#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 05/10/2020


data_5yOhtAoR
_audit_creation_date            2020-05-10
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Inorg. Chem."
_citation_journal_volume        59
_citation_page_first            5883
_citation_page_last             5895
_citation_article_id            .
_citation_year                  2020
_citation_DOI                   10.1021/acs.inorgchem.9b03545

loop_
_citation_author_name
"S. Gnewuch"
"E.E. Rodriguez"



_atomic_positions_source_database_code_ICSD   .
_atomic_positions_source_other               .

_transition_temperature     33.7(2)
_experiment_temperature     10

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

_exptl_crystal_magnetic_properties_details
;
NPD
See also Urusova et al (Ferroelectrics 509, 74 (2017); DOI:10.1080/00150193.2017.1293442)
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic structure (8 possible)
1-dim irrep as primary
Symmetry-allowed linear magnetoelectricity
;


_parent_space_group.name_H-M_alt  'P n m a'
_parent_space_group.IT_number                       62
_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  62.449
_space_group_magn.name_BNS  "P n' m' a'"
_space_group_magn.point_group_name  "m'm'm'"
_space_group_magn.point_group_number  "8.5.28"
_cell_length_a                 10.4264(3)
_cell_length_b                 6.0909(2)
_cell_length_c                 4.7310(1)
_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+1/2,+1
3 -x,y+1/2,-z,+1
4 -x+1/2,-y,z+1/2,+1
5 -x,-y,-z,-1
6 -x+1/2,y+1/2,z+1/2,-1
7 x,-y+1/2,z,-1
8 x+1/2,y,-z+1/2,-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
_atom_site_occupancy
Li1 Li 0.00000 0.00000 0.00000 1
Mn1 Mn 0.2795(6) 0.25 0.976(1) 1
P1 P 0.0920(5) 0.25 0.413(1) 1
O1 O 0.0957(4) 0.25 0.734(1) 1
O2 O 0.4545(3) 0.25 0.212(1) 1
O3 O 0.1622(3) 0.0495(4) 0.2765(8) 1

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 4.28(3) 0.0 0.0 mx,0,mz

