#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 16:57:46
# Database entry: 0.123 Mn3NiN
# Cif-like file for the case 0.123


data_5yOhtAoR
_audit_creation_date            2017-11-19
_audit_creation_method          "Bilbao Crystallographic Server"

_chemical_name_systematic
;
;
_chemical_name_common                    ?
_chemical_formula_moiety                 ?
_chemical_formula_structural             ?
_chemical_formula_analytical             ?
_chemical_formula_iupac                  ?
_chemical_formula_sum                    'Mn3 Ni N'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "Journal of Applied Physics"
_citation_journal_volume        114
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            123902
_citation_year                  2013
_citation_DOI                   10.1063/1.4822023

loop_
_citation_author_name
"M. Wu"
"C. Wang"
"Y. Sun"
"L. Chu"
"J. Yan"
"D. Chen"
"Q. Huang"
"J.W. Lynn"






_atomic_positions_source_database_code_ICSD   290727
_atomic_positions_source_other               .

_transition_temperature     262
_experiment_temperature     10

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM4+ 3 3 special primary 2 .
mGM5+ 3 3 special primary 1 .

_exptl_crystal_magnetic_properties_details
;
NPD
;

_active_magnetic_irreps_details
;
1k magnetic structure
Two k=0 3-dim irreps are active, but restricted to special order parameter directions.
The allowed but null mz component corresponds to the irrep mGM4+
Both irreps have similar weight
;

_parent_space_group.name_H-M_alt  'P  m  -3m'
_parent_space_group.IT_number                       221
_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,b-c,a+b+c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'a,b,c;0,0,0'


_space_group_magn.number_BNS  148.17
_space_group_magn.name_BNS  "R  -3"
_space_group_magn.point_group_name  "-3"
_space_group_magn.point_group_number  "17.1.62"
_cell_length_a                 5.49750
_cell_length_b                 5.49750
_cell_length_c                 6.73300
_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 -y,x-y,z,+1
3 -x+y,-x,z,+1
4 -x,-y,-z,+1
5 y,-x+y,-z,+1
6 x-y,x,-z,+1

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1
2 x+2/3,y+1/3,z+1/3,+1
3 x+1/3,y+2/3,z+2/3,+1

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mn1 Mn 0.00000 0.50000 0.00000 1.
Ni1 Ni 0.00000 0.00000 0.00000 0.9
N1 N 0.00000 0.00000 0.50000 0.96

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 -2.1 -3.3 0.0 mx,my,mz

