#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 08/11/2020

data_5yOhtAoR
_audit_creation_date            2020-11-08
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "J. Phys.: Condens. Matter"
_citation_journal_volume        30
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            295403
_citation_year                  2018
_citation_DOI                   10.1088/1361-648X/aaca6c

loop_
_citation_author_name
"T. Frohlich"
"J. Stein"
"L. Bohaty"
"P. Becker"
"A. Gukasov"
"M. Braden"



_atomic_positions_source_database_code_ICSD  21834
_atomic_positions_source_other               .

_transition_temperature  6.35(5)
_experiment_temperature  1.6

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM2- 1  1  .  primary  3  .

_exptl_crystal_magnetic_properties_details
;
NPD
Position structure from a determination at 100K.
H position is missing
Non-standard parent setting I2/c is used.
;

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

_parent_space_group.name_H-M_alt  'I 2/c'
_parent_space_group.IT_number                       15
_parent_space_group.transform_Pp_abc  'a+c,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+c,b,c;0,0,0'



_space_group_magn.number_BNS  15.87
_space_group_magn.name_BNS  "C 2'/c"
_cell_length_a             17.1206
_cell_length_b             7.36190
_cell_length_c             16.0860
_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

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
Cs1 Cs 0.97129 0.52178 0.87490
Cs2 Cs 0.74368 0.48920 0.12376
Fe1 Fe 0.87829 0.99440 0.62555
Cl1 Cl 0.74489 0.00500 0.62404
Cl2 Cl 0.88362 0.76840 0.72527
Cl3 Cl 0.89160 0.21960 0.73514
Cl4 Cl 0.88791 0.24189 0.52765
Cl5 Cl 0.89092 0.78975 0.51407
O1 O 0.00535 0.98700 0.62540

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 0.0 4.10(3) 0.0 mx,my,mz  4.10(3)


