QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: HIMANI on December 29, 2014, 11:39

Title: spinel al203 structure
Post by: HIMANI on December 29, 2014, 11:39

please provide me the correct cif file for spinel model of al2o3. the cif file present on the database is producing error.
i have used this attached file but it is not working.

Title: Re: spinel al203 structure
Post by: Umberto Martinez on January 8, 2015, 17:24

delete ":1" from the line
_symmetry_space_group_name_H-M   'F d -3 m :1'