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Added examples for some of the symmform items as given in issue COMCI…
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…FS#67.

Specifically, examples were added 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.
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vaitkus committed Feb 5, 2024
1 parent 9d05150 commit 80a547d
Showing 1 changed file with 82 additions and 5 deletions.
87 changes: 82 additions & 5 deletions cif_mag.dic
Original file line number Diff line number Diff line change
Expand Up @@ -10,7 +10,7 @@ data_MAGNETIC_CIF
_dictionary.title MAGNETIC_CIF
_dictionary.class Instance
_dictionary.version 0.9.9
_dictionary.date 2024-01-19
_dictionary.date 2024-02-05
_dictionary.uri
https://raw.githubusercontent.com/COMCIFS/magnetic_dic/main/cif_mag.dic
_dictionary.ddl_conformance 3.11.09
Expand Down Expand Up @@ -1394,7 +1394,7 @@ save_atom_site_moment_fourier_param.modulus_symmform
'_atom_site_moment_Fourier_param.modulus_symmform'
_alias.definition_id
'_atom_site_moment_Fourier_param_modulus_symmform'
_definition.update 2016-05-24
_definition.update 2024-02-05
_description.text
;
See the description and example given for the
Expand All @@ -1407,6 +1407,29 @@ save_atom_site_moment_fourier_param.modulus_symmform
_type.container Single
_type.contents Text

loop_
_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_

save_atom_site_moment_fourier_param.phase
Expand Down Expand Up @@ -1445,7 +1468,7 @@ save_atom_site_moment_fourier_param.phase_symmform
'_atom_site_moment_Fourier_param.phase_symmform'
_alias.definition_id
'_atom_site_moment_Fourier_param_phase_symmform'
_definition.update 2016-05-24
_definition.update 2024-02-05
_description.text
;
See the description and example given for the
Expand All @@ -1458,6 +1481,33 @@ save_atom_site_moment_fourier_param.phase_symmform
_type.container Single
_type.contents Text

loop_
_description_example.case
_description_example.detail
0
;
Equal to zero.
;
-90
;
Equal to 90 degrees.
;
mxp2
;
Equal to the phase of the x component of the magnetic vector amplitude
of modulation number 2.
;
-0.38110*mzp1
;
Equal to -0.38110 times the phase of the z component of the magnetic
vector amplitude of modulation number 1.
;
180-myp3
;
Equal to 180 degrees minus the phase of the y component of the magnetic
vector amplitude of modulation number 3.
;

save_

save_atom_site_moment_fourier_param.sin
Expand Down Expand Up @@ -1492,7 +1542,7 @@ save_atom_site_moment_fourier_param.sin_symmform

_definition.id '_atom_site_moment_Fourier_param.sin_symmform'
_alias.definition_id '_atom_site_moment_Fourier_param_sin_symmform'
_definition.update 2016-05-24
_definition.update 2024-02-05
_description.text
;
See the description and example given for the
Expand All @@ -1505,6 +1555,29 @@ save_atom_site_moment_fourier_param.sin_symmform
_type.container Single
_type.contents Text

loop_
_description_example.case
_description_example.detail
0
;
Equal to zero.
;
mxc2
;
Equal to the cosine part of the x component of the magnetic vector
amplitude of modulation number 2.
;
-0.5*mzs1
;
Equal to -0.5 times the sine part of the z component of the magnetic
vector amplitude of modulation number 1.
;
0.03271*myc3
;
Equal to 0.03271 times the cosine part of the y component of the
magnetic vector amplitude of modulation number 3.
;

save_

save_ATOM_SITE_MOMENT_SPECIAL_FUNC
Expand Down Expand Up @@ -4383,7 +4456,7 @@ save_
_atom_site_moment .cartesion* items, corrected and improved *_symmform
descriptions. Created the atom_site_rotation category. (B Campbell)
;
0.9.9 2024-01-19
0.9.9 2024-02-05
;
Changed several instances of "Jones-Faithful notation" to
"Jones faithful notation".
Expand All @@ -4398,4 +4471,8 @@ save_
_space_group_magn.point_group_number in favour of the newly added
_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.
;

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