#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 16/10/2020


data_5yOhtAoR
_audit_creation_date            2020-10-16
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Journal of Alloys and Compounds"
_citation_journal_volume        842
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            155935
_citation_year                  2020
_citation_DOI                   10.1016/j.jallcom.2020.155935

loop_
_citation_author_name
"K.S. Knight"
"D.D. Khalyavin"
"P. Manuel"
"C.L. Bull"
"P. McIntyre"



_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature  86.8
_experiment_temperature  ?

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

_exptl_crystal_magnetic_properties_details
;
NPD
Position structure from a determination at 140K
Majority magnetic phase coexisting with an orthorhombic Pnma structure
Below 77K a magnetic phase with MSG Pn'ma' is reported (see #0.432)
Gz type
Moment magnitude is undetermined, and is given here an arbitrary value
;

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

_parent_space_group.name_H-M_alt  'I 4/m c m'
_parent_space_group.IT_number                       140
_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  140.541
_space_group_magn.name_BNS  "I 4/m c m"
_cell_length_a             5.89907
_cell_length_b             5.89907
_cell_length_c             8.38022
_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+1/2,+1
5 -x,y,-z+1/2,+1
6 -x,-y,z,+1
7 y,x,-z+1/2,+1
8 -y,-x,-z+1/2,+1
9 -x,-y,-z,+1
10 y,-x,-z,+1
11 -y,x,-z,+1
12 -x,y,z+1/2,+1
13 x,-y,z+1/2,+1
14 x,y,-z,+1
15 -y,-x,z+1/2,+1
16 y,x,z+1/2,+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 0.50000 0.25000
Mn1 Mn 0.00000 0.00000 0.00000
F1 F 0.00000 0.00000 0.25000
F2 F 0.2257 0.2743 0.00000

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
Mn1 0.00000 0.00000 1.0 0,0,mz  ?

