diff --git a/cif_mag.dic b/cif_mag.dic index da5720f..4113f80 100644 --- a/cif_mag.dic +++ b/cif_mag.dic @@ -1167,7 +1167,7 @@ save_ATOM_SITE_MOMENT_FOURIER_PARAM _definition.id ATOM_SITE_MOMENT_FOURIER_PARAM _definition.scope Category _definition.class Loop - _definition.update 2016-05-24 + _definition.update 2024-02-05 _description.text ; Data items in this category record details about the @@ -1189,19 +1189,19 @@ save_ATOM_SITE_MOMENT_FOURIER_PARAM _description_example.case ; loop_ - _cell_wave_vector_seq_id - _cell_wave_vector_x - _cell_wave_vector_y - _cell_wave_vector_z + _cell_wave_vector.seq_id + _cell_wave_vector.x + _cell_wave_vector.y + _cell_wave_vector.z 1 0.30000 0.30000 0.00000 2 -0.60000 0.30000 0.00000 loop_ - _atom_site_Fourier_wave_vector_seq_id - _atom_site_Fourier_wave_vector_x - _atom_site_Fourier_wave_vector_y - _atom_site_Fourier_wave_vector_z - _atom_site_Fourier_wave_vector_q1_coeff - _atom_site_Fourier_wave_vector_q2_coeff + _atom_site_Fourier_wave_vector.seq_id + _atom_site_Fourier_wave_vector.x + _atom_site_Fourier_wave_vector.y + _atom_site_Fourier_wave_vector.z + _atom_site_Fourier_wave_vector.q1_coeff + _atom_site_Fourier_wave_vector.q2_coeff 1 -0.30000 0.60000 0.00000 1 1 2 -0.60000 0.30000 0.00000 0 1 3 -0.30000 -0.30000 0.00000 -1 0 @@ -1214,14 +1214,14 @@ save_ATOM_SITE_MOMENT_FOURIER_PARAM _atom_site_moment_Fourier_param.sin _atom_site_moment_Fourier_param.cos_symmform _atom_site_moment_Fourier_param.sin_symmform - 1 Fe_1 1 x 0.00000 0.84852 0 mxs - 2 Fe_1 1 y 0.00000 0.42426 0 0.50000*mxs + 1 Fe_1 1 x 0.00000 0.84852 0 mxs1 + 2 Fe_1 1 y 0.00000 0.42426 0 0.50000*mxs1 3 Fe_1 1 z 0.00000 0.00000 0 0 - 4 Fe_1 2 x 0.00000 -0.42426 0 -0.50000*mxs - 5 Fe_1 2 y 0.00000 -0.84852 0 -mxs + 4 Fe_1 2 x 0.00000 -0.42426 0 -0.50000*mxs1 + 5 Fe_1 2 y 0.00000 -0.84852 0 -mxs1 6 Fe_1 2 z 0.00000 0.00000 0 0 - 7 Fe_1 3 x -0.42426 0.00000 -0.50000*mxs 0 - 8 Fe_1 3 y 0.42426 0.00000 0.50000*mxs 0 + 7 Fe_1 3 x -0.42426 0.00000 -0.50000*mxs1 0 + 8 Fe_1 3 y 0.42426 0.00000 0.50000*mxs1 0 9 Fe_1 3 z 0.00000 0.00000 0 0 ; _description_example.detail @@ -1265,7 +1265,7 @@ save_atom_site_moment_fourier_param.cos_symmform _definition.id '_atom_site_moment_Fourier_param.cos_symmform' _alias.definition_id '_atom_site_moment_Fourier_param_cos_symmform' - _definition.update 2016-05-24 + _definition.update 2024-02-05 _description.text ; A symbolic expression that indicates the symmetry-restricted form of @@ -1292,43 +1292,28 @@ save_atom_site_moment_fourier_param.cos_symmform _type.source Assigned _type.container Single _type.contents Text - _description_example.case -; - loop_ - _cell_wave_vector_seq_id - _cell_wave_vector_x - _cell_wave_vector_y - _cell_wave_vector_z - 1 0.30000 0.30000 0.00000 - 2 -0.60000 0.30000 0.00000 - loop_ - _atom_site_Fourier_wave_vector_seq_id - _atom_site_Fourier_wave_vector_x - _atom_site_Fourier_wave_vector_y - _atom_site_Fourier_wave_vector_z - _atom_site_Fourier_wave_vector_q1_coeff - _atom_site_Fourier_wave_vector_q2_coeff - 1 -0.30000 0.60000 0.00000 1 1 - 2 -0.60000 0.30000 0.00000 0 1 - 3 -0.30000 -0.30000 0.00000 -1 0 + loop_ - _atom_site_moment_Fourier_id - _atom_site_moment_Fourier_atom_site_label - _atom_site_moment_Fourier_wave_vector_seq_id - _atom_site_moment_Fourier_axis - _atom_site_moment_Fourier_param.cos - _atom_site_moment_Fourier_param.sin - _atom_site_moment_Fourier_param.cos_symmform - _atom_site_moment_Fourier_param.sin_symmform - 1 Fe_1 1 x 0.00000 0.84852 0 mxs1 - 2 Fe_1 1 y 0.00000 0.42426 0 0.50000*mxs1 - 3 Fe_1 1 z 0.00000 0.00000 0 0 - 4 Fe_1 2 x 0.00000 -0.42426 0 -0.50000*mxs1 - 5 Fe_1 2 y 0.00000 -0.84852 0 -mxs1 - 6 Fe_1 2 z 0.00000 0.00000 0 0 - 7 Fe_1 3 x -0.42426 0.00000 -0.50000*mxs1 0 - 8 Fe_1 3 y 0.42426 0.00000 0.50000*mxs1 0 - 9 Fe_1 3 z 0.00000 0.00000 0 0 + _description_example.case + _description_example.detail + 0 +; + Equal to zero. +; + mxm2 +; + Equal to the modulus of the x component of the magnetic vector + amplitude of modulation number 2. +; + -0.5*mzm1 +; + Equal to -0.5 times the modulus of the z component of the magnetic + vector amplitude of modulation number 1. +; + 0.03271*mym3 +; + Equal to 0.03271 times the modulus of the y component of the magnetic + vector amplitude of modulation number 3. ; save_ @@ -4472,7 +4457,10 @@ save_ _space_group_magn.point_group_name_H-M and _space_group_magn.point_group_number_Litvin. - Added examples for the _atom_site_moment_Fourier_param.modulus_symmform, - _atom_site_moment_Fourier_param.phase_symmform and - _atom_site_moment_Fourier_param_sin_symmform data items. + Added or update examples for the + _atom_site_moment_Fourier_param.cos_symmform, + _atom_site_moment_Fourier_param.sin_symmform, + _atom_site_moment_Fourier_param.modulus_symmform and + _atom_site_moment_Fourier_param.phase_symmform data items. + Update example of the ATOM_SITE_MOMENT_FOURIER_PARAM category. ;