#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 19/03/2018 15:35:46


data_5yOhtAoR
_audit_creation_date            2018-03-19
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "J. Phys. Chem. Solids"
_citation_journal_volume        35
_citation_page_first            1683
_citation_page_last             1689
_citation_article_id            ?
_citation_year                  1974
_citation_DOI                   10.1016/S0022-3697(74)80182-4

loop_
_citation_author_name
"P. Fischer"
"W. Hälg"
"D. Schwarzenbach"
"H. Gamsjäger"




_atomic_positions_source_database_code_ICSD  9790
_atomic_positions_source_other               .

_transition_temperature  69
_experiment_temperature  4.2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mY2+  1  1  .  primary 3  .
mY1+  1  1  .  primary 3  .

_exptl_crystal_magnetic_properties_details
;
NPD
The material is assumed to be weak ferromagnet, but the symmetry of the reported magnetic structure is incompatible with weak ferromagnetism.
Only 3 magnetic diffraction peaks were used for the fit.
Apparently not all possible spin arrangements of higher symmetry were explored.
The relative signs of the x and y spin components remained undetermined and an arbitrary choice was done.
;

_active_magnetic_irreps_details
;
1k magnetic structure
two irreps active.
;

_parent_space_group.name_H-M_alt  'P  2_1/c'
_parent_space_group.IT_number                       14
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [1/2 0 0]

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



_space_group_magn.number_BNS  2.7
_space_group_magn.name_BNS  "P_S-1"
_cell_length_a             6.58800
_cell_length_b             4.56800
_cell_length_c             5.35800
_cell_angle_alpha          90.00
_cell_angle_beta           121.17
_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

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1
2 x+1/2,y,z,-1

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cu1_1 Cu 0.00000 0.00000 0.00000
Cu1_2 Cu  0.00000 0.50000 0.50000
F1_1 F 0.12780 0.29800 0.29440
F1_2 F  0.87220 0.79800 0.20560

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Cu1_1 0.26(9) 0.68(3) 0.00000 mx,my,mz
Cu1_2 -0.26 -0.68 0.00000 mx,my,mz


