#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 16:54:12
# Database entry: 0.74 Mn3Cu0.5Ge0.5N
# Cif-like file for the case 0.74


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                    'Mn3 Cu0 .5Ge0 .5N'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        77
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            020409(R)
_citation_year                  2008
_citation_DOI                   10.1103/PhysRevB.77.020409

loop_
_citation_author_name
"S. Iikubo"
"K. Kodama"
"K. Takenaka"
"H. Takagi"
"S. Shamoto"






_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     380
_experiment_temperature     15

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM5+ 3 3 special primary 1 .

_exptl_crystal_magnetic_properties_details
;
NPD
Not all possible models corresponding to single irrep orderings were checked.
unit cell parameters taken from pure Cu compound (icsd 628356)
moment components given non-significant digits to correspond to reported moment modulus.
Moment modulus: 2.5(3)
;

_active_magnetic_irreps_details
;
1k magnetic structure
;

_parent_space_group.name_H-M_alt  'P  m  -3m'
_parent_space_group.IT_number                       221
_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,b-c,a+b+c;0,0,0'


_space_group_magn.number_BNS  166.97
_space_group_magn.name_BNS  "R  -3m"
_space_group_magn.point_group_name  "-3m"
_space_group_magn.point_group_number  "20.1.71"
_cell_length_a                 3.90600
_cell_length_b                 3.90600
_cell_length_c                 3.90600
_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 z,x,y,+1
3 y,z,x,+1
4 -y,-x,-z,+1
5 -z,-y,-x,+1
6 -x,-z,-y,+1
7 -x,-y,-z,+1
8 -z,-x,-y,+1
9 -y,-z,-x,+1
10 y,x,z,+1
11 z,y,x,+1
12 x,z,y,+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
Cu1 Cu 0.00000 0.00000 0.00000 1
Mn1 Mn 0.00000 0.50000 0.50000 1
N1 N 0.50000 0.50000 0.50000 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
Mn1 0.0 -1.75 1.75 0,my,-my

