#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 18/09/2018 17:13:34

data_5yOhtAoR
_audit_creation_date            2018-09-18
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Phys. Rev. B"
_citation_journal_volume        98
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            094406
_citation_year                  2018
_citation_DOI                   10.1103/PhysRevB.98.094406

loop_
_citation_author_name
"J. Hembacher"
"D.I. Badrtdinov"
"L. Ding"
"Z. Sobczak"
"C. Ritter"
"V.V. Mazurenko"
"A.A. Tsirlin"




_atomic_positions_source_database_code_ICSD  79507
_atomic_positions_source_other               .

_transition_temperature  21
_experiment_temperature  1.5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mL1- 2  1 . primary  3  .

_exptl_crystal_magnetic_properties_details
;
NPD
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (1 possible)
The spin arrangement shown in the figure of the article corresponds to the propagation vector (1/2,-1/2,1/2) and not to the mentioned (1/2,1/2,1/2). Both vectors are in the irrep star and correspond to equivalent domains.
Positional structure taken from a icsd room temperature entry
Probably the model refined is not distinguishable for NPD data from a 2k structure with the two wave vectors of the star involved, which is not mentioned.
;

_parent_space_group.name_H-M_alt  'C 2/m'
_parent_space_group.IT_number                       12
_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  '1/4a+1/4b,-1/4a+1/4b-1/2c,-1/2a+1/2b;1/8,7/8,0'



_space_group_magn.number_BNS  2.7
_space_group_magn.name_BNS  "P_S -1"
_cell_length_a             16.42200
_cell_length_b             10.55140
_cell_length_c             15.63200
_cell_angle_alpha          90.00
_cell_angle_beta           94.78
_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+1/4,-y+3/4,-z,+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+1/4,y+1/4,z,+1
4 x+1/4,y+3/4,z+1/2,+1
5 x+1/2,y,z+1/2,+1
6 x+1/2,y+1/2,z,+1
7 x+3/4,y+1/4,z+1/2,+1
8 x+3/4,y+3/4,z,+1
9 x+3/4,y+1/4,z,-1
10 x+3/4,y+3/4,z+1/2,-1
11 x,y+1/2,z,-1
12 x,y,z+1/2,-1
13 x+1/4,y+1/4,z+1/2,-1
14 x+1/4,y+3/4,z,-1
15 x+1/2,y+1/2,z+1/2,-1
16 x+1/2,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 0.00000 0.00000 0.00000
Mo1 Mo 0.00000 0.00000 0.25000
P1 P 0.31470 0.00000 0.14495
O1_1 O 0.01210 0.13050 0.15615
O1_2 O  0.98790 0.13050 0.84385
O2 O 0.38260 0.00000 0.21960
O3 O 0.34310 0.00000 0.05610

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Mo1 0.82(3) 0.00000 0.84(3) mx,my,mz
