Bementite
Heinrich A R, Eggleton R A, Guggenheim S
American Mineralogist 79 (1994) 91-106
Structure and polytypism of bementite, a modulated layer silicate
_database_code_amcsd 0001635
14.838 17.584 14.700 90 95.54 90 P2_1/c
atom    x    y     z  occ Biso
Si1  .921 .467  .199        .6
Si2  .719 .451  .208        .6
Si3  .556 .564  .184        .6
Si4  .990 .626  .170        .6
Si5  .845 .744  .149        .6
Si6  .640 .730  .164        .6
Si7  .494 .843  .160        .6
Si8  .568 .999  .189        .6
Si9  .768 .017  .204        .6
Si10 .299 .807  .173        .6
Si11 .184 .663  .177        .6
Si12 .930 .906  .176        .6
Mn1     0    0     0  .95   .8
Mn2  .224 .025 -.008  .79   .8
Mn3  .434 .069  .023  .96   .8
Mn4  .643 .123  .022  .96   .8
Mn5  .854 .139  .028  .98   .8
Mn6  .081 .176  .045  .85   .8
Mn7  .284 .225  .072        .8
Mn8  .493 .255  .035  .88   .8
Mn9  .723 .293  .038        .8
Mn10 .941 .316  .042        .8
Mn11 .139 .355  .041        .8
Mn12 .359 .397  .002  .99   .8
Mn13 .580 .429  .021        .8
Mn14 .797 .450  .001        .8
Mn15    0    0    .5  .96   .8
O1    .82  .49   .21       1.2
O2    .99  .54   .21       1.2
O3    .96  .41   .28       1.2
O4    .64  .51   .23       1.2
O5    .46  .56   .23       1.2
O6    .59  .65   .20       1.2
O7    .75  .74   .19       1.2
O8    .90  .67   .20       1.2
O9    .90  .82   .19       1.2
O10   .86  .96   .22       1.2
O11   .67  .97   .22       1.2
O12   .49  .93   .19       1.2
O13   .58  .80   .20       1.2
O14   .41  .80   .19       1.2
O15   .24  .74   .21       1.2
O16   .08  .67   .21       1.2
O17   .77  .09   .28       1.2
O18   .73  .39   .29       1.2
O19   .92  .92   .07       1.2
O20   .69  .88   .00       1.2
O21   .49  .85   .05       1.2
O22   .28  .81   .06       1.2
O23   .05  .79   .01       1.2
O24   .83  .75   .04       1.2
O25   .63  .73   .05       1.2
O26   .41  .68   .03       1.2
O27   .18  .65   .07       1.2
O28   .98  .62   .06       1.2
O29   .77  .57   .04       1.2
O30   .54  .54   .08       1.2
O31   .33  .51   .07       1.2
O32   .12  .47   .08       1.2
O33   .92  .43   .09       1.2
O34   .70  .41   .11       1.2
O35   .48  .37   .08       1.2
O36   .28  .34   .11       1.2
O37   .06  .29   .13       1.2
O38   .84  .24   .08       1.2
O39   .63  .22   .10       1.2
O40   .41  .17   .09       1.2
O41   .21  .12   .10       1.2
O42   .98  .10   .07       1.2
O43   .76  .06   .10       1.2
O44   .56  .03   .09       1.2
O45   .35  .98   .07       1.2
O46   .13  .96   .06       1.2