#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 23/02/2020

data_5yOhtAoR
_audit_creation_date            2020-02-23
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        100
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            214427
_citation_year                  2019
_citation_DOI                   10.1103/PhysRevB.100.214427

loop_
_citation_author_name
"A.H. Abdeldaim"
"D.I. Badrtdinov"
"A.S. Gibbs"
"P. Manuel"
"H.C. Walker"
"M.D. Le"
"C.H. Wu"
"D. Wardecki"
"S.-G. Eriksson"
"Y.O. Kvashnin"
"A.A. Tsirlin"
"G.J. Nilsen"



_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature  22
_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)
1-dim small irrep primary
;

_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+1/2c,-1/4a+1/4b,c;1/8,1/8,0'



_space_group_magn.number_BNS  2.7
_space_group_magn.name_BNS  "P_S -1"
_cell_length_a             16.35560
_cell_length_b             10.55680
_cell_length_c             15.60480
_cell_angle_alpha          90.00
_cell_angle_beta           94.86
_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+1/4,-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+1/2,+1
4 x+1/4,y+3/4,z,+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
8 x+3/4,y+3/4,z+1/2,+1
9 x,y,z+1/2,-1
10 x,y+1/2,z,-1
11 x+1/4,y+1/4,z,-1
12 x+1/4,y+3/4,z+1/2,-1
13 x+1/2,y,z,-1
14 x+1/2,y+1/2,z+1/2,-1
15 x+3/4,y+1/4,z+1/2,-1
16 x+3/4,y+3/4,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 0.31566 0.00000 0.14570
O1_1 O 0.01092 0.13150 0.15536
O1_2 O  0.98908 0.13150 0.84464
O2 O 0.38228 0.00000 0.21987
O3 O 0.34369 0.00000 0.05684

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 0.96(5) -0.04(1) 0.98(5) mx,my,mz

