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


data_5yOhtAoR
_audit_creation_date            2018-09-30
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Phys. Rev. B"
_citation_journal_volume        97
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            214402
_citation_year                  2018
_citation_DOI                   10.1103/PhysRevB.97.214402

loop_
_citation_author_name
"A.S. Sukhanov"
"S. Singh"
"L. Caron"
"T. Hansen"
"A. Hoser"
"V. Kumar"
"H. Borrmann"
"A. Fitch"
"P. Devi"
"K. Manna"
"C. Felser"
"D.S. Inosov"




_atomic_positions_source_database_code_ICSD  603343
_atomic_positions_source_other               .

_transition_temperature  ?
_experiment_temperature  300

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM6+  2  2  special  primary  2  .
mGM2+  1  1   .       primary  1  .
mGM4+  1  1   .       secondary  1  no
mGM5+  2  2  special  secondary  1  no


_exptl_crystal_magnetic_properties_details
;
NPD
Pressure induced phase with FM spin canting.
Spin arrangement at 2.25 GPa. Canting angle with respect to the xy plane: 40 degrees.
Between 1 and 4 GPa the canting angle along c uniformly increases.
Only very approximate values, taken in part from figures of the reference.
At zero pressure the phase is similar (a domain equivalent one) to the structure reported for Mn3Sn (see #0.200), with no spin canting. The spins lie on the xy plane and the structure has a higher magnetic space group (see #0.200), which forbids mz spin components.
Between 0 and 1 GPa, a pressure induced phase transition must take place into the lower symmetry of the present structure, which allows a spontaneous FM canting along c.
;

_active_magnetic_irreps_details
;
1k magnetic structure
The irrep mGM6+ corresponds to the spin arrangement without canting observed at zero pressure (see #0.200). The irrep mGM2+ is associated with the FM uniform mz component along c, which produces the spin canting and breaks further the symmetry.
;

_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+2b,-a,c;0,0,0'



_space_group_magn.number_BNS  12.62
_space_group_magn.name_BNS  "C 2'/m'"
_cell_length_a             5.352
_cell_length_b             5.352
_cell_length_c             4.312
_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 -x,-y,-z,+1
3 x-y,-y,-z,-1
4 -x+y,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
Mn1_1 Mn 0.83900 0.67800 0.25000
Mn1_2 Mn  0.32200 0.16100 0.25000
Ge1 Ge 0.33333 0.66667 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 0.75 1.50 1.1 mx,2mx,mz
Mn1_2 0.75 -0.75 1.1 mx,my,mz
