#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 23/04/2021 

data_5yOhtAoR
_audit_creation_date            2021-04-23
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "J. Phys. F: Met. Phys."
_citation_journal_volume        15
_citation_page_first            427
_citation_page_last             438
_citation_article_id            .
_citation_year                  1985
_citation_DOI                   10.1088/0305-4608/15/2/016

loop_
_citation_author_name
"G Venturini"
"D Fruchart"
"J Hubsch"
"G Le Caer"
"B Malaman"
"B Roques"

_atomic_positions_source_database_code_ICSD  604017
_atomic_positions_source_other               .

_temperature_position_structure         293
_temperature_atom_positions             .              
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_transition_temperature  378
_experiment_temperature  300

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mM5+  2  2  special  primary  1  .

_exptl_crystal_magnetic_properties_details
;
NPD and Mossbauer spectrosc.
Position structure from a determination at room temperature by a different study.
There are two magnetic phases as temperature is lowered. Below 93K, a different magnetic ordering according with an additional primary irrep is reported (see #2.66 and #2.67).
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal symmetry
2-dim irrep along a special direction 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 [1 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;0,0,0'

_space_group_magn.number_BNS  60.432
_space_group_magn.name_BNS  "P_I b c n"
_cell_length_a             6.53700
_cell_length_b             6.53700
_cell_length_c             5.31600
_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 
3 x,-y,-z+1/2,+1 
4 -x+1/2,-y+1/2,z+1/2,+1 
5 -x,-y,-z,+1 
6 x+1/2,-y+1/2,z,+1 
7 -x,y,z+1/2,+1 
8 x+1/2,y+1/2,-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 0.25000
Sn1 Sn 0.16110 0.66110 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
Fe1 1.15 0.00000 0.00000 mx,0,0  1.15

