#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 04/10/2020


data_5yOhtAoR
_audit_creation_date            2020-10-04
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "AIP Advances"
_citation_journal_volume        8
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            101407
_citation_year                  2018
_citation_DOI                   10.1063/1.5043124

loop_
_citation_author_name
"V.O. Garlea"
"M.A. McGuire"
"L.D. Sanjeewa"
"D.M. Pajerowski"
"F. Ye"
"J.W. Kolis"



_atomic_positions_source_database_code_ICSD  241679
_atomic_positions_source_other               .

_transition_temperature  45
_experiment_temperature  5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mLD1  2  1  special  primary  5  .

_exptl_crystal_magnetic_properties_details
;
NSD
Positional structure from a measurement at 300K
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (4 possible)
2-irrep as primary along a special direction
;

_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 [0 1/2 0]

_parent_space_group.child_transform_Pp_abc  'a,2b,c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'c,b,-a;1/4,1/8,0'



_space_group_magn.number_BNS  13.71
_space_group_magn.name_BNS  "P_b 2/c"
_cell_length_a             9.6568
_cell_length_b             19.1254
_cell_length_c             5.4139
_cell_angle_alpha          90.00
_cell_angle_beta           98.53
_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,-z,+1
3 -x+1/2,-y+1/4,-z,+1
4 x+1/2,-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

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Mn1_1 Mn 0.00000 0.07663 0.50000
Mn1_2 Mn  0.00000 0.42337 0.50000
Mn2_1 Mn 0.00000 0.34057 0.00000
Mn2_2 Mn  0.00000 0.15943 0.00000
Mn3 Mn 0.00000 0.25000 0.50000
V1 V 0.18922 0.00000 0.05513
O1 O 0.37210 0.00000 0.11650
O2_1 O 0.36690 0.32200 0.11810
O2_2 O  0.63310 0.67800 0.88190
O3 O 0.12560 0.00000 0.33580
O4_1 O 0.60660 0.08750 0.36450
O4_2 O  0.39340 0.91250 0.63550
H1_1 H 0.70000 0.08550 0.37700
H1_2 H  0.30000 0.91450 0.62300

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_1 0.00000 1.98(7) 0.00000 0,my,0
Mn1_2 0.00000 1.98 0.00000 0,my,0
Mn2_1 0.00000 -2.43(5) 0.00000 0,my,0
Mn2_2 0.00000 -2.43 0.00000 0,my,0
Mn3 0.00000 2.48(9) 0.00000 0,my,0

