#\#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. Mater. Chem."
_citation_journal_volume        22
_citation_page_first            9522
_citation_page_last             9538
_citation_article_id            ?
_citation_year                  2012
_citation_DOI                   10.1039/c2jm30957b

loop_
_citation_author_name
"F. Ramezanipour"
"J.E. Greedan"
"L.M.D. Cranswick"
"V.O. Garlea"
"J. Siewenie"
"G. King"
"A. Llobet"
"R.L. Donaberger"



_atomic_positions_source_database_code_ICSD  184717
_atomic_positions_source_other               .

_transition_temperature  650(2)
_experiment_temperature  300

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mX3+  1  1  .  primary  3  .

_exptl_crystal_magnetic_properties_details
;
NPD
Non-standard setting Icmm of the parent space group Imma
Moment values only approximate, take from a figure of the original reference
Similar structures for 0.1 substitution with Mn or Co, instead of Cr.
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (8 possible)
1-dim irrep active as primary
Irrep label here corresponds to the standard setting of the parent space group Imma
;

_parent_space_group.name_H-M_alt  'I c m m'
_parent_space_group.IT_number                       74
_parent_space_group.transform_Pp_abc  'c,b,-a;0,0,0'

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

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



_space_group_magn.number_BNS  53.336
_space_group_magn.name_BNS  "P_I m n a"
_cell_length_a             5.65550
_cell_length_b             15.62320
_cell_length_c             5.53170
_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+1/2,y,-z+1/2,+1
4 x+1/2,-y,-z+1/2,+1
5 -x,-y,-z,+1
6 x,y,-z,+1
7 x+1/2,-y,z+1/2,+1
8 -x+1/2,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+1/2,-1

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Sr1 Sr 0.51110 0.60984 0.00000 1.
Fe1 Fe 0.56320 0.25000 0.45800 0.5
Fe2 Fe 0.00000 0.00000 0.00000 0.9
Cr1 Cr 0.00000 0.00000 0.00000 0.1
O1 O 0.75000 0.49254 0.25000 1.
O2 O 0.04800 0.13976 0.00000 1.
O3 O 0.64320 0.25000 0.13390 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
Fe1 0.00000 0.00000 3.9 mx,0,mz
Fe2 0.00000 0.00000 3.2 0,0,mz
Cr1 0.00000 0.00000 3.2 0,0,mz


