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


data_5yOhtAoR
_audit_creation_date            2018-09-17
_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  21.7
_experiment_temperature  10

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM2-  1  1  .  primary  1  .

_exptl_crystal_magnetic_properties_details
;
NPD
See #0.193 for a similar model of this structure
See #0.384 and #0.385 for different models of this phase with lower symmetries
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (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  62.445
_space_group_magn.name_BNS  "P n m a'"
_cell_length_a             10.1877(3)
_cell_length_b             5.9073(2)
_cell_length_c             4.6891(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,z+1/2,+1
3 -x+1/2,y+1/2,z+1/2,+1
4 x,-y+1/2,z,+1
5 x+1/2,-y+1/2,-z+1/2,-1
6 -x,y+1/2,-z,-1
7 -x,-y,-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
Li1 Li 0.00000 0.00000 0.00000
P1 P 0.0942(4) 0.25 0.4173(8)
Co1 Co 0.2758(7) 0.25 0.983(2)
O1 O 0.0965(4) 0.25 0.746(1)
O2 O 0.4554(3) 0.25 0.2056(9)
O3 O 0.1664(3) 0.0438(4) 0.2801(6)

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 0.00000 3.28(4) 0.00000 0,my,0


