#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 08/03/2021 

data_5yOhtAoR
_audit_creation_date            2021-03-08
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Physical Review"
_citation_journal_volume        125
_citation_page_first            1283
_citation_page_last             1291
_citation_article_id            .
_citation_year                  1963
_citation_DOI                   10.1103/PhysRev.125.1283

loop_
_citation_author_name
"B. C. Frazer"
"P. J. Brown"

_atomic_positions_source_database_code_ICSD  27508
_atomic_positions_source_other               .

_transition_temperature  50
_experiment_temperature  4.2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM1+ 1  1  . primary  1  .
mGM2+ 1  1  . primary  2  .
mGM4  1  1  . primary  2  .
mGM3  1  1  . secondary 1  no  

_exptl_crystal_magnetic_properties_details
;
NPD
Position structure from a determination at RT.
;

_active_magnetic_irreps_details
;
1k magnetic structure
The superposition of three magnetic arrangements according to three different irreps (one for each moment component) are necessary for this model, i.e. according to Landau theory three different order parameters are involved.
The authors are also rather skeptic about the complexity of the model proposed and suggest as a possible alternative model a simpler one with the moments directed along a, which would involve only a single irrep  (mGM1) and much higher MSG: Cmcm (63.457).
;

_parent_space_group.name_H-M_alt  'C m c m'
_parent_space_group.IT_number                       63
_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  '1/2a+1/2b,-1/2a+1/2b,c;0,0,0'



_space_group_magn.number_BNS  2.4
_space_group_magn.name_BNS  "P -1"
_cell_length_a             5.56800
_cell_length_b             8.20800
_cell_length_c             5.97700
_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,-y,-z,+1 

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1 
2 x+1/2,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
Cr1_1 Cr 0.00000 0.00000 0.00000
Cr1_2 Cr  0.00000 0.00000 0.50000
V1 V 0.00000 0.35500 0.25000
O1_1 O 0.00000 0.24100 0.02600
O1_2 O  0.00000 0.75900 0.52600
O2_1 O 0.25100 0.47500 0.25000
O2_2 O  0.74900 0.47500 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
_atom_site_moment.magnitude
Cr1_1 1.87 0.92 0.33 mx,my,mz       2.1(2)
Cr1_2 -1.87 -0.92 -0.33 mx,my,mz    2.1

