Arrojadite-(KFe)
Krutik V M, Pushcharovskii D Y, Podebimskaya E A, Belov N V
Kristallografiya 24 (1979) 743-750
Crystal structure of arrojadite
Locality: Nickel Plate mine, South Dakota, USA
_database_code_amcsd 0014185
16.476 24.581 9.996 90 90 105.79 B2/b
atom     x      y      z occ Biso
FeX1 .4664  .6001  .2550      .84
FeX2 .4783  .5969  .7497     1.42
FeX3 .2958  .6478  .2986     1.12
FeX4 .2816  .6570  .7057     1.58
MnX5 .2882  .7327 -.0113     1.02
FeX6 .3936  .3601  .0155      .86
FeX7 .2218  .4761  .3920     1.52
AlX8     0      0      0      .85
NaA1     0    .25 -.0018 .25  .71
KA1      0    .25 -.0018 .25  .71
BaA1     0    .25 -.0018 .25  .71
SrA1     0    .25 -.0018 .25  .71
NaA2    .5     .5      0     1.81
NaA3 .1331  .1207  .0155  .5  .89
CaA3 .1331  .1207  .0155  .5  .89
P1   .3734  .4606  .2512      .37
P2   .3694  .5765  .5340      .51
P3   .3569  .2946  .3004      .64
P4   .3704  .2879  .7260      .47
P5   .3864  .6298 -.0102     2.12
P6   .3981  .4523  .7684      .55
O1   .3913  .5197  .1878      .94
O2   .2766  .4363  .2568     1.46
O3   .4146  .4236  .1662      .70
O4   .4043  .4631  .3958      .68
O5   .2908  .0285  .4631     1.64
O6   .1201  .3904  .0975     1.24
O7   .3703  .6138  .6580     1.06
O8   .4491  .5549  .5561      .47
O9   .4414  .3348  .3465     1.10
O10  .2824  .3170  .3583     1.49
O11  .3491  .2354  .3548     1.83
O12  .3518  .2941  .1418      .85
O13  .4534  .3293  .6754     1.18
O14  .2938  .3062  .6665     1.29
O15  .3683  .2291  .6744     1.14
O16  .1298  .2105  .3813     1.86
O17  .3882  .6380  .1392     1.10
O18  .4748  .1320  .0630      .89
O19  .3545  .1765  .0799     2.04
O20  .3179  .0741  .0405 .34 4.05
OH20 .3179  .0741  .0405 .33 4.05
F20  .3179  .0741  .0405 .33 4.05
O21  .0457  .0486  .1463      .49
O22  .0640  .0800  .3704      .79
O23  .1952  .0766  .2340     1.02
O24  .4053  .0133  .1853 .34 1.02
OH24 .4053  .0133  .1853 .33 1.02
F24  .4053  .0133  .1853 .33 1.02
F25  .2311  .1392  .4979     1.41