#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 20/03/2018 00:43:19


data_5yOhtAoR
_audit_creation_date            2018-03-20
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Journal of Solid State Chemistry"
_citation_journal_volume        174
_citation_page_first            87
_citation_page_last             95
_citation_article_id            ?
_citation_year                  2003
_citation_DOI                   10.1016/S0022-4596(03)00180-4

loop_
_citation_author_name
"P. Karen"
"A. Kjekshus"
"Q. Huang"
"V. Karen"
"J. Lynn"
"N. Rosov"
"I.N. Sora"
"A. Santoro"





_atomic_positions_source_database_code_ICSD  96582
_atomic_positions_source_other               .

_transition_temperature  ?
_experiment_temperature  10

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mR3+  1  1  .  primary  2  .
mR4+  1  1  .  primary  2  .

_exptl_crystal_magnetic_properties_details
;
NPD
See also Phys Rev B. 49, 3465 (1994)
Oxygen content value taken from the icsd file
;

_active_magnetic_irreps_details
;
1k magnetic structure
The magnetic space group indicated in the original reference is incorrect.
Two irreps active
;

_parent_space_group.name_H-M_alt  'P  m  m  m'
_parent_space_group.IT_number                       47
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

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

_parent_space_group.child_transform_Pp_abc  '2a,2b,2c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'a,-c,-1/2a+1/2b;0,1/4,1/4'



_space_group_magn.number_BNS  12.64
_space_group_magn.name_BNS  "C_a2/m"
_cell_length_a             7.80880
_cell_length_b             7.83620
_cell_length_c             23.50780
_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
3 -x,-y+1/2,-z+1/2,+1
4 x,y,-z+1/2,+1

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1
2 x,y+1/2,z+1/2,+1
3 x+1/2,y,z+1/2,+1
4 x+1/2,y+1/2,z,+1
5 x,y,z+1/2,-1
6 x,y+1/2,z,-1
7 x+1/2,y,z,-1
8 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
_atom_site_occupancy
Y1 Y 0.25000 0.25000 0.25000 1.
Ba1 Ba 0.25000 0.25000 0.08270 1.
Fe1 Fe 0.00000 0.00000 0.00000 1.
Fe2 Fe 0.00000 0.00000 0.16960 1.
O1 O 0.00000 0.00000 0.09085 1.
O2 O 0.25000 0.00000 0.19135 1.
O3 O 0.00000 0.25000 0.19070 1.
O4 O 0.00000 0.25000 0.00000 0.86
O5 O 0.25000 0.00000 0.00000 0.98

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 2.69 -2.69 0.00000 mx,my,0
Fe2 -2.69 2.69 0.00000 mx,my,0


