Beraunite
Moore P B, Kampf A R
Zeitschrift fur Kristallographie 201 (1992) 263-281
Beraunite: Refinement, comparative crystal chemistry, and selected bond valences
Locality: Campanian age marls of Mullica Hill, New Jersey, USA
_database_code_amcsd 0019158
20.953 5.171 19.266 90 93.34 90 C2/c
atom         x      y      z Biso
Fe(1)        0      0      0  .73
Fe(2)      .25    .25      0  .68
Fe(3)   .04430  .2847 .17278  .62
Fe(4)   .10813  .0389 .41529  .64
O-OH(1)  .0074  .0405  .3913  .78
H-OH(1)   .002    .89   .379   .8
O-OH(2)  .1926  .0219  .4620 1.06
H-OH(2)   .194    .10   .481  1.0
H-OH(3)      0   -.10    .25
O-OH(3)      0  .1142    .25  .90
OW(1)    .3841  .4915  .3192 1.89
HW(1a)    .386    .38   .313  1.8
HW(1b)    .379    .50   .291
OW(2)    .2472  .0857  .0988 1.38
HW(2a)    .243    .19   .134  1.3
HW(2b)    .286    .02   .108  1.3
OW(3)    .2318  .3639  .2165 3.10
HW(3a)    .206    .40   .211  2.9
HW(3b)    .230    .29   .225
P(1)    .10518  .4743 .02374  .51
O(1)     .1779  .4837  .0161  .74
O(2)     .4245  .2515  .0199  .76
O(3)     .4234  .2327  .5039  .82
O(4)     .0906  .4418  .1000 1.09
P(2)    .40726 .04656 .18157  .60
O(5)     .4788  .0525  .1667  .82
O(6)     .1004  .4930  .2404  .97
O(7)     .3783  .3136  .1638  .88
O(8)     .1294  .3431  .3626  .98