#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 31/03/2020

data_5yOhtAoR
_audit_creation_date            2020-03-31
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Z. anorg. allg. Chem."
_citation_journal_volume        609
_citation_page_first            71
_citation_page_last             76
_citation_article_id            ?
_citation_year                  1992
_citation_DOI                   10.1002/zaac.19926090314

loop_
_citation_author_name
"P. Nu�ez"
"A. Tresaud"
"J. Grannce"
"P. Hagenmuller"
"W. Massa"
"D. Babel"
"A. Boireau"
"J.L. Soubeyroux"



_atomic_positions_source_database_code_ICSD  168525
_atomic_positions_source_other               .

_transition_temperature  4.2
_experiment_temperature  1.34

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mY1+  1  1  .  primary  3  .

_exptl_crystal_magnetic_properties_details
;
NPD
Position structure from a room temperature determination except for the unit cell parameters
Non-standard parent setting I12/a1
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (2 possible)
1-dim irrep as primary
Irrep label refers to the standard setting for the parent space group
;

_parent_space_group.name_H-M_alt  'I2/a'
_parent_space_group.IT_number                       15
_parent_space_group.transform_Pp_abc  'a+c,b,c;1/4,1/4,1/4'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [0 1 0]

_parent_space_group.child_transform_Pp_abc  'a,b,c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'a+c,b,c;1/4,1/4,1/4'



_space_group_magn.number_BNS  13.74
_space_group_magn.name_BNS  "P_C 2/c"
_cell_length_a             5.361(1)
_cell_length_b             5.397(2)
_cell_length_c             12.435(3)
_cell_angle_alpha          90.00
_cell_angle_beta           89.20(1)
_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
3 -x+1/2,-y+1/2,-z+1/2,+1
4 x,-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
Mn1 Mn 0.25000 0.75000 0.25000
F1 F 0.27700 0.66100 0.11400
F2 F 0.47100 0.06600 0.21400
Tl1 Tl 0.25000 0.26680 0.50000

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Mn1 0.00000 3.1(3) 0.00000 mx,my,mz

