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