#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 18/02/2020

data_5yOhtAoR
_audit_creation_date            2020-02-18
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Phys. Chem. Chem. Phys."
_citation_journal_volume        21
_citation_page_first            7261
_citation_page_last             7264
_citation_article_id            ?
_citation_year                  2019
_citation_DOI                   10.1039/c9cp00448c

loop_
_citation_author_name
"S. Injac"
"A.K.L. Yuen"
"M. Avdeev"
"F. Orlandi"
"B.J. Kennedy"




_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature  35
_experiment_temperature  1.5

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

_exptl_crystal_magnetic_properties_details
;
NPD
positional structure from a room temperature determination
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (4 possible)
1-dim irrep primary
;

_parent_space_group.name_H-M_alt  'I 4_1/a'
_parent_space_group.IT_number                       88
_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  88.85
_space_group_magn.name_BNS  "I 4_1'/a'"
_cell_length_a             5.67590
_cell_length_b             5.67590
_cell_length_c             12.71910
_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+1/2,z,+1
3 y+1/4,-x+3/4,-z+3/4,+1
4 -y+3/4,x+3/4,-z+3/4,+1
5 -y+3/4,x+1/4,z+1/4,-1
6 y+1/4,-x+1/4,z+1/4,-1
7 -x,-y,-z,-1
8 x,y+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

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
K1 K 0.00000 0.25000 0.62500
Os1 Os 0.00000 0.25000 0.12500
O1 O 0.11960 0.02140 0.19780

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Os1 0.00000 0.00000 0.46(18) 0,0,mz

