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