#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 08/28/2019

data_5yOhtAoR
_audit_creation_date            2019-08-28
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Inorg. Chem."
_citation_journal_volume        55
_citation_page_first            11760
_citation_page_last             11769
_citation_article_id            ?
_citation_year                  2016
_citation_DOI                   10.1021/acs.inorgchem.6b01844

loop_
_citation_author_name
"L. Lander"
"M. Reynaud"
"J. Rodriguez-Carvajal"
"J.-M. Tarascon"
"G. Rousse"




_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     15
_experiment_temperature     2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM1- 1 1 . primary 3 .

_exptl_crystal_magnetic_properties_details
;
NPD
positional structure from a measurement at 30K
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (8 possible)
1-dim irrep active
;

_parent_space_group.name_H-M_alt  'P b c a'
_parent_space_group.IT_number                       61
_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  61.437
_space_group_magn.name_BNS  "P b' c' a'"
_space_group_magn.point_group_name  "m'm'm'"
_space_group_magn.point_group_number  "8.5.28"
_cell_length_a                 9.189069
_cell_length_b                 9.086616
_cell_length_c                 13.661843
_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
3 -x,y+1/2,-z+1/2,+1
4 -x+1/2,-y,z+1/2,+1
5 -x,-y,-z,-1
6 -x+1/2,y+1/2,z,-1
7 x,-y+1/2,z+1/2,-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 0.47500 0.72590 0.36600 1
Li2 Li 0.70200 0.55100 0.63310 1
Co1 Co 0.86830 0.60520 0.37330 1
S1 S 0.65900 0.81300 0.51010 1
S2 S 0.57390 0.43070 0.27370 1
O1 O 0.50170 0.79830 0.52390 1
O2 O 0.70730 0.96790 0.49450 1
O3 O 0.69340 0.73100 0.41860 1
O4 O 0.74420 0.75420 0.59360 1
O5 O 0.47880 0.49930 0.34880 1
O6 O 0.52280 0.46230 0.17250 1
O7 O 0.57520 0.26600 0.27470 1
O8 O 0.72390 0.48610 0.27610 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
Co1 0.0 0.0 3.11(5) mx,my,mz

