#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 09/23/2022

data_5yOhtAoR
_audit_creation_date            2022-09-23
_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                    "Cr1 N1"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        105
_citation_page_first            .
_citation_page_last             .
_citation_article_id            L180101
_citation_year                  2022
_citation_DOI                   10.1103/PhysRevB.105.L180101

loop_
_citation_author_name
"Z. Gui"
"C. Gu"
"H. Cheng"
"J. Zhu"
"X. Yu"
"Er.Guo"
"L. Wu"
"J. Mei"
"J. Sheng"
"J. Zhang"
"J. Wang"
"Y. Zhao"
"L. Bellaiche"
"L. Huang"
"S. Wang"

_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     270
_experiment_temperature     10

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mSM3 12 1 special primary 1 0

_exptl_crystal_magnetic_properties_details
;
NPD
Two equivalent domain related descriptions including twin-related structural distortions are presented in the paper. Here only one of them is used.
The structure has a strong structural orthorhombic distortion according to the space group Pmmn, which is consistent with the MSG of the phase, and is concomitant with the magnetic transitions. It can therefore be in principle considered a magnetostructural effect induced by the magnetic ordering. 
The structure is described in the standard setting of the MSG. Under this setting, the effective space group Pmmn for the nuclear structure is in a non-standard setting, with transformation to standard: (b,c,a;0,0,0).
The spin arrangement and corresponding MSG coincides with that reported previously (see #1.28). But the present model includes a structural distortion, which was mentioned in the previous reference but was not fully characterized. In fact, therein it was assigned a different space group not compatible with the resulting MSG of the spin arrangement and it would therefore break further the symmetry (see #1.28).
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal symmetry
2-dim extended (k,-k) small irrep
;

_parent_space_group.name_H-M_alt  'F m -3 m'
_parent_space_group.IT_number                       225
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [1/2 1/2 0]

_parent_space_group.child_transform_Pp_abc  'a+b,-1/2a+1/2b,c;1/2,3/4,1/4'
_space_group_magn.transform_BNS_Pp_abc  'a,b,c;0,0,0'

_space_group_magn.number_BNS  62.450
_space_group_magn.name_BNS  "P_a n m a"
_space_group_magn.point_group_name  "mmm1'"
_space_group_magn.point_group_number  "8.2.25"
_cell_length_a                 5.7693(1)
_cell_length_b                 2.9711(1)
_cell_length_c                 4.1413(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,y+1/2,-z,+1 
4 -x+1/2,-y,z+1/2,+1 
5 -x,-y,-z,+1 
6 -x+1/2,y+1/2,z+1/2,+1 
7 x,-y+1/2,z,+1 
8 x+1/2,y,-z+1/2,+1 

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1 
2 x+1/2,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
Cr1 Cr 0.1398(5) 0.2500 0.2500 1
N1 N 0.1148(2) 0.2500 0.7500 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
Cr1 0.0 2.35(5) 0.0 0,my,0 2.35(5) ? ?

