#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 16/03/2021 

data_5yOhtAoR
_audit_creation_date            2021-03-16
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "J. Phys. C: Solid State Phys."
_citation_journal_volume        19
_citation_page_first            1081
_citation_page_last             1095
_citation_article_id            .
_citation_year                  1986
_citation_DOI                   10.1088/0022-3719/19/8/007

loop_
_citation_author_name
"Y Laligant"
"M Leblanc"
"J Pannetier"
"G Ferey"

_atomic_positions_source_database_code_ICSD  201798
_atomic_positions_source_other               .

_transition_temperature  48(1)
_experiment_temperature  30

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM4+  1  1  .  primary  3  .

_exptl_crystal_magnetic_properties_details
;
NPD
At 26K a second magnetic phase transition takes place with the condensation of an additional magnetic order parameter (see #0.584) 
Ferrimagnetic along b
;

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

_parent_space_group.name_H-M_alt  'I m m a'
_parent_space_group.IT_number                       74
_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  '-b,a,c;1/4,1/4,1/4'



_space_group_magn.number_BNS  74.559
_space_group_magn.name_BNS  "I m m' a'"
_cell_length_a             7.46900
_cell_length_b             10.92700
_cell_length_c             6.60200
_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,-z+1/2,+1 
3 -x+1/2,-y+1/2,-z+1/2,+1 
4 x,-y+1/2,z,+1 
5 x+1/2,-y+1/2,-z+1/2,-1 
6 -x,-y+1/2,z,-1 
7 -x,y,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 
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
Fe1 Fe 0.00000 0.00000 0.00000
Fe2 Fe 0.25000 0.25000 0.25000
F1 F 0.20340 0.12570 0.04960
F2 F 0.00000 0.25000 0.33680
O1 O 0.00000 0.06580 0.69940
H1 H 0.39410 0.58780 0.11880

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 0.00000 -3.52(8) -1.60(8) 0,my,mz   3.86(16) 
Fe2 0.00000 2.80(10) 0.00000 0,my,0     2.80(10)

