American Mineralogist Crystal Structure Database

5 matching records for this search.

Boracite
Download hom/boracite.pdf
Sueno S, Clark J R, Papike J J, Konnert J A
Download am/vol58/AM58_691.pdf
American Mineralogist 58 (1973) 691-697
Crystal-structure refinement of cubic boracite
Note: This is a high-temperature phase of boracite
Locality: Solvayshall, Roschwitz, Germany
T = 400 C
_database_code_amcsd 0000382
12.0986 12.0986 12.0986 90 90 90 F-43c
atom     x     y     z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg       0   .25   .25  .0111  .0015  .0015      0      0      0
B1     .25     0     0  .0007  .0011  .0011      0      0      0
B2   .0808 .0808 .0808  .0019  .0019  .0019  .0010  .0010  .0010
O1       0     0     0  .0018  .0018  .0018      0      0      0
O2   .0987 .0214 .1821  .0011  .0016  .0011  .0005  .0003  .0004
Cl     .25   .25   .25  .0054  .0054  .0054      0      0      0
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Boracite
Download hom/boracite.pdf
Ito T, Morimoto N, Sadanaga R
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0365-110X&volume=4&spage=310
Acta Crystallographica 4 (1951) 310-316
The crystal structure of boracite
Locality: Stassfurt, Germany
_database_code_amcsd 0019539
8.54 8.54 12.07 90 90 90 *Pca2_1
.25 .25 0
atom    x     y     z
Mg1    .5     0  .981
Mg2  .231 -.269   .25
Mg3  .231  .269   .25
B11   .25 -.250     0
B12     0     0   .25
B13  -.25  .250     0
B21    .5  .330  .415
B22    .5 -.330  .415
B23  .170     0  .085
B24  .170     0 -.415
O1      0     0     0
O21  .082 -.278  .479
O22  .159  .201  .402
O23  .077 -.119  .320
O24  .418  .222  .479
O25  .341 -.299  .402
O26  .423  .381  .320
O27  .119  .076  .180
O28  .201 -.159  .098
O29  .222 -.418  .021
O210 .381 -.423  .180
O211 .299  .341  .098
O212 .278  .082  .021
Cl   .524     0  .262
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Boracite
Download hom/boracite.pdf
Ito T, Morimoto N, Sadanaga R
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0365-110X&volume=4&spage=310
Acta Crystallographica 4 (1951) 310-316
The crystal structure of boracite
Note: high boracite
Note: T = 300 C
Locality: Stassfurt, Germany
_database_code_amcsd 0019540
12.1 12.1 12.1 90 90 90 F-43c
atom    x    y    z
Mg    .25  .25    0
B1    .25    0    0
B2   .085 .085 .085
O1      0    0    0
O2   .021 .098 .180
Cl    .25  .25  .25
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Boracite
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Dowty E, Clark J R
Download zk/vol138/ZK138_64.pdf
Zeitschrift fur Kristallographie 138 (1973) 64-99
Crystal-structure refinements for orthorhombic boracite,
Mg3B7O13Cl, and a trigonal, iron-rich analogue
Locality: Solvayshall, Roschwitz, Germany
Note: [.25 .25 0] added to all atoms to move origin to screw axis
_database_code_amcsd 0010744
8.5496 8.5496 12.0910 90 90 90 Pca2_1
atom     x     y     z Biso B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Mg1  .2417 .7488 .4770  .59  .0015  .0013  .0016 -.00005  .00006  -.0002
Mg2  .4851 .9704 .2537  .62  .0023  .0021  .0010   .0009  .00003  -.0002
Mg3  .4850 .5284 .2514  .59  .0024  .0021  .0008  -.0009   .0002  -.0001
B11  .4982 .9983 .5018  .26  .0012  .0007  .0004   .0004  -.0004  -.0003
B12  .2560 .2487 .2488  .43  .0012  .0012  .0010  -.0003  -.0004   .0003
B13  .4981 .5023 .5016  .46  .0017  .0013  .0011   .0000   .0001   .0002
B21  .2523 .4037 .4202  .46  .0011  .0007  .0015   .0002   .0001   .0007
B22  .2535 .0964 .4224  .50  .0022  .0013  .0000   .0000  -.0003   .0005
B23  .4053 .2499 .5735  .50  .0014  .0013  .0002   .0007   .0001  -.0005
B3   .5472 .7500 .6012  .51  .0021  .0012  .0010   .0001  -.0005   .0001
O1   .2673 .2493 .4914  .40  .0015  .0008  .0009   .0004  -.0003  -.0002
O21  .3324 .9718 .4794  .34  .0007  .0013  .0007  -.0002  -.0002  -.0002
O22  .4106 .4607 .4019  .39  .0015  .0018  .0004  -.0003   .0003   .0002
O23  .3289 .1253 .3156  .41  .0013  .0014  .0008   .0002   .0000   .0002
O24  .1643 .5201 .4813  .41  .0013  .0011  .0009  -.0001  -.0001  -.0003
O25  .0896 .0572 .4059  .44  .0008  .0013  .0012  -.0004   .0000   .0001
O26  .1770 .3653 .3172  .50  .0017  .0015  .0010   .0005  -.0002  -.0002
O27  .3830 .3301 .1865  .38  .0018  .0014  .0004  -.0005   .0003  -.0003
O28  .5385 .9113 .6066  .52  .0019  .0006  .0014   .0003   .0000   .0002
O29  .5337 .1629 .5226  .29  .0017  .0008  .0002  -.0001   .0001  -.0003
O210 .3609 .1743 .6764  .33  .0016  .0010  .0004   .0004   .0000   .0001
O211 .4504 .4097 .5965  .35  .0016  .0011  .0005  -.0001  -.0001   .0000
O212 .4575 .6706 .5261  .45  .0017  .0010  .0009   .0000  -.0004  -.0001
Cl   .2741 .7494 .2618  .92  .0035  .0028  .0016  .00006  .00008 -.00006
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Boracite
Download hom/boracite.pdf
Mehmel M
 
Fortschritte der Mineralogie 17 (1932) 436-438
Kristallstrukturelle Untersuchungen an Borazit
Locality: synthetic
Note: this is the high-temperature modification
_cod_database_code 1011284
_database_code_amcsd 0018134
12.1 12.1 12.1 90 90 90 F-43c
atom     x     y     z
Mg     .25     0     0
B1     .25   .25     0
B2   .3667 .3667 .3667
O1     .25   .25   .25
O2    .308  .336  .458
Cl       0     0     0
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Download CIF data (View Text File)
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View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 5
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