#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 06/05/2020

data_5yOhtAoR
_audit_creation_date            2020-05-06
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        101
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            ?
_citation_year                  140411(R)
_citation_DOI                   10.1103/PhysRevB.101.140411

loop_
_citation_author_name
"J.-R. Soh"
"F. de Juan"
"N. Qureshi"
"H. Jacobsen"
"H.-Y. Wang"
"Y.-F. Guo"
"A.T. Boothroyd"



_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature  380
_experiment_temperature  2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM6+  2  2  special  primary  2  .
mGM4+  1  1  .    secondary   1   no

_exptl_crystal_magnetic_properties_details
;
Spherical neutron polarimetry
Position structure from a determination at room temperature
The model agrees with one of the two alternative models proposed in previous literature for the similar compound Mn3Sn (see #0.199 and #0.200), namely the one in #0.200.
Mn moment: 2.65(2)
;

_active_magnetic_irreps_details
;
1k magnetic structure
2-dim irrep along a special direction as primary
The MSG allows FM along the direction (-1,1.0), for the domain orientation chosen in the present description, and along symmetry equivalent directions for the other domains.
Weak FM is detected with macroscopic measurements.
The FM on the ab plane is associated with the same irrep mGM6+ as the observed AFM arrangement
;

_parent_space_group.name_H-M_alt  'P 6_3/m m c'
_parent_space_group.IT_number                       194
_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,-a+b,c;0,0,0'



_space_group_magn.number_BNS  63.464
_space_group_magn.name_BNS  "C m' c m'"
_cell_length_a             5.30200
_cell_length_b             5.30200
_cell_length_c             4.28900
_cell_angle_alpha          90.00
_cell_angle_beta           90.00
_cell_angle_gamma          120.00

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1
2 -y,-x,-z+1/2,+1
3 -x,-y,-z,+1
4 y,x,z+1/2,+1
5 y,x,-z,-1
6 -x,-y,z+1/2,-1
7 -y,-x,z,-1
8 x,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
Ge1 Ge 0.33333 0.66667 0.25000
Mn1_1 Mn 0.83400 0.66800 0.25000
Mn1_2 Mn  0.83400 0.16600 0.25000

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_1 3.06 1.53 0.0 mx,my,0
Mn1_2 -1.53 1.53 0.0 mx,-mx,0


