#\#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  201799
_atomic_positions_source_other               ?

_transition_temperature  26(1)
_experiment_temperature  4.2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM4+  1  1  .  primary  3  .
mGM3+  1  1  .  primary  3  .

_exptl_crystal_magnetic_properties_details
;
NPD
This phase is the result of two magnetic phase transitions at 48K and 26K according to two distinct magnetic order parameters with different irreps.
For the structure between 48K and 26K with a single irrep magnetic ordering, see #0.583. 
Ferrimagnetic on the plane ab (in the parent setting).
;

_active_magnetic_irreps_details
;
1k magnetic structure
two 1-dim irreps 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  'a+b,c,-b;0,0,0'



_space_group_magn.number_BNS  15.89
_space_group_magn.name_BNS  "C 2'/c'"
_cell_length_a             7.47000
_cell_length_b             10.93000
_cell_length_c             6.60300
_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,-z,+1 
3 -x,-y+1/2,z,-1 
4 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
Fe1 Fe 0.00000 0.00000 0.00000
Fe2 Fe 0.25000 0.25000 0.25000
F1_1 F 0.20290 0.12520 0.05070
F1_2 F  0.79710 0.62520 0.94930
F2 F 0.00000 0.25000 0.33470
O1 O 0.00000 0.06530 0.69740
H1_1 H 0.39330 0.58710 0.12070
H1_2 H  0.60670 0.08710 0.87930

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 1.6(2) -3.4(1) -1.0(2) mx,my,mz      3.8(3)
Fe2 -0.7(2) 3.12(10) 3.73(8) mx,my,mz    4.9(3)

