#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 07/05/2020

data_5yOhtAoR
_audit_creation_date            2020-05-07
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "J. Mater. Chem."
_citation_journal_volume        2005
_citation_page_first            3093
_citation_page_last             3103
_citation_article_id            ?
_citation_year                  ?
_citation_DOI                   10.1039/B505617A

loop_
_citation_author_name
"A.L. Hector"
"C.S. Knee"
"A.I. MacDonald"
"D.J. Price"
"M.T. Weller"



_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature  ?
_experiment_temperature  2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mA1  2  2  special  primary  1  .

_exptl_crystal_magnetic_properties_details
;
NPD
Transition temperature not reported
Structure of one of the three phases that are assumed to be coexisting in the material at 2K.
Phase fraction: 0.140
Moments and positions have been constrained to be equal in the three phases.
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (6 possible)
The symmetry group assigned in the original reference is incorrect. The correct MSG is used here.
2-dim along a special direction as primary
;

_parent_space_group.name_H-M_alt  'P 4/n m m'
_parent_space_group.IT_number                       129
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

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

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



_space_group_magn.number_BNS  121.332
_space_group_magn.name_BNS  "I_c -4 2 m"
_cell_length_a             5.4532
_cell_length_b             5.4532
_cell_length_c             26.292
_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+1/2,+1
3 -x,y,-z+1/2,+1
4 -x,-y,z,+1
5 y+1/2,-x+1/2,-z+1/2,+1
6 -y+1/2,x+1/2,-z+1/2,+1
7 -y+1/2,-x+1/2,z,+1
8 y+1/2,x+1/2,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+1/2,+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
Fe1 Fe 0.25000 0.25000 0.11395
Sr1 Sr 0.25000 0.75000 0.18910
Sr2 Sr 0.25000 0.75000 0.05255
O1 O 0.25000 0.25000 0.04100
O2_1 O 0.00000 0.00000 0.12690
O2_2 O 0.00000 0.50000 0.12690
F1 F 0.25000 0.25000 0.21740

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Fe1 2.643 2.643 0.00000 mx,mx,0

