#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 31/08/2020

data_5yOhtAoR
_audit_creation_date            2020-08-31
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "CHIN. PHYS. LETT."
_citation_journal_volume        28
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            086104
_citation_year                  2011
_citation_DOI                   10.1088/0256-307X/28/8/086104

loop_
_citation_author_name
"W. Bao"
"Q.-Z. Huang"
"G.-F. Chen"
"D.-M. Wang"
"J.-B. He"
"Y.-M. Qiu"



_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature  559
_experiment_temperature  11

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM1-  1  1  .  primary  3  .

_exptl_crystal_magnetic_properties_details
;
NPD
The structure within the same phase at other various higher temperatures is also reported in the same reference
Some occupancies are larger than 1.
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (6 possible)
1-dim 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 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  87.78
_space_group_magn.name_BNS  "I 4/m'"
_cell_length_a             8.6929(2)
_cell_length_b             8.6929
_cell_length_c             14.0168(4)
_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 -y,x,z,+1
3 y,-x,z,+1
4 -x,-y,z,+1
5 -x,-y,-z,-1
6 y,-x,-z,-1
7 -y,x,-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+1/2,+1

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
K1 K 0.00000 0.00000 0.50000 1.04(4)
K2 K 0.404(2) 0.178(2) 0.00000 0.78(2)
Fe1 Fe 0.00000 0.50000 0.25000 0.062(8)
Fe2 Fe 0.1979(3) 0.0915(2) 0.24674 1.008(4)
Se1 Se 0.50000 0.50000 0.1337(5) 1.
Se2 Se 0.1147(4) 0.3011(5) 0.1455(1) 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 0.00000 0,0,0
Fe2 0.00000 0.00000 3.31(2) mx,my,mz

