#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 17:00:01
# Database entry: 0.132 Fe(N(CN2))2
# Cif-like file for the case 0.132


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                    'Fe (N (C N2 ))2'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "Physical Review B"
_citation_journal_volume        67
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            144406
_citation_year                  2003
_citation_DOI                   10.1103/PhysRevB.67.144406

loop_
_citation_author_name
"A. Lappas"
"A.S. Wills"
"M.A. Green"
"K. Prassides"
"M. Kurmoo"






_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     19
_experiment_temperature     1.7

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 magnetic structure
k-maximal magnetic symmetry (4 possible)
1-dim irrep active
canted FM along b (point group m'mm' in the parent setting).
Not clear if the relative sign of the components Ma and Mb could be determined or is unknown. Here the relative signs depicted in Fig. 6 have been taken
;

_parent_space_group.name_H-M_alt  'P  n  n  m'
_parent_space_group.IT_number                       58
_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  '-b,a,c;0,0,0'


_space_group_magn.number_BNS  58.398
_space_group_magn.name_BNS  "P  n  n'  m'  "
_space_group_magn.point_group_name  "m'm'm"
_space_group_magn.point_group_number  "8.4.27"
_cell_length_a                 6.0362(3)
_cell_length_b                 7.1195(2)
_cell_length_c                 7.4455(2)
_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,-z,+1
4 x+1/2,-y+1/2,z+1/2,+1
5 x+1/2,-y+1/2,-z+1/2,-1
6 -x,-y,z,-1
7 -x+1/2,y+1/2,z+1/2,-1
8 x,y,-z,-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
Fe1 Mn 0.00000 0.00000 0.00000 1
C1 C 0.2724(5) -0.1454(4) 0.3493(3) 1
N1 N 0.2165(3) -0.0933(2) 0.2085(2) 1
N2 N 0.1573(4) 0.2793(4) 0.00000 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
Fe1 -3.99 1.01 0.0 mx,my,0

