American Mineralogist Crystal Structure Database

8 matching records for this search.

Ilvaite
Download hom/ilvaite.pdf
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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View JMOL 3-D Structure (permalink)
 
Ilvaite
Download hom/ilvaite.pdf
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ilvaite
Download hom/ilvaite.pdf
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ilvaite
Download hom/ilvaite.pdf
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ilvaite
Download hom/ilvaite.pdf
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ilvaite
Download hom/ilvaite.pdf
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ilvaite
Download hom/ilvaite.pdf
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ilvaite
Download hom/ilvaite.pdf
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 8
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