#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 04/02/2020


data_5yOhtAoR
_audit_creation_date            2020-02-04
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "J. Phys.: Condens. Matter"
_citation_journal_volume        2
_citation_page_first            9409
_citation_page_last             9422
_citation_article_id            ?
_citation_year                  1990
_citation_DOI                   10.1088/0953-8984/2/47/015

loop_
_citation_author_name
"P.J. Brown"
"V. Nunez"
"F. Tasset"
"J.B. Forsyth"
"P. Radhakrishna"




_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature  420
_experiment_temperature  200

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM6+  2  2  special  primary  3  .

_exptl_crystal_magnetic_properties_details
;
NSD with polarization analysis
Positional structure from a RT model of a material with slightly different stoichiometry.
;

_active_magnetic_irreps_details
;
1k magnetic structure
The MSG corresponding to the model reported in the original reference is corrected here.
2-dim irrep along a special direction.
Another model with MSG Cm'cm'(-b,2a+b,c) is reported to have a similar goodness of fit (see #0.280). It corresponds to the other possible special direction with higher symmetry of the same 2-dim irrep.
weak FM is expected along b
;

_parent_space_group.name_H-M_alt  'P 6_3/m m c'
_parent_space_group.IT_number                       194
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [0 0 0]

_parent_space_group.child_transform_Pp_abc  'a,b,c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  '-b,2a+b,c;0,0,0'



_space_group_magn.number_BNS  63.463
_space_group_magn.name_BNS  "C m c' m'"
_cell_length_a             5.66500
_cell_length_b             5.66500
_cell_length_c             4.53100
_cell_angle_alpha          90.00
_cell_angle_beta           90.00
_cell_angle_gamma          120.00

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1
2 -x,-x+y,-z,+1
3 -x,-y,-z,+1
4 x,x-y,z,+1
5 x,x-y,-z+1/2,-1
6 -x,-y,z+1/2,-1
7 -x,-x+y,z+1/2,-1
8 x,y,-z+1/2,-1

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Mn1_1 Mn 0.83880 0.67760 0.25000
Mn1_2 Mn  0.32240 0.16120 0.25000
As1 As 0.33333 0.66667 0.25000

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Mn1_1 3.00(1) 3.00 0.00000 mx,my,0
Mn1_2 0.00000 -3.00 0.00000 0,my,0

