#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 01/13/2022

data_5yOhtAoR
_audit_creation_date            2022-01-13
_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                    "Nb Mn P"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?

_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        104
_citation_page_first            .
_citation_page_last             .
_citation_article_id            174413
_citation_year                  2021
_citation_DOI                   10.1103/PhysRevB.104.174413

loop_
_citation_author_name
"M. Matsuda"
"Depei Zhang"
"Y. Kuwata"
"Q. Zhang"
"T. Sakurai"
"H. Ohta"
"H. Sugawara"
"K. Takeda"
"J. Hayashi"
"H. Kotegawa"

_temperature_position_structure         .
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     233
_experiment_temperature     9

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM3+ 1 1 . primary 2 .
mGM4- 1 1 . primary 2 .

_exptl_crystal_magnetic_properties_details
;
NPD
The position structure is described with an origin shift (0,0,1/2) with respect to the way the position structure is given in the table of the paper. This is done to be consistent with the graphical description shown in the paper.
;

_active_magnetic_irreps_details
;
1k magnetic structure
Two irreps involved. This implies two order parameters in the sense of Landau theory.
;

_parent_space_group.name_H-M_alt  'P n m a'
_parent_space_group.IT_number                       62
_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,a,c;1/4,1/4,0'

_space_group_magn.number_BNS  31.125
_space_group_magn.name_BNS  "P m' n 2_1'"
_space_group_magn.point_group_name  "m'm2'"
_space_group_magn.point_group_number  "7.3.22"
_cell_length_a                 6.1661(1)
_cell_length_b                 3.5325(1)
_cell_length_c                 7.2199(1)
_cell_angle_alpha              90.00
_cell_angle_beta               90.00
_cell_angle_gamma              90.00

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1 
2 -x+1/2,y+1/2,z+1/2,+1 
3 -x+1/2,-y,z+1/2,-1 
4 x,-y+1/2,z,-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
_atom_site_occupancy
Mn1_1 Mn 0.1411(2) 0.25000 0.5595(2) 1
Mn1_2 Mn 0.8589(2) 0.75000 0.4405(2) 1
Nb1_1 Nb 0.0317(1) 0.25000 0.1715(1) 1
Nb1_2 Nb 0.9683(1) 0.75000 0.8285(1) 1
P1_1 P 0.2674(2) 0.25000 0.8688(1) 1
P1_2 P 0.7326(2) 0.75000 0.1312(1) 1

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
_atom_site_moment.magnitude
_atom_site_moment.spherical_azimuthal
_atom_site_moment.spherical_polar
Mn1_1 0.83(7) 0.0 0.88(5) mx,0,mz 1.2(1) ? ?
Mn1_2 -0.83(7) 0.0 0.88(5) mx,0,mz 1.2(1) ? ?

