#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 15/03/2020


data_5yOhtAoR
_audit_creation_date            2020-03-15
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Dalton Trans."
_citation_journal_volume        46
_citation_page_first            5128
_citation_page_last             5132
_citation_article_id            ?
_citation_year                  2017
_citation_DOI                   10.1039/c7dt00800g

loop_
_citation_author_name
"R. Ceravola"
"J. Oro-Sole"
"A.P. Black"
"C. Ritter"
"I.P. Orench"
"I. Mata"
"E. Molins"
"C. Frontera"
"A. Fuertes"



_atomic_positions_source_database_code_ICSD  253804
_atomic_positions_source_other               .

_transition_temperature  27
_experiment_temperature  1.8

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mN1-  4  1  .  primary  3  .

_exptl_crystal_magnetic_properties_details
;
NPD
Positional structure from a 50 K experiment
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (1 possible)
1-dim small irrep as primary
;

_parent_space_group.name_H-M_alt  'I 4/m'
_parent_space_group.IT_number                       87
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [0 1/2 1/2]

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



_space_group_magn.number_BNS  2.7
_space_group_magn.name_BNS  "P_S -1"
_cell_length_a             5.57280
_cell_length_b             11.14560
_cell_length_c             15.80180
_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

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1
2 x,y+1/2,z+1/2,+1
3 x+1/2,y+1/4,z+3/4,+1
4 x+1/2,y+3/4,z+1/4,+1
5 x+1/2,y+1/4,z+1/4,-1
6 x+1/2,y+3/4,z+3/4,-1
7 x,y+1/2,z,-1
8 x,y,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_1 Sr 0.00000 0.25000 0.00000 1.
Sr1_2 Sr  0.50000 0.00000 0.00000 1.
Fe1 Fe 0.00000 0.00000 0.00000 0.96
W1 W 0.00000 0.00000 0.00000 0.04
Fe2 Fe 0.00000 0.00000 0.25000 0.04
W2 W 0.00000 0.00000 0.25000 0.96
O1 O 0.00000 0.00000 0.12890 0.77
N1 N 0.00000 0.00000 0.12890 0.23
O2_1 O 0.23060 0.13700 0.00000 0.9
O2_2 O  0.72600 0.11530 0.00000 0.9
N2_1 N 0.23060 0.13700 0.00000 0.1
N2_2 N  0.72600 0.11530 0.00000 0.1

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 2.12(6) mx,my,mz
Fe2 0.00000 0.00000 0.00000 0,0,0

