_database_code_amcsd 0007457
	13.05330 8.83450 5.86740 90 90 90 Pnam
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	FeAo .89027 .05075 .00665 .0089 .0087 .0087 .0094 -.0001 -.0007 .0008
	FeB .94035 .73943 .25 .0095 .0106 .0086 .0095 -.0006 0 0
	Ca .81299 .37056 .75 .0097 .0089 .0082 .0121 .0007 0 0
	Si1 .95958 .36809 .25 .0063 .0068 .0067 .0055 .0001 0 0
	Si2 .67942 .22704 .25 .0063 .0067 .0068 .0057 .0006 0 0
	O1 .01020 .02930 .75 .0131 .0137 .0112 .0144 .0003 0 0
	O2o .93631 .27187 .01664 .0091 .0104 .0098 .0072 -.0013 -.0001 -.0017
	O3 .77705 .10968 .25 .0094 .0097 .0088 .0097 .0011 0 0
	O4o .67107 .32947 .01850 .0098 .0107 .0108 .0080 .0001 .0004 .0016
	O5 .58481 .10132 .25 .0089 .0083 .0091 .0095 .0005 0 0
	O6 .60190 .02427 .75 .0127 .0116 .0089 .0177 -.0029 0 0
	OH7 .79761 .10879 .75 .0088 .0090 .0094 .0081 .0015 0 0
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	Ilvaite
	Ghose S, Tsukimura K, Hatch D M
	Physics and Chemistry of Minerals 16 (1989) 483-496
	Phase transitions in ilvaite, a mixed-valence iron silicate
	II. A single-crystal X-ray diffraction study and Landau theory of the
	monoclinic to orthorhombic phase transition induced by charge delocalization
	Sample: T = 400 K
	_database_code_amcsd 0007458
	13.0531 8.8344 5.8692 90 90 90 Pnam
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	FeAo .89033 .05069 .00646 .0093 .0093 .0090 .0097 -.0002 -.0008 .0010
	FeB .94032 .73939 .25 .0101 .0111 .0090 .0104 -.0007 0 0
	Ca .81294 .37062 .75 .0102 .0095 .0085 .0127 .0009 0 0
	Si1 .95960 .36816 .25 .0065 .0071 .0068 .0059 0 0 0
	Si2 .67956 .22704 .25 .0067 .0072 .0069 .0062 .0008 0 0
	O1 .01034 .02908 .75 .0131 .0139 .0113 .0143 .0014 0 0
	O2o .93618 .27203 .01676 .0094 .0120 .0093 .0071 -.0023 -.0007 -.0019
	O3 .77722 .10929 .25 .0094 .0076 .0094 .0113 .0020 0 0
	O4o .67096 .32975 .01886 .0104 .0118 .0098 .0098 .0006 .0007 .0015
	O5 .58469 .10115 .25 .0092 .0076 .0084 .0118 .0005 0 0
	O6 .60171 .02444 .75 .0133 .0122 .0096 .0183 -.0027 0 0
	OH7 .79764 .10918 .75 .0095 .0105 .0095 .0088 .0005 0 0
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	Ilvaite
	Beran A, Bittner H
	Tschermaks Mineralogische und Petrographische Mitteilungen 21 (1974) 11-29
	Untersuchungen zur kristallchemie des ilvaits
	_database_code_amcsd 0015644
	8.800 13.019 5.852 90 90 90 Pbnm
	atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Fe1 .05099 .11001 .00789 .0015 .0007 .0038 .0000 .0003 .0000
	Fe2 .74029 .05888 .25 .0020 .0009 .0053 -.0001 0 0
	Ca .37056 .18712 .75 .0018 .0010 .0057 -.0001 0 0
	Si1 .36913 .04051 .25 .0014 .0010 .0016 -.0001 0 0
	Si2 .22740 .32012 .25 .0025 .0005 .0044 -.0002 0 0
	O1 .0303 -.0092 .75 .0027 .0015 .0101 -.0005 0 0
	O2 .2731 .0642 .0182 .0016 .0011 .0034 .0001 .0009 -.0013
	O3 .1086 .2212 .25 .0012 .0010 .0085 .0000 0 0
	O4 .3287 .3293 .0200 .0022 .0007 .0074 -.0002 -.0001 -.0005
	O5 .1020 .4160 .25 .0022 .0011 .0001 .0002 0 0
	O6 .0269 .3987 .75 .0042 .0004 .0132 .0000 0 0
	OH7 .1097 .2034 .75 .0033 .0003 .0043 .0000 0 0
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