#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 05/12/2020

data_5yOhtAoR
_audit_creation_date            2020-12-05
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Journal of Solid State Chemistry"
_citation_journal_volume        275
_citation_page_first            56
_citation_page_last             62
_citation_article_id            .
_citation_year                  2019
_citation_DOI                   10.1016/j.jssc.2019.03.050

loop_
_citation_author_name
"Ø.S. Fjellvåg"
"V. Øygarden"
"M.H. Sorby"
"A.O. Sjåstad"



_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature  ">350"
_experiment_temperature  8

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mY3-  1  1  .  primary  2  .

_exptl_crystal_magnetic_properties_details
;
Combined NPD and XPD
Transition temperature unkown (above 350K)
Propagation vector in the article is incorrect.
Structure described in the standard setting of its MSG, which implies an origin shift (1/4,1/4,0) with respect to the parent Cmcm setting (to be consistent with the graphical description of the spin arrangement in the article).
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
1-dim irrep as primary
;

_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 [1 0 0]

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



_space_group_magn.number_BNS  57.391
_space_group_magn.name_BNS  "P_C b c m"
_cell_length_a             28.7559(13)
_cell_length_b             5.5280(2)
_cell_length_c             5.4583(2)
_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+1/2,-z,+1
3 -x,y+1/2,-z+1/2,+1
4 -x,-y,z+1/2,+1
5 -x,-y,-z,+1
6 -x,y+1/2,z,+1
7 x,-y+1/2,z+1/2,+1
8 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

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Fe1 Fe 0.39349(10) 0.9983(7) 0.25000 1.
Fe2 Fe 0.75000 0.4392(7) 0.25000 1.
La1 La 0.95181(6) 0.0020(4) 0.25000 0.2157(10)
Sr1 Sr 0.95181 0.0020 0.25000 0.7843
La2 La 0.8285(7) 0.9899(4) 0.25000 0.2843(10)
Sr2 Sr 0.8285 0.9899 0.25000 0.7157
O1 O 0.6087(3) 0.75000 0.00000 1.
O2 O 0.3860(2) 0.75000 0.00000 1.
O3 O 0.46285(17) 0.9748(12) 0.25000 1.
O4 O 0.30865(18) 0.0439(12) 0.25000 1.
O5 O 0.75000 0.108(2) 0.359(2) 0.5

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
Fe1 0.00000 0.00000 -3.99(5) 0,0,mz  3.99(5)
Fe2 0.00000 0.00000 -3.58(8) 0,0,mz  3.58(8)

