#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 15/12/2020

data_5yOhtAoR
_audit_creation_date            2020-12-15
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Journal of Magnetism and Magnetic Materials"
_citation_journal_volume        62
_citation_page_first            57
_citation_page_last             67
_citation_article_id            .
_citation_year                  1986
_citation_DOI                   10.1016/0304-8853(86)90734-1

loop_
_citation_author_name
"A. Collomb"
"P. Wolfers"
"X. Obradors"



_atomic_positions_source_database_code_ICSD  60986
_atomic_positions_source_other               .

_transition_temperature  470(30)
_experiment_temperature  4.2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM2+  1  1  .  primary  6   .

_exptl_crystal_magnetic_properties_details
;
NPD
Ferrimagnetic
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
1-dim irrep as primary
;

_parent_space_group.name_H-M_alt  'P 6_3/m m c'
_parent_space_group.IT_number                       194
_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  194.270
_space_group_magn.name_BNS  "P 6_3/m m' c'"
_cell_length_a             5.86500
_cell_length_b             5.86500
_cell_length_c             23.09900
_cell_angle_alpha          90.00
_cell_angle_beta           90.00
_cell_angle_gamma          120.00

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1
2 x-y,x,z+1/2,+1
3 -y,x-y,z,+1
4 -x,-y,z+1/2,+1
5 -x+y,-x,z,+1
6 y,-x+y,z+1/2,+1
7 -x,-y,-z,+1
8 -x+y,-x,-z+1/2,+1
9 y,-x+y,-z,+1
10 x,y,-z+1/2,+1
11 x-y,x,-z,+1
12 -y,x-y,-z+1/2,+1
13 x-y,-y,-z,-1
14 y,x,-z,-1
15 -x,-x+y,-z,-1
16 x,x-y,-z+1/2,-1
17 -x+y,y,-z+1/2,-1
18 -y,-x,-z+1/2,-1
19 -x+y,y,z,-1
20 -y,-x,z,-1
21 x,x-y,z,-1
22 -x,-x+y,z+1/2,-1
23 x-y,-y,z+1/2,-1
24 y,x,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
Fe1 Fe 0.00000 0.00000 0.00000
Fe2 Fe 0.00000 0.00000 0.25000
Fe3 Fe 0.33333 0.66667 0.02800
Fe4 Fe 0.33333 0.66667 0.18970
Fe5 Fe 0.16660 0.33320 0.89170
Ba1 Ba 0.33333 0.66667 0.75000
O1 O 0.00000 0.00000 0.15190
O2 O 0.33333 0.66667 0.94450
O3 O 0.18800 0.37600 0.25000
O4 O 0.15900 0.31800 0.05230
O5 O 0.50000 0.00000 0.14930

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
_atom_site_moment.magnitude
Fe1 0.00000 0.00000 4.1(3) 0,0,mz    4.1(3)
Fe2 0.00000 0.00000 4.8(3) 0,0,mz    4.8(3)
Fe3 0.00000 0.00000 -4.5(2) 0,0,mz   4.5(2
Fe4 0.00000 0.00000 -4.2(2) 0,0,mz   4.2(2)
Fe5 0.00000 0.00000 4.9(1) mx,2mx,mz 4.9(1)

