| | Lattice
coordinates | | Cartesian
coordinates | Wyckoff position | Atom type |
B1 | = | (y1+z1)a1−(y1−z1)a2+(y1−z1)a3 | = | ay1y^+az1z^ | (48h) | C I |
B2 | = | −(y1−z1)a1+(y1+z1)a2−(y1+z1)a3 | = | −ay1y^+az1z^ | (48h) | C I |
B3 | = | (y1−z1)a1−(y1+z1)a2+(y1+z1)a3 | = | ay1y^−az1z^ | (48h) | C I |
B4 | = | −(y1+z1)a1+(y1−z1)a2−(y1−z1)a3 | = | −ay1y^−az1z^ | (48h) | C I |
B5 | = | (y1−z1)a1+(y1+z1)a2−(y1−z1)a3 | = | az1x^+ay1z^ | (48h) | C I |
B6 | = | −(y1+z1)a1−(y1−z1)a2+(y1+z1)a3 | = | az1x^−ay1z^ | (48h) | C I |
B7 | = | (y1+z1)a1+(y1−z1)a2−(y1+z1)a3 | = | −az1x^+ay1z^ | (48h) | C I |
B8 | = | −(y1−z1)a1−(y1+z1)a2+(y1−z1)a3 | = | −az1x^−ay1z^ | (48h) | C I |
B9 | = | −(y1−z1)a1+(y1−z1)a2+(y1+z1)a3 | = | ay1x^+az1y^ | (48h) | C I |
B10 | = | (y1+z1)a1−(y1+z1)a2−(y1−z1)a3 | = | −ay1x^+az1y^ | (48h) | C I |
B11 | = | −(y1+z1)a1+(y1+z1)a2+(y1−z1)a3 | = | ay1x^−az1y^ | (48h) | C I |
B12 | = | (y1−z1)a1−(y1−z1)a2−(y1+z1)a3 | = | −ay1x^−az1y^ | (48h) | C I |
B13 | = | (−x2+y2+z2)a1+(x2−y2+z2)a2+(x2+y2−z2)a3 | = | ax2x^+ay2y^+az2z^ | (96i) | C II |
B14 | = | (x2−y2+z2)a1+(−x2+y2+z2)a2−(x2+y2+z2)a3 | = | −ax2x^−ay2y^+az2z^ | (96i) | C II |
B15 | = | (x2+y2−z2)a1−(x2+y2+z2)a2+(−x2+y2+z2)a3 | = | −ax2x^+ay2y^−az2z^ | (96i) | C II |
B16 | = | −(x2+y2+z2)a1+(x2+y2−z2)a2+(x2−y2+z2)a3 | = | ax2x^−ay2y^−az2z^ | (96i) | C II |
B17 | = | (x2+y2−z2)a1+(−x2+y2+z2)a2+(x2−y2+z2)a3 | = | az2x^+ax2y^+ay2z^ | (96i) | C II |
B18 | = | −(x2+y2+z2)a1+(x2−y2+z2)a2+(−x2+y2+z2)a3 | = | az2x^−ax2y^−ay2z^ | (96i) | C II |
B19 | = | (−x2+y2+z2)a1+(x2+y2−z2)a2−(x2+y2+z2)a3 | = | −az2x^−ax2y^+ay2z^ | (96i) | C II |
B20 | = | (x2−y2+z2)a1−(x2+y2+z2)a2+(x2+y2−z2)a3 | = | −az2x^+ax2y^−ay2z^ | (96i) | C II |
B21 | = | (x2−y2+z2)a1+(x2+y2−z2)a2+(−x2+y2+z2)a3 | = | ay2x^+az2y^+ax2z^ | (96i) | C II |
B22 | = | (−x2+y2+z2)a1−(x2+y2+z2)a2+(x2−y2+z2)a3 | = | −ay2x^+az2y^−ax2z^ | (96i) | C II |
B23 | = | −(x2+y2+z2)a1+(−x2+y2+z2)a2+(x2+y2−z2)a3 | = | ay2x^−az2y^−ax2z^ | (96i) | C II |
B24 | = | (x2+y2−z2)a1+(x2−y2+z2)a2−(x2+y2+z2)a3 | = | −ay2x^−az2y^+ax2z^ | (96i) | C II |
B25 | = | (x2−y2−z2)a1−(x2−y2+z2)a2−(x2+y2−z2)a3 | = | −ax2x^−ay2y^−az2z^ | (96i) | C II |
B26 | = | −(x2−y2+z2)a1+(x2−y2−z2)a2+(x2+y2+z2)a3 | = | ax2x^+ay2y^−az2z^ | (96i) | C II |
B27 | = | −(x2+y2−z2)a1+(x2+y2+z2)a2+(x2−y2−z2)a3 | = | ax2x^−ay2y^+az2z^ | (96i) | C II |
B28 | = | (x2+y2+z2)a1−(x2+y2−z2)a2−(x2−y2+z2)a3 | = | −ax2x^+ay2y^+az2z^ | (96i) | C II |
B29 | = | −(x2+y2−z2)a1+(x2−y2−z2)a2−(x2−y2+z2)a3 | = | −az2x^−ax2y^−ay2z^ | (96i) | C II |
B30 | = | (x2+y2+z2)a1−(x2−y2+z2)a2+(x2−y2−z2)a3 | = | −az2x^+ax2y^+ay2z^ | (96i) | C II |
B31 | = | (x2−y2−z2)a1−(x2+y2−z2)a2+(x2+y2+z2)a3 | = | az2x^+ax2y^−ay2z^ | (96i) | C II |
B32 | = | −(x2−y2+z2)a1+(x2+y2+z2)a2−(x2+y2−z2)a3 | = | az2x^−ax2y^+ay2z^ | (96i) | C II |
B33 | = | −(x2−y2+z2)a1−(x2+y2−z2)a2+(x2−y2−z2)a3 | = | −ay2x^−az2y^−ax2z^ | (96i) | C II |
B34 | = | (x2−y2−z2)a1+(x2+y2+z2)a2−(x2−y2+z2)a3 | = | ay2x^−az2y^+ax2z^ | (96i) | C II |
B35 | = | (x2+y2+z2)a1+(x2−y2−z2)a2−(x2+y2−z2)a3 | = | −ay2x^+az2y^+ax2z^ | (96i) | C II |
B36 | = | −(x2+y2−z2)a1−(x2−y2+z2)a2+(x2+y2+z2)a3 | = | ay2x^+az2y^−ax2z^ | (96i) | C II |
B37 | = | (−x3+y3+z3)a1+(x3−y3+z3)a2+(x3+y3−z3)a3 | = | ax3x^+ay3y^+az3z^ | (96i) | C III |
B38 | = | (x3−y3+z3)a1+(−x3+y3+z3)a2−(x3+y3+z3)a3 | = | −ax3x^−ay3y^+az3z^ | (96i) | C III |
B39 | = | (x3+y3−z3)a1−(x3+y3+z3)a2+(−x3+y3+z3)a3 | = | −ax3x^+ay3y^−az3z^ | (96i) | C III |
B40 | = | −(x3+y3+z3)a1+(x3+y3−z3)a2+(x3−y3+z3)a3 | = | ax3x^−ay3y^−az3z^ | (96i) | C III |
B41 | = | (x3+y3−z3)a1+(−x3+y3+z3)a2+(x3−y3+z3)a3 | = | az3x^+ax3y^+ay3z^ | (96i) | C III |
B42 | = | −(x3+y3+z3)a1+(x3−y3+z3)a2+(−x3+y3+z3)a3 | = | az3x^−ax3y^−ay3z^ | (96i) | C III |
B43 | = | (−x3+y3+z3)a1+(x3+y3−z3)a2−(x3+y3+z3)a3 | = | −az3x^−ax3y^+ay3z^ | (96i) | C III |
B44 | = | (x3−y3+z3)a1−(x3+y3+z3)a2+(x3+y3−z3)a3 | = | −az3x^+ax3y^−ay3z^ | (96i) | C III |
B45 | = | (x3−y3+z3)a1+(x3+y3−z3)a2+(−x3+y3+z3)a3 | = | ay3x^+az3y^+ax3z^ | (96i) | C III |
B46 | = | (−x3+y3+z3)a1−(x3+y3+z3)a2+(x3−y3+z3)a3 | = | −ay3x^+az3y^−ax3z^ | (96i) | C III |
B47 | = | −(x3+y3+z3)a1+(−x3+y3+z3)a2+(x3+y3−z3)a3 | = | ay3x^−az3y^−ax3z^ | (96i) | C III |
B48 | = | (x3+y3−z3)a1+(x3−y3+z3)a2−(x3+y3+z3)a3 | = | −ay3x^−az3y^+ax3z^ | (96i) | C III |
B49 | = | (x3−y3−z3)a1−(x3−y3+z3)a2−(x3+y3−z3)a3 | = | −ax3x^−ay3y^−az3z^ | (96i) | C III |
B50 | = | −(x3−y3+z3)a1+(x3−y3−z3)a2+(x3+y3+z3)a3 | = | ax3x^+ay3y^−az3z^ | (96i) | C III |
B51 | = | −(x3+y3−z3)a1+(x3+y3+z3)a2+(x3−y3−z3)a3 | = | ax3x^−ay3y^+az3z^ | (96i) | C III |
B52 | = | (x3+y3+z3)a1−(x3+y3−z3)a2−(x3−y3+z3)a3 | = | −ax3x^+ay3y^+az3z^ | (96i) | C III |
B53 | = | −(x3+y3−z3)a1+(x3−y3−z3)a2−(x3−y3+z3)a3 | = | −az3x^−ax3y^−ay3z^ | (96i) | C III |
B54 | = | (x3+y3+z3)a1−(x3−y3+z3)a2+(x3−y3−z3)a3 | = | −az3x^+ax3y^+ay3z^ | (96i) | C III |
B55 | = | (x3−y3−z3)a1−(x3+y3−z3)a2+(x3+y3+z3)a3 | = | az3x^+ax3y^−ay3z^ | (96i) | C III |
B56 | = | −(x3−y3+z3)a1+(x3+y3+z3)a2−(x3+y3−z3)a3 | = | az3x^−ax3y^+ay3z^ | (96i) | C III |
B57 | = | −(x3−y3+z3)a1−(x3+y3−z3)a2+(x3−y3−z3)a3 | = | −ay3x^−az3y^−ax3z^ | (96i) | C III |
B58 | = | (x3−y3−z3)a1+(x3+y3+z3)a2−(x3−y3+z3)a3 | = | ay3x^−az3y^+ax3z^ | (96i) | C III |
B59 | = | (x3+y3+z3)a1+(x3−y3−z3)a2−(x3+y3−z3)a3 | = | −ay3x^+az3y^+ax3z^ | (96i) | C III |
B60 | = | −(x3+y3−z3)a1−(x3−y3+z3)a2+(x3+y3+z3)a3 | = | ay3x^+az3y^−ax3z^ | (96i) | C III |