#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 26/04/2020


data_5yOhtAoR
_audit_creation_date            2020-04-26
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "J. Phys.: Condens. Matter"
_citation_journal_volume        7
_citation_page_first            4725
_citation_page_last             4738
_citation_article_id            ?
_citation_year                  1995
_citation_DOI                   10.1088/0953-8984/7/24/012

loop_
_citation_author_name
"M. Gabas"
"F. Palacio"
"J. Rodriguez-Carvajal"
"D. Visser"



_atomic_positions_source_database_code_ICSD  81021
_atomic_positions_source_other               .

_transition_temperature  14.2
_experiment_temperature  1.6

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM1- 1  1  .  primary  2  .

_exptl_crystal_magnetic_properties_details
;
NPD
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (8 possible)
1-dim irrep as primary
Linear magnetoelectricity symmetry allowed
;

_parent_space_group.name_H-M_alt  'P n m a'
_parent_space_group.IT_number                       62
_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  62.449
_space_group_magn.name_BNS  "P n' m' a'"
_cell_length_a             13.43910
_cell_length_b             9.59810
_cell_length_c             6.97970
_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+1/2,-y+1/2,-z+1/2,+1
3 -x,y+1/2,-z,+1
4 -x+1/2,-y,z+1/2,+1
5 -x,-y,-z,-1
6 -x+1/2,y+1/2,z+1/2,-1
7 x,-y+1/2,z,-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

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
K1 K 0.35360 0.49700 0.14090
Fe1 Fe 0.11540 0.25000 0.19500
Cl1 Cl 0.25160 0.25000 0.39470
Cl2 Cl 0.21970 0.25000 0.91980
Cl3 Cl 0.00700 0.25000 0.46780
Cl4 Cl 0.10490 0.49610 0.18660
O1 O 0.99210 0.25000 0.02390
D1 D 0.96360 0.33240 0.95233

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 3.9(1) 0.00000 0.00000 mx,0,mz

