Tolerance Lattice: Atomic position: Atomic occupation: Magnetic moment:
Lattice parameters that define a "conventional" unit cell. (alpha is the angle between b and c; beta is the angle between a and c; gamma is the angle between a and b.) Units for a,b,c are arbitrary. Units for alpha,beta,gamma are degrees. a: b: c: alpha: beta: gamma:
Alternate method: enter cartesian coordinates of the basis vectors of the lattice. Units are arbitrary.
Known centering P I F A B C R
Use monoclinic settings with axes a(b)c c(-b)a ab(c) ba(-c) (a)bc (-a)cb Use monoclinic settings with cell choice 1 2 3 Use orthorhombic settings with axes abc ba-c cab -cba bca a-cb Use settings with origin choice 1 2 Use settings with hexagonal rhombohedral axes
Number of atoms in the unit cell:
Type of each atom in the unit cell. (Separate symbols by spaces.)
Position of each atom in the unit cell. Coordinates are given in terms of the three vectors above which define a conventional unit cell. Units are dimensionless. Enter each atom on a separate line. Include occupation Include magnetic moments. Give components along the three vectors above which define a conventional unit cell. 0 0 0 0.5 0.5 0.5
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