#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 26/05/2019


data_5yOhtAoR
_audit_creation_date            2019-05-26
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Inorganic Chemistry"
_citation_journal_volume        58
_citation_page_first            4164
_citation_page_last             4172
_citation_article_id            ?
_citation_year                  2019
_citation_DOI                   10.1021/acs.inorgchem.8b03195

loop_
_citation_author_name
"M. Sale"
"Q. Xia"
"M. Avdeev"
"C.D. Ling"




_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature  2.95
_experiment_temperature  1.6

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

_exptl_crystal_magnetic_properties_details
;
NPD
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
1-dim irrep active
;

_parent_space_group.name_H-M_alt  'P -4 2_1 m'
_parent_space_group.IT_number                       113
_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  113.267
_space_group_magn.name_BNS  "P -4 2_1 m"
_cell_length_a             8.32050
_cell_length_b             8.32050
_cell_length_c             5.37100
_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
3 -x+1/2,y+1/2,-z,+1
4 -x,-y,z,+1
5 y,-x,-z,+1
6 -y,x,-z,+1
7 -y+1/2,-x+1/2,z,+1
8 y+1/2,x+1/2,z,+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 0.16490 0.66490 0.50860
Mn1 Mn 0.00000 0.00000 0.00000
Si1 Si 0.63420 0.13420 0.94860
O1 O 0.00000 0.50000 0.14410
O2 O 0.07745 0.19903 0.18720
O3 O 0.63828 0.13828 0.25080

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Mn1 0.00000 0.00000 4.1(1) 0,0,mz
