#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 02/05/2020

data_5yOhtAoR
_audit_creation_date            2020-05-02
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Journal of Solid State Chemistry"
_citation_journal_volume        254
_citation_page_first            166
_citation_page_last             177
_citation_article_id            ?
_citation_year                  2017
_citation_DOI                   10.1016/j.jssc.2017.06.031

loop_
_citation_author_name
"S. Ivanov"
"P. Beran"
"G. Bazuev"
"R. Tellgren"
"T. Sarkar"
"P. Nordblad"
"R. Mathieu"



_atomic_positions_source_database_code_ICSD  258320
_atomic_positions_source_other               .

_transition_temperature  350
_experiment_temperature  4

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM1  1  1  .  primary  3  .

_exptl_crystal_magnetic_properties_details
;
NPD
Similar structures reported for other compositions varying the ratio of Fe/Cr
The moment given here to Fe is associated to the Fe/Cr site as a whole
Moment is only approximate (estimated from a figure of the reference)
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (4 possible)
1-dim irrep as primary
;

_parent_space_group.name_H-M_alt  'P n m a'
_parent_space_group.IT_number                       62
_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,b,c;0,0,0'



_space_group_magn.number_BNS  62.441
_space_group_magn.name_BNS  "P n m a"
_cell_length_a             5.51640
_cell_length_b             7.79070
_cell_length_c             5.52090
_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+1/2,+1
3 -x,y+1/2,-z,+1
4 -x+1/2,-y,z+1/2,+1
5 -x,-y,-z,+1
6 -x+1/2,y+1/2,z+1/2,+1
7 x,-y+1/2,z,+1
8 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
_atom_site_occupancy
La1 La 0.97330 0.25000 0.00690 0.744
Bi1 Bi 0.97330 0.25000 0.00690 0.256
Fe1 Fe 0.00000 0.00000 0.50000 0.477
Cr1 Cr 0.00000 0.00000 0.50000 0.523
O1 O 0.51330 0.25000 0.91800 1.
O2 O 0.71590 0.03500 0.28030 1.

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Fe1 3.3 0.0 0.0 mx,my,mz

