# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 20/02/2018 17:34:07

data_5yOhtAoR
_audit_creation_date            2018-02-20
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        97
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            014426
_citation_year                  2018
_citation_DOI                   10.1103/PhysRevB.97.014426

loop_
_citation_author_name
"Y.Y. Jiao"
"Q. Cui"
"P. Shahi"
"N.N. Wang"
"N. Su"
"B.S. Wang"
"M.T. Fernandez-Diaz"
"J.A. Alonso"
"J.-G. Cheng"





_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature  98
_experiment_temperature  2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mM1-  1  1  . primary  3  .

_exptl_crystal_magnetic_properties_details
;
NPD
Atomic positions and unit cell from 120K measurement, except positions of magnetic atoms
Structure origin shifted 0.5 along z, to coincide with the origin chosen for the magnetic sites in the refinement of the 2K magnetic structure.
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (4 possible)
1-dim irrep active
;

_parent_space_group.name_H-M_alt  'C  2/m'
_parent_space_group.IT_number                       12
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

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

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



_space_group_magn.number_BNS  15.90
_space_group_magn.name_BNS  "C_c  2/c"
_cell_length_a             9.34290
_cell_length_b             5.67670
_cell_length_c             9.25100
_cell_angle_alpha          90.00
_cell_angle_beta           92.04
_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
3 -x,-y,-z+1/2,+1
4 x,-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+1/2,z+1/2,+1
3 x,y,z+1/2,-1
4 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 Cr 0.24827 0.00000 0.25000
Re1 Re 0.00000 0.77668 0.00000
O1 O 0.35110 0.23560 0.35460
O2 O 0.09690 0.00000 0.40430
O3 O 0.60480 0.00000 0.38520

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 0.88000 0.00000 1.72000 mx,0,mz
Re1 0.00000 0.33000 0.00000 0,my,0


