#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 17:06:54
# Database entry: 1.28 CrN
# Cif-like file for the case 1.28


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                    'Cr N'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "PHYSICAL REVIEW"
_citation_journal_volume        117
_citation_page_first            929
_citation_page_last             935
_citation_article_id            .
_citation_year                  1960
_citation_DOI                   10.1103/physrev.117.929

loop_
_citation_author_name
"L.M. Corliss"
"N. Elliott"
"J.M. Hastings"





_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     273
_experiment_temperature     77

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mSM3 12 2 special primary . .

_exptl_crystal_magnetic_properties_details
;
NPD
A Pnma distortion of the atomic positions is reported, but not fully defined. Not included here.
The effective space group for atomic positions is not Pnma (62), as
assumed in the reference, but Pmmn (59) (the root space group of the OG label of the magnetic space group), having a unit cell halved with respect to the magnetic cell.
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (6 possible)
;

_parent_space_group.name_H-M_alt  'F  m  -3m'
_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  '2a,  2b,c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  '1/2a+1/2b,-1/4a+1/4b,c;0,1/8,1/4'


_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                 8.2600
_cell_length_b                 8.2600
_cell_length_c                 4.1300
_cell_angle_alpha              90.0000
_cell_angle_beta               90.0000
_cell_angle_gamma              90.0000

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

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1
2 x+1/4,y+3/4,z,+1
3 x+1/2,y+1/2,z,+1
4 x+3/4,y+1/4,z,+1
5 x+1/4,y+1/4,z,-1
6 x+1/2,y,z,-1
7 x+3/4,y+3/4,z,-1
8 x,y+1/2,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 0.00000 0.00000 0.00000 1
N1 N 0.00000 0.75000 0.00000 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
Cr1 1.7 -1.7 0.0 mx,-mx,0

