#\#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        "Journal of Magnetism and Magnetic Materials"
_citation_journal_volume        92
_citation_page_first            359
_citation_page_last             365
_citation_article_id            .
_citation_year                  1991
_citation_DOI                   10.1016/0304-8853(91)90849-6

loop_
_citation_author_name
"M. Leblanc"
"G. Ferey"
"P. Lacorre"
"J. Pannetier"

_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_temperature_position_structure         .
_temperature_atom_positions             170              
_temperature_non-magn_atom_positions    .

_transition_temperature  35
_experiment_temperature  2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM2+  1  1  .  primary  5  .
mM2+   1  1  .  primary  5  .

_exptl_crystal_magnetic_properties_details
;
NPD
Between 157K and 35K another phase with only Fe1 sites having non-zero  magnetic moments along b is reported. This previous phase only involves the irrep mGM2+ (k=0) (see #0.582).
;

_active_magnetic_irreps_details
;
2k magnetic structure
k-maximal magnetic symmetry
Two 1-dim irreps as primary, one with k1=0 for Fe1 and one with k2=(0,1,1/2) for Fe2 and the x and z moment components of Fe1: Two order parameters with two distinct phase transitions.
Weak ferromagnet. FM on the plane ac.
;

_parent_space_group.name_H-M_alt  'C 2/m'
_parent_space_group.IT_number                       12
_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]
k2 [0 1 1/2]

_parent_space_group.child_transform_Pp_abc  'a,b,2c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'a-c,b,a;0,0,0'



_space_group_magn.number_BNS  12.62
_space_group_magn.name_BNS  "C 2'/m'"
_cell_length_a             7.54300
_cell_length_b             7.43140
_cell_length_c             14.77300
_cell_angle_alpha          90.00
_cell_angle_beta           117.26
_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,-z,-1 
4 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
Fe1_1 Fe 0.25000 0.25000 0.25000
Fe1_2 Fe  0.75000 0.25000 0.25000
Fe2_1 Fe 0.00000 0.50000 0.00000
Fe2_2 Fe  0.50000 0.00000 0.00000
F1 F 0.00000 0.29920 0.25000
F2_1 F 0.17810 0.00000 0.21970
F2_2 F  0.67810 0.50000 0.21970
F3_1 F 0.13360 0.29620 0.10630
F3_2 F  0.63360 0.79620 0.10630
O1_1 O 0.24700 0.00000 0.02775
O1_2 O  0.74700 0.50000 0.02775
H1_1 H 0.20900 0.10020 0.05400
H1_2 H  0.70900 0.60020 0.05400

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 1.65000 4.03000 0.43000 mx,my,mz     4.30(12)
Fe1_2 -1.65000 -4.03000 -0.43000 mx,my,mz  4.30
Fe2_1 4.20000 0.00000 3.23000 mx,0,mz      3.97(13)
Fe2_2 -4.20000 0.00000 -3.23000 mx,0,mz    3.97

