#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 24/05/2020 

data_5yOhtAoR
_audit_creation_date            2020-05-24
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "J. Phys.: Condens. Matter"
_citation_journal_volume        15
_citation_page_first            8691
_citation_page_last             8701
_citation_article_id            ?
_citation_year                  2003
_citation_DOI                   10.1088/0953-8984/15/50/0032003

loop_
_citation_author_name
"M Schmidt"
"M Hofmann"
"S J Campbell"

_atomic_positions_source_database_code_ICSD  190551
_atomic_positions_source_other               .

_transition_temperature  232(4)
_experiment_temperature  1.5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
?  ?  ?  ?  ?  ?  ?

_exptl_crystal_magnetic_properties_details
;
NPD
Another quite different model with MSG Cm'm'm'(a,b,c;0,0,0, Fe2 zero moment and non-zero Fe1 moment equally fits the data (see #0.401)
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (8 possible)
1-dim irrep as primary
The magnetic point group mm'm' of the structure allows weak FM along a, which is forbidden for the  alternative Cm'm'm' structure.
;

_parent_space_group.name_H-M_alt  'C m m m'
_parent_space_group.IT_number                       65
_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]

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

_space_group_magn.number_BNS  65.486
_space_group_magn.name_BNS  "C m m' m'"
_cell_length_a             10.94300
_cell_length_b             7.67950
_cell_length_c             5.45490
_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 
3 -x,-y,-z,+1 
4 -x,y,z,+1 
5 -x,y,-z,-1 
6 -x,-y,z,-1 
7 x,-y,z,-1 
8 x,y,-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 

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Sr1 Sr 0.50000 0.00000 0.50000
Sr2 Sr 0.00000 0.00000 0.50000
Sr3 Sr 0.26000 0.00000 0.00000
Fe1 Fe 0.00000 0.74100 0.00000
Fe2 Fe 0.25000 0.25000 0.50000
O1 O 0.50000 0.00000 0.00000
O2 O 0.26800 0.00000 0.50000
O3 O 0.38100 0.27260 0.24100

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 0.00000 0.00000 0.00000 mx,0,0
Fe2 0.00000 3.52(4) 0.00000 mx,my,0



