#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/30/2017 16:45:39
# Database entry: 1.1.14 MnGe
# Cif-like file for the case 1.1.14


data_5yOhtAoR
_audit_creation_date            2017-11-30
_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                    'Mn Ge'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        85
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            205205
_citation_year                  2012
_citation_DOI                   10.1103/PhysRevB.85.205205

loop_
_citation_author_name
"O.L. Makarova"
"A.V. Tsvyashchenko"
"G. Andre"
"F. Porcher"
"L.N. Fomicheva"
"N. Rey"
"I. Mirebeau"




_atomic_positions_source_database_code_ICSD   187195
_atomic_positions_source_other               .

_transition_temperature     170
_experiment_temperature     2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mDT2 6 1 . primary 6 .

_exptl_crystal_magnetic_properties_details
;
NPD
Helical structure
Wave vector parameter g varies from 0.107 to 0.167 between TN and 30K.
The magnetic ordering breaks the symmetry from cubic to orthorhombic.
Symmetry reduction of the average structure to P212121, as expected from the MSSG.
Mn in general position of the MSSG with no constraint on its spin modulation.
Assumed helical model is not symmetry forced. Very poor fit.
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (2 possible)
one to one correspondence between MSSG and active irrep
Absolute chirality of the spin helix is not given. One helix sense has been chosen arbitrarily.
;

_parent_space_group.name_H-M_alt              'P 2_13'
_parent_space_group.IT_number             198
_parent_space_group.transform_Pp_abc    'a,b,c;0,0,0'

_cell_modulation_dimension               1

loop_
_cell_wave_vector_seq_id
_cell_wave_vector_x
_cell_wave_vector_y
_cell_wave_vector_z
1 0.000000 0.000000 0.167(4)


_parent_space_group.child_transform_Pp_abc  'a,b,c;0,0,0'

_space_group.magn_ssg_name  "P2121211'(00\g)00ss"
_space_group.magn_point_group_name  "2221'"
_space_group.magn_point_group_number  "6.2.18"
_cell_length_a                 4.781(3)
_cell_length_b                 4.781(3)
_cell_length_c                 4.794(1)
_cell_angle_alpha              90
_cell_angle_beta               90
_cell_angle_gamma              90

loop_
_space_group_symop_magn_ssg_operation.id
_space_group_symop_magn_ssg_operation.algebraic
1 x1,x2,x3,x4,+1
2 -x1+1/2,-x2,x3+1/2,x4+1/2,+1
3 -x1,x2+1/2,-x3+1/2,-x4,+1
4 x1+1/2,-x2+1/2,-x3,-x4+1/2,+1

loop_
_space_group_symop_magn_ssg_centering.id
_space_group_symop_magn_ssg_centering.algebraic
1 x1,x2,x3,x4,+1
2 x1,x2,x3,x4+1/2,-1

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mn1 Mn 0.142(12) 0.131(16) 0.136(11) 1
Ge1 Ge 0.845(6) 0.843(7) 0.842(6) 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 0 0,0,0

loop_
_atom_site_Fourier_wave_vector.seq_id
_atom_site_Fourier_wave_vector.q1_coeff
1 1

loop_
_atom_site_moment_Fourier.atom_site_label
_atom_site_moment_Fourier.axis
_atom_site_moment_Fourier.wave_vector_seq_id
_atom_site_moment_Fourier_param.cos
_atom_site_moment_Fourier_param.sin
_atom_site_moment_Fourier_param.cos_symmform
_atom_site_moment_Fourier_param.sin_symmform
Mn1 x 1 0 -2.3 mxc1 mxs1
Mn1 y 1 2.3(5) 0 myc1 mys1
Mn1 z 1 0 0 mzc1 mzs1


