American Mineralogist Crystal Structure Database

4 matching records for this search.

Barberiite
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Caron A P, Ragle J L
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=27&spage=1102
Acta Crystallographica B27 (1971) 1102-1107
Refinement of the structure of orthorhombic ammonium tetrafluoroborate, NH4BF4
Locality: synthetic
_database_code_amcsd 0019268
9.077 5.679 7.279 90 90 90 Pnma
atom      x     y     z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
F1    .0752   .25 .6111  .0112  .0505  .0301      0  .0197      0
F2    .8283   .25 .5637  .0159  .0368  .0139      0 -.0118      0
F3    .9241 .0517 .8030  .0139  .0237  .0163  .0014 -.0007  .0078
B     .9403   .25 .6931  .0095  .0238  .0107      0  .0005      0
N     .3140   .25 .3360  .0072  .0274  .0118      0 -.0004      0
H1     .225   .25  .346
H2     .327   .25  .234
H3     .346  .121  .372
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Barberiite
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Clark M J R, Lynton H
 
Canadian Journal of Chemistry 47 (1969) 2579-2586
Crystal structures of potassium, ammonium, rubidium and cesium
tetrafluoroborates
Locality: synthetic
_database_code_amcsd 0012155
7.278 9.072 5.678 90 90 90 Pbnm
atom      x       y      z B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
NH4  .16420  .18539    .25 .01000 .00586 .02083 -.00048 -.00108 -.00015
B    .69207  .06051    .25 .00689 .00533 .01286 -.00045  .00275 -.00118
F1   .61017 -.07653    .25 .02616 .00961 .04406 -.01015  .00249 -.00034
F2   .56426  .17280    .25 .01227 .01261 .03382  .00602 -.00155 -.00083
F3   .80393  .07559 .04994 .01448 .01006 .01595  .00124  .00377  .00021
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Barberiite
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van Rensburg D J J, Boeyens J C A
 
Journal of Solid State Chemistry 5 (1972) 79-84
The crystal structure of ammonium tetrafluoroborate IV at 140 K
Locality: synthetic
Sample: T = 140 K
Note: x(H2), y(H2) adjusted to match reported bond lengths
_database_code_amcsd 0013299
7.243 8.808 5.908 90 90 90 Pbnm
atom     x     y     z  Biso
N    .1714 .1843   .25  .704
H1   .1300 .2900   .25 3.000
H2   .2890 .1980   .25 3.000
H3   .1000 .1500   .08 3.000
B    .6905 .0722   .25 1.223
F1   .5822 .9403   .25 2.406
F2   .5764 .2019   .25 1.571
F3    .806 .0768 .0527 1.469
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Barberiite
Download hom/barberiite.pdf
Hoard J, Blair V
 
Journal of the American Chemical Society 57 (1935) 1985-1988
The crystal structures of rubidium and ammonium fluoborates
_cod_database_code 1011135
_database_code_amcsd 0018024
9.06 5.64 7.23 90 90 90 Pnma
atom    x    y    z
NH4  .308  .25 .328
B1   .947  .25 .697
F1   .086  .25 .603
F2    .83  .25 .563
F3   .936 .043 .811
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View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 4
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