| | Lattice
coordinates | | Cartesian
coordinates | Wyckoff position | Atom type |
| B1 | = | 0 | = | 0 | (4a) | Li I |
|
B2 | = | x2a1+x2a2+x2a3 | = | ax2x^+ax2y^+ax2z^ | (16e) | Li II |
|
B3 | = | x2a1+x2a2−3x2a3 | = | −ax2x^−ax2y^+ax2z^ | (16e) | Li II |
|
B4 | = | x2a1−3x2a2+x2a3 | = | −ax2x^+ax2y^−ax2z^ | (16e) | Li II |
|
B5 | = | −3x2a1+x2a2+x2a3 | = | ax2x^−ax2y^−ax2z^ | (16e) | Li II |
|
B6 | = | x3a1+x3a2+x3a3 | = | ax3x^+ax3y^+ax3z^ | (16e) | Li III |
|
B7 | = | x3a1+x3a2−3x3a3 | = | −ax3x^−ax3y^+ax3z^ | (16e) | Li III |
|
B8 | = | x3a1−3x3a2+x3a3 | = | −ax3x^+ax3y^−ax3z^ | (16e) | Li III |
|
B9 | = | −3x3a1+x3a2+x3a3 | = | ax3x^−ax3y^−ax3z^ | (16e) | Li III |
|
B10 | = | x4a1+x4a2+x4a3 | = | ax4x^+ax4y^+ax4z^ | (16e) | Li IV |
|
B11 | = | x4a1+x4a2−3x4a3 | = | −ax4x^−ax4y^+ax4z^ | (16e) | Li IV |
|
B12 | = | x4a1−3x4a2+x4a3 | = | −ax4x^+ax4y^−ax4z^ | (16e) | Li IV |
|
B13 | = | −3x4a1+x4a2+x4a3 | = | ax4x^−ax4y^−ax4z^ | (16e) | Li IV |
|
B14 | = | x5a1+x5a2+x5a3 | = | ax5x^+ax5y^+ax5z^ | (16e) | Li V |
|
B15 | = | x5a1+x5a2−3x5a3 | = | −ax5x^−ax5y^+ax5z^ | (16e) | Li V |
|
B16 | = | x5a1−3x5a2+x5a3 | = | −ax5x^+ax5y^−ax5z^ | (16e) | Li V |
|
B17 | = | −3x5a1+x5a2+x5a3 | = | ax5x^−ax5y^−ax5z^ | (16e) | Li V |
|
B18 | = | x6a1+x6a2+x6a3 | = | ax6x^+ax6y^+ax6z^ | (16e) | Li VI |
|
B19 | = | x6a1+x6a2−3x6a3 | = | −ax6x^−ax6y^+ax6z^ | (16e) | Li VI |
|
B20 | = | x6a1−3x6a2+x6a3 | = | −ax6x^+ax6y^−ax6z^ | (16e) | Li VI |
|
B21 | = | −3x6a1+x6a2+x6a3 | = | ax6x^−ax6y^−ax6z^ | (16e) | Li VI |
|
B22 | = | x7a1+x7a2+x7a3 | = | ax7x^+ax7y^+ax7z^ | (16e) | Li VII |
|
B23 | = | x7a1+x7a2−3x7a3 | = | −ax7x^−ax7y^+ax7z^ | (16e) | Li VII |
|
B24 | = | x7a1−3x7a2+x7a3 | = | −ax7x^+ax7y^−ax7z^ | (16e) | Li VII |
|
B25 | = | −3x7a1+x7a2+x7a3 | = | ax7x^−ax7y^−ax7z^ | (16e) | Li VII |
|
B26 | = | x8a1+x8a2+x8a3 | = | ax8x^+ax8y^+ax8z^ | (16e) | Pb I |
|
B27 | = | x8a1+x8a2−3x8a3 | = | −ax8x^−ax8y^+ax8z^ | (16e) | Pb I |
|
B28 | = | x8a1−3x8a2+x8a3 | = | −ax8x^+ax8y^−ax8z^ | (16e) | Pb I |
|
B29 | = | −3x8a1+x8a2+x8a3 | = | ax8x^−ax8y^−ax8z^ | (16e) | Pb I |
|
B30 | = | x9a1+x9a2+x9a3 | = | ax9x^+ax9y^+ax9z^ | (16e) | Pb II |
|
B31 | = | x9a1+x9a2−3x9a3 | = | −ax9x^−ax9y^+ax9z^ | (16e) | Pb II |
|
B32 | = | x9a1−3x9a2+x9a3 | = | −ax9x^+ax9y^−ax9z^ | (16e) | Pb II |
|
B33 | = | −3x9a1+x9a2+x9a3 | = | ax9x^−ax9y^−ax9z^ | (16e) | Pb II |
|
B34 | = | −x10a1+x10a2+x10a3 | = | ax10x^ | (24f) | Li VIII |
|
B35 | = | x10a1−x10a2−x10a3 | = | −ax10x^ | (24f) | Li VIII |
|
B36 | = | x10a1−x10a2+x10a3 | = | ax10y^ | (24f) | Li VIII |
|
B37 | = | −x10a1+x10a2−x10a3 | = | −ax10y^ | (24f) | Li VIII |
|
B38 | = | x10a1+x10a2−x10a3 | = | ax10z^ | (24f) | Li VIII |
|
B39 | = | −x10a1−x10a2+x10a3 | = | −ax10z^ | (24f) | Li VIII |
|
B40 | = | −x11a1+x11a2+x11a3 | = | ax11x^ | (24f) | Pb III |
|
B41 | = | x11a1−x11a2−x11a3 | = | −ax11x^ | (24f) | Pb III |
|
B42 | = | x11a1−x11a2+x11a3 | = | ax11y^ | (24f) | Pb III |
|
B43 | = | −x11a1+x11a2−x11a3 | = | −ax11y^ | (24f) | Pb III |
|
B44 | = | x11a1+x11a2−x11a3 | = | ax11z^ | (24f) | Pb III |
|
B45 | = | −x11a1−x11a2+x11a3 | = | −ax11z^ | (24f) | Pb III |
|
B46 | = | −(x12−21)a1+x12a2+x12a3 | = | ax12x^+41ay^+41az^ | (24g) | Li IX |
|
B47 | = | x12a1−(x12−21)a2−(x12−21)a3 | = | −a(x12−21)x^+41ay^+41az^ | (24g) | Li IX |
|
B48 | = | x12a1−(x12−21)a2+x12a3 | = | 41ax^+ax12y^+41az^ | (24g) | Li IX |
|
B49 | = | −(x12−21)a1+x12a2−(x12−21)a3 | = | 41ax^−a(x12−21)y^+41az^ | (24g) | Li IX |
|
B50 | = | x12a1+x12a2−(x12−21)a3 | = | 41ax^+41ay^+ax12z^ | (24g) | Li IX |
|
B51 | = | −(x12−21)a1−(x12−21)a2+x12a3 | = | 41ax^+41ay^−a(x12−21)z^ | (24g) | Li IX |
|
B52 | = | −(x13−21)a1+x13a2+x13a3 | = | ax13x^+41ay^+41az^ | (24g) | Pb IV |
|
B53 | = | x13a1−(x13−21)a2−(x13−21)a3 | = | −a(x13−21)x^+41ay^+41az^ | (24g) | Pb IV |
|
B54 | = | x13a1−(x13−21)a2+x13a3 | = | 41ax^+ax13y^+41az^ | (24g) | Pb IV |
|
B55 | = | −(x13−21)a1+x13a2−(x13−21)a3 | = | 41ax^−a(x13−21)y^+41az^ | (24g) | Pb IV |
|
B56 | = | x13a1+x13a2−(x13−21)a3 | = | 41ax^+41ay^+ax13z^ | (24g) | Pb IV |
|
B57 | = | −(x13−21)a1−(x13−21)a2+x13a3 | = | 41ax^+41ay^−a(x13−21)z^ | (24g) | Pb IV |
|
B58 | = | z14a1+z14a2+(2x14−z14)a3 | = | ax14x^+ax14y^+az14z^ | (48h) | Li X |
|
B59 | = | z14a1+z14a2−(2x14+z14)a3 | = | −ax14x^−ax14y^+az14z^ | (48h) | Li X |
|
B60 | = | (2x14−z14)a1−(2x14+z14)a2+z14a3 | = | −ax14x^+ax14y^−az14z^ | (48h) | Li X |
|
B61 | = | −(2x14+z14)a1+(2x14−z14)a2+z14a3 | = | ax14x^−ax14y^−az14z^ | (48h) | Li X |
|
B62 | = | (2x14−z14)a1+z14a2+z14a3 | = | az14x^+ax14y^+ax14z^ | (48h) | Li X |
|
B63 | = | −(2x14+z14)a1+z14a2+z14a3 | = | az14x^−ax14y^−ax14z^ | (48h) | Li X |
|
B64 | = | z14a1+(2x14−z14)a2−(2x14+z14)a3 | = | −az14x^−ax14y^+ax14z^ | (48h) | Li X |
|
B65 | = | z14a1−(2x14+z14)a2+(2x14−z14)a3 | = | −az14x^+ax14y^−ax14z^ | (48h) | Li X |
|
B66 | = | z14a1+(2x14−z14)a2+z14a3 | = | ax14x^+az14y^+ax14z^ | (48h) | Li X |
|
B67 | = | z14a1−(2x14+z14)a2+z14a3 | = | −ax14x^+az14y^−ax14z^ | (48h) | Li X |
|
B68 | = | −(2x14+z14)a1+z14a2+(2x14−z14)a3 | = | ax14x^−az14y^−ax14z^ | (48h) | Li X |
|
B69 | = | (2x14−z14)a1+z14a2−(2x14+z14)a3 | = | −ax14x^−az14y^+ax14z^ | (48h) | Li X |
|
B70 | = | z15a1+z15a2+(2x15−z15)a3 | = | ax15x^+ax15y^+az15z^ | (48h) | Li XI |
|
B71 | = | z15a1+z15a2−(2x15+z15)a3 | = | −ax15x^−ax15y^+az15z^ | (48h) | Li XI |
|
B72 | = | (2x15−z15)a1−(2x15+z15)a2+z15a3 | = | −ax15x^+ax15y^−az15z^ | (48h) | Li XI |
|
B73 | = | −(2x15+z15)a1+(2x15−z15)a2+z15a3 | = | ax15x^−ax15y^−az15z^ | (48h) | Li XI |
|
B74 | = | (2x15−z15)a1+z15a2+z15a3 | = | az15x^+ax15y^+ax15z^ | (48h) | Li XI |
|
B75 | = | −(2x15+z15)a1+z15a2+z15a3 | = | az15x^−ax15y^−ax15z^ | (48h) | Li XI |
|
B76 | = | z15a1+(2x15−z15)a2−(2x15+z15)a3 | = | −az15x^−ax15y^+ax15z^ | (48h) | Li XI |
|
B77 | = | z15a1−(2x15+z15)a2+(2x15−z15)a3 | = | −az15x^+ax15y^−ax15z^ | (48h) | Li XI |
|
B78 | = | z15a1+(2x15−z15)a2+z15a3 | = | ax15x^+az15y^+ax15z^ | (48h) | Li XI |
|
B79 | = | z15a1−(2x15+z15)a2+z15a3 | = | −ax15x^+az15y^−ax15z^ | (48h) | Li XI |
|
B80 | = | −(2x15+z15)a1+z15a2+(2x15−z15)a3 | = | ax15x^−az15y^−ax15z^ | (48h) | Li XI |
|
B81 | = | (2x15−z15)a1+z15a2−(2x15+z15)a3 | = | −ax15x^−az15y^+ax15z^ | (48h) | Li XI |
|
B82 | = | z16a1+z16a2+(2x16−z16)a3 | = | ax16x^+ax16y^+az16z^ | (48h) | Li XII |
|
B83 | = | z16a1+z16a2−(2x16+z16)a3 | = | −ax16x^−ax16y^+az16z^ | (48h) | Li XII |
|
B84 | = | (2x16−z16)a1−(2x16+z16)a2+z16a3 | = | −ax16x^+ax16y^−az16z^ | (48h) | Li XII |
|
B85 | = | −(2x16+z16)a1+(2x16−z16)a2+z16a3 | = | ax16x^−ax16y^−az16z^ | (48h) | Li XII |
|
B86 | = | (2x16−z16)a1+z16a2+z16a3 | = | az16x^+ax16y^+ax16z^ | (48h) | Li XII |
|
B87 | = | −(2x16+z16)a1+z16a2+z16a3 | = | az16x^−ax16y^−ax16z^ | (48h) | Li XII |
|
B88 | = | z16a1+(2x16−z16)a2−(2x16+z16)a3 | = | −az16x^−ax16y^+ax16z^ | (48h) | Li XII |
|
B89 | = | z16a1−(2x16+z16)a2+(2x16−z16)a3 | = | −az16x^+ax16y^−ax16z^ | (48h) | Li XII |
|
B90 | = | z16a1+(2x16−z16)a2+z16a3 | = | ax16x^+az16y^+ax16z^ | (48h) | Li XII |
|
B91 | = | z16a1−(2x16+z16)a2+z16a3 | = | −ax16x^+az16y^−ax16z^ | (48h) | Li XII |
|
B92 | = | −(2x16+z16)a1+z16a2+(2x16−z16)a3 | = | ax16x^−az16y^−ax16z^ | (48h) | Li XII |
|
B93 | = | (2x16−z16)a1+z16a2−(2x16+z16)a3 | = | −ax16x^−az16y^+ax16z^ | (48h) | Li XII |
|
B94 | = | z17a1+z17a2+(2x17−z17)a3 | = | ax17x^+ax17y^+az17z^ | (48h) | Li XIII |
|
B95 | = | z17a1+z17a2−(2x17+z17)a3 | = | −ax17x^−ax17y^+az17z^ | (48h) | Li XIII |
|
B96 | = | (2x17−z17)a1−(2x17+z17)a2+z17a3 | = | −ax17x^+ax17y^−az17z^ | (48h) | Li XIII |
|
B97 | = | −(2x17+z17)a1+(2x17−z17)a2+z17a3 | = | ax17x^−ax17y^−az17z^ | (48h) | Li XIII |
|
B98 | = | (2x17−z17)a1+z17a2+z17a3 | = | az17x^+ax17y^+ax17z^ | (48h) | Li XIII |
|
B99 | = | −(2x17+z17)a1+z17a2+z17a3 | = | az17x^−ax17y^−ax17z^ | (48h) | Li XIII |
|
B100 | = | z17a1+(2x17−z17)a2−(2x17+z17)a3 | = | −az17x^−ax17y^+ax17z^ | (48h) | Li XIII |
|
B101 | = | z17a1−(2x17+z17)a2+(2x17−z17)a3 | = | −az17x^+ax17y^−ax17z^ | (48h) | Li XIII |
|
B102 | = | z17a1+(2x17−z17)a2+z17a3 | = | ax17x^+az17y^+ax17z^ | (48h) | Li XIII |
|
B103 | = | z17a1−(2x17+z17)a2+z17a3 | = | −ax17x^+az17y^−ax17z^ | (48h) | Li XIII |
|
B104 | = | −(2x17+z17)a1+z17a2+(2x17−z17)a3 | = | ax17x^−az17y^−ax17z^ | (48h) | Li XIII |
|
B105 | = | (2x17−z17)a1+z17a2−(2x17+z17)a3 | = | −ax17x^−az17y^+ax17z^ | (48h) | Li XIII |