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

data_5yOhtAoR
_audit_creation_date            2018-10-01
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Phys. Rev. B"
_citation_journal_volume        97
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            054431
_citation_year                  2018
_citation_DOI                   10.1103/PhysRevB.97.054431

loop_
_citation_author_name
"A.S. Cavichini"
"M.T. Orlando"
"J.B. Depianti"
"J.L. Passamai"
"F. Damay"
"F. Porcher"
"E. Granado"




_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature  121
_experiment_temperature  2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM1+  1  1  .  primary  6  .

_exptl_crystal_magnetic_properties_details
;
NPD
Parent structure in non-standard P2_1/n setting.
FM along the b direction.
The fit could not distinguish the sign of the FM my component for the Mn atoms. The fit was undistinguishable for positive and negative values. Here from the two possibilities, the one where the spin follows the tilt of the octahedra is chosen.

;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (2 possible)
1-dim irrep active
;

_parent_space_group.name_H-M_alt  'P 2_1/c'
_parent_space_group.IT_number                       14
_parent_space_group.transform_Pp_abc  'a,b,a+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  'a,b,a+c;0,0,0'



_space_group_magn.number_BNS  14.75
_space_group_magn.name_BNS  "P  2_1/c"
_cell_length_a             5.42500
_cell_length_b             5.64480
_cell_length_c             7.71650
_cell_angle_alpha          90.00
_cell_angle_beta           90.28
_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,-z,+1
4 x+1/2,-y+1/2,z+1/2,+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
Ca1 Ca 0.48730 0.55544 0.25310
Mn1 Mn 0.50000 0.00000 0.50000
Re1 Re 0.50000 0.00000 0.00000
O1 O 0.31820 0.28110 0.05630
O2 O 0.21120 0.81190 0.04840
O3 O 0.59850 0.96880 0.23220

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Mn1 -2.41(3) -0.8(3) -3.53(3) mx,my,mz
Re1 -0.16(4) 0.00000 0.15(4) mx,my,mz
