#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 07/03/2020 


data_5yOhtAoR
_audit_creation_date            2020-03-07
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Z. fur Naturforschung B"
_citation_journal_volume        37
_citation_page_first            54
_citation_page_last             60
_citation_article_id            ?
_citation_year                  1982
_citation_DOI                   ?

loop_
_citation_author_name
"H. Holler"
"W. Kurtz"
"D. Babel"
"W. Knop"

_atomic_positions_source_database_code_ICSD  31705
_atomic_positions_source_other               .

_transition_temperature  3.4
_experiment_temperature  2.2

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

_exptl_crystal_magnetic_properties_details
;
NPD
Room temperature positional structure
Modulus of the magnetic moment undetermined. Here, an arbitrary value is given.
;

_active_magnetic_irreps_details
;
1k 
k-maximal magnetic symmetry (4 possible)
1-dim irrep primary
weak FM along b is symmetry dictated
;

_parent_space_group.name_H-M_alt  'P 2_1 2_1 2_1'
_parent_space_group.IT_number                       19
_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,c,-b;1/4,1/4,1/4'



_space_group_magn.number_BNS  19.27
_space_group_magn.name_BNS  "P 2_1' 2_1' 2_1"
_cell_length_a             13.93800
_cell_length_b             5.71100
_cell_length_c             4.94700
_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+1/2,-z+1/2,+1 
3 x+1/2,-y+1/2,-z,-1 
4 -x+1/2,-y,z+1/2,-1 

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1 

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ba1 Ba 0.09230 0.08990 0.01780
F1 F 0.26670 0.14390 0.78090
F2 F 0.42110 0.18540 0.08710
F3 F 0.09180 0.34810 0.55640
F4 F 0.08070 0.59900 0.12900
F5 F 0.24790 0.38730 0.23260
Cr1 Cr 0.16500 0.60260 0.42470

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Cr1 0.00000 0.00000 1.00000 mx,my,mz
