American Mineralogist Crystal Structure Database

1 matching records for this search.

CaBa2(HPO4)2(H2PO4)2
 
Toumi M, Chabchoub S, Smiri-Dogguy L, Laligant Y
 
European Journal of Solid State and Inorganic Chemistry 34 (1997) 1249-1257
Ab-initio powder structure determination of CaBa2(HPO4)2(H2PO4)2:
a new phosphate with a M(T$-Phi4)4 chain structure
_cod_database_code 1000440
_database_code_amcsd 0012618
12.3872 10.2046 5.4946 90 100.767 90 P2_1/a
atom     x      y      z
Ba1  .3236  .1559  .1422
Ca1     .5     .5      0
P1   .0508  .3063  .7581
P2   .2019 -.0082  .5832
O1   .1753  .3103  .8156
O2   .0243  .2616  .4822
O3   .2180  .8383  .5066
O4   .0061  .4604  .7289
O5    .314  .0669  .6233
O6   .1239  .0516  .3452
O7   .0034  .2353 -.0497
O8   .1543 -.0089  .8178
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