#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 17:15:03
# Database entry: 1.134 Co2C10O8H2
# Cif-like file for the case 1.134


data_5yOhtAoR
_audit_creation_date            2017-11-19
_audit_creation_method          "Bilbao Crystallographic Server"

_chemical_name_systematic
;
;
_chemical_name_common                    ?
_chemical_formula_moiety                 ?
_chemical_formula_structural             ?
_chemical_formula_analytical             ?
_chemical_formula_iupac                  ?
_chemical_formula_sum                    'Co2 C1 0O8 H2'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "Inorg. Chem."
_citation_journal_volume        52
_citation_page_first            12818
_citation_page_last             12827
_citation_article_id            .
_citation_year                  2013
_citation_DOI                   10.1021/ic4021

loop_
_citation_author_name
"Fabelo, O."

_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     16
_experiment_temperature     2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
? ? ? ? ? ? ?

_exptl_crystal_magnetic_properties_details
;
NPD
;

_active_magnetic_irreps_details
;
1k mangetic structure
k-maximal magnetic symmetry (4 possible)
1-dim irrep active (i.e. equivalence between MSG and irrep assignment)
weak FM reported in this phase is not consistent with the symmetry of the magnetic ordering
;

_parent_space_group.name_H-M_alt  'C  2/m'
_parent_space_group.IT_number                       12
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [0 1 0]

_parent_space_group.child_transform_Pp_abc  'a,b,c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'a,b,c;1/4,1/4,0'


_space_group_magn.number_BNS  11.57
_space_group_magn.name_BNS  "P_C  2_1/m"
_space_group_magn.point_group_name  "2/m1'"
_space_group_magn.point_group_number  "5.2.13"
_cell_length_a                 6.14530
_cell_length_b                 17.46500
_cell_length_c                 4.55250
_cell_angle_alpha              90.00
_cell_angle_beta               115.76
_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+1/2,-y+1/2,-z,+1
4 x,-y,z,+1

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1
2 x+1/2,y+1/2,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 0.00000 0.21032 0.50000 1
O1 O 0.24020 0.30017 0.71130 1
O2 O 0.20570 0.13417 0.84330 1
C1 C 0.21320 0.35980 0.85430 1
C2 C 0.09100 0.42998 0.66030 1
C3 C 0.67550 0.00000 0.81380 1
H3 H 0.79370 0.00000 0.02840 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 3.26(5) 0.0 1.90(22) mx,0,mz

