#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 04/27/2020

data_5yOhtAoR
_audit_creation_date            2020-04-27
_audit_creation_method          "Bilbao Crystallographic Server"


_citation_journal_abbrev        "Chem. Eur. J"
_citation_journal_volume        24
_citation_page_first            388
_citation_page_last             399
_citation_article_id            .
_citation_year                  2018
_citation_DOI                   10.1002/chem.201703140.

loop_
_citation_author_name
"L. Mazzuca"
"L. Canadillas-Delgado"
"O. Fabelo"
"J.A. Rodriguez-Velamazan"
"J. Luzon"
"O. Vallcorba"
"V. Simonet"
"C.V. Colin"
"J. Rodriguez-Carvajal"



_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     15.9
_experiment_temperature     2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM4+ 1 1 . primary 3 .

_exptl_crystal_magnetic_properties_details
;
NPD
Position structure except for the unit cell parameters from a determination at 135K
Coexistence/metaestability with a different monoclinic phase, which is observed below around 80K
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (4 possible)
1-dim irrep as primary
weak FM along b (setting P2_1/n)
;

_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  62.448
_space_group_magn.name_BNS  "P n' m a'"
_space_group_magn.point_group_name  "m'm'm"
_space_group_magn.point_group_number  "8.4.27"
_cell_length_a                 8.23066
_cell_length_b                 11.6214
_cell_length_c                 8.14098
_cell_angle_alpha              90.0000
_cell_angle_beta               90.0000
_cell_angle_gamma              90.0000

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1
2 -x,y+1/2,-z,+1
3 -x,-y,-z,+1
4 x,-y+1/2,z,+1
5 x+1/2,-y+1/2,-z+1/2,-1
6 -x+1/2,-y,z+1/2,-1
7 -x+1/2,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
Co1 Co 0.5000 0.0000 0.0000 1
C1 C 0.71995(4) -0.02996(3) 0.27955(5) 1
C2 C 0.49025(6) 0.2500 0.05642(7) 1
C3 C 1.08538(8) 0.2500 -0.02413(10) 1
N1 N 0.91466(5) 0.2500 0.02987(6) 1
O1 O 0.59638(5) -0.07042(4) 0.21424(6) 1
O2 O 0.77307(5) -0.05992(4) 0.41823(6) 1
O3 O 0.47438(6) 0.15526(4) 0.12751(6) 1
H1 H 0.78834(19) 0.03569(15) 0.21325(19) 1
H2 H 0.5190(3) 0.2500 -0.0749(2) 1
H3 H 0.85355(14) 0.32201(10) -0.01311(17) 1
H4 H 0.9111(2) 0.2500 0.1558(2) 1
H5 H 1.1449(2) 0.32522(19) 0.0215(3) 1
H6 H 1.0890(3) 0.2500 -0.1566(3) 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 0.27(18) 0.68(12) 2.80(2) mx,my,mz

