#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 19/12/2020

data_5yOhtAoR
_audit_creation_date            2020-12-19
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        102
_citation_page_first            .
_citation_page_last             .
_citation_article_id            214420
_citation_year                  2020
_citation_DOI                   10.1103/PhysRevB.102.214420

loop_
_citation_author_name
"A.N. Korshunov"
"A.I. Kurbakov"
"I.A. Safiulina"
"A.E. Susloparova"
"V.Y. Pomjakushin"
"T. Mueller"



_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature  8
_experiment_temperature  1.7

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mR1  2  2  special  primary  3  .

_exptl_crystal_magnetic_properties_details
;
NPD
Position structure, except Mn position, from a determination at 1.9K
The graphical depiction of the model in the article does seem to correspond to a domain related arrangement, which has a different conjugated MSG.
Here the MSG, as described in the text of the article, is used.
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
2-dim irrep along a special direction as primary
;

_parent_space_group.name_H-M_alt  'P m n 2_1'
_parent_space_group.IT_number                       31
_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  '-c,b,1/2a+1/2c;0,0,0'



_space_group_magn.number_BNS  9.41
_space_group_magn.name_BNS  "C_a c"
_cell_length_a             12.93460
_cell_length_b             10.09420
_cell_length_c             10.93400
_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+1/4,-y,z+1/4,+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+1/2,y,z+1/2,+1
4 x+1/2,y+1/2,z,+1
5 x,y,z+1/2,-1
6 x,y+1/2,z,-1
7 x+1/2,y,z,-1
8 x+1/2,y+1/2,z+1/2,-1

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Li1_1 Li 0.12495 0.16550 0.00010
Li1_2 Li  0.12505 0.83450 0.25010
Mn1 Mn 0.00000 0.08725 0.25000
Ge1 Ge 0.00000 0.41095 0.00480
O1_1 O 0.11135 0.33645 0.44665
O1_2 O  0.13865 0.66355 0.69665
O2 O 0.00000 0.06645 0.45415
O3 O 0.00000 0.40895 0.17920

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
Mn1 1.75(3) 2.45(4) 3.86(2) mx,my,mz 4.9

