|
Boracite |
 |
Sueno S, Clark J R, Papike J J, Konnert J A |
 |
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Boracite |
|
Ito T, Morimoto N, Sadanaga R |
 |
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Boracite |
|
Ito T, Morimoto N, Sadanaga R |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Boracite |
|
Dowty E, Clark J R |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Boracite |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
Multiple datasets can be concatenated into a single downloadable file by selecting the datasets and then clicking
Multiple datasets can be downloaded as individual files inside a ZIP archive by selecting the datasets and then clicking
Total number of retrieved datasets: 