#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 22/05/2019 
# icsd_68174.cif

data_5yOhtAoR
_audit_creation_date            2019-05-22
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "J. Phys. C: Solid State Phys."
_citation_journal_volume        7
_citation_page_first            409
_citation_page_last             424
_citation_article_id            ?
_citation_year                  1974
_citation_DOI                   10.1088/0022-3719/7/2/019

loop_
_citation_author_name
"Jensen, G.B."
"Nielsen,O.V."


_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature  33
_experiment_temperature  4.7

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM5+ 2  2  special  primary 4 .
mSM3  4  2  special  primary  4  .
mM2   2  2  special  secondary  3  no

_exptl_crystal_magnetic_properties_details
;
NSD
above 33K, up to 39K an incommensurate spiral structure is reported
Neel temperature: 41K
Between 41K and 39K a k=0 magnetic phase is observed
;

_active_magnetic_irreps_details
;
2k magnetic structure
2k maximal symmetry
2 primary irreps involved
The second irrep mSM3 is only responsible of the z component of the Mn2_2 spins. The rest of the spin arrangement is a k=0 (mGM5+) ordering.
A secondary irrep with a third propagation vector: k=(1,1,1) ( or equivalently (0,0,1)) is possible, but it is negligible in the reported structure. 
;

_parent_space_group.name_H-M_alt  'I4_1/a m d'
_parent_space_group.IT_number                       141
_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]
k2 [0 1/2 0]

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



_space_group_magn.number_BNS  60.422
_space_group_magn.name_BNS  "P b' c' n"
_cell_length_a             5.71000
_cell_length_b             11.42000
_cell_length_c             9.35000
_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+1/2,-y+1/2,z+1/2,-1 
6 x,-y,-z,-1 
7 x+1/2,y,-z+1/2,-1 
8 -x,y+1/2,z,-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
Mn1 Mn 0.00000 0.37500 0.12500
Mn2_1 Mn 0.00000 0.00000 0.50000
Mn2_2 Mn  0.25000 0.37500 0.75000
Mn2_3 Mn  0.50000 0.25000 0.00000
O1_1 O 0.00000 0.23540 0.25840
O1_2 O  0.77920 0.37500 0.50840
O1_3 O  0.72080 0.37500 0.99160
O1_4 O  0.50000 0.48540 0.75840

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 0.00000 4.34000 0.00000 mx,my,mz
Mn2_1 0.00000 -1.38000 3.37000 0,my,mz
Mn2_2 0.00000 -1.08000 3.07000 mx,my,mz
Mn2_3 0.00000 -1.38000 3.37000 mx,my,mz
