#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 04/19/2021 

data_5yOhtAoR
_audit_creation_date            2021-04-19
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Journal of AlAys and Compounds"
_citation_journal_volume        218
_citation_page_first            204
_citation_page_last             215
_citation_article_id            .
_citation_year                  1995
_citation_DOI                   10.1016/0925-8388(94)01378-0

loop_
_citation_author_name
"R. Welter"
"G. Venturini"
"E. Ressouche"
"B. Malaman"

_atomic_positions_source_database_code_ICSD  106911
_atomic_positions_source_other               .

_transition_temperature     100
_experiment_temperature     2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM5+ 2  2 special  primary  2  .
mLD4  2  1  general primary  2  .
mLD5  4  2  special primary  3  .
mLD3  2  1  special secondary 1  .

_exptl_crystal_magnetic_properties_details
;
NPD
FM along a
Polar along b
Figure in the paper is inconsistent with the propagation vector being reported. The propagation vector is assumed correct.
Three different phases reported as temperature is decreased. This is the one at the lowest temperature, where Nd moments become ordered.
;

_active_magnetic_irreps_details
;
1k incommensurate structure
Three irreps as primary: three order parameters in the sense of Landau theory are involved.
;

_parent_space_group.name_H-M_alt  'I 4/m m m'
_parent_space_group.IT_number                       139
_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 0.00000 0.00000 0.227(1)


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

_space_group.magn_ssg_name  "Im2'm'(0,0,g)s00"
_space_group.magn_point_group_name  "m'm2'"
_space_group.magn_point_group_number  7.3.22
_cell_length_a                 4.103(1)
_cell_length_b                 4.103(1)
_cell_length_c                 10.901(4)
_cell_angle_alpha              90.00000
_cell_angle_beta               90.00000
_cell_angle_gamma              90.00000

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

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

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Nd1 Nd 0.00000 0.00000 0.00000 1
Mn1 Mn 0.00000 0.50000 0.25000 1
Ge1 Ge 0.00000 0.00000 0.386(1) 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
Nd1 -2.35(24) 0.00000 0.00000 mx,0,0
Mn1 -1.52(24) 0.00000 0.00000 mx,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
Nd1 x 1 0.00000 0.00000 0 0
Nd1 y 1 0.00000 0.00000 Myc1 0
Nd1 z 1 0.00000 0.00000 0 Mzs1
Mn1 x 1 0.00000 0.00000 0 0
Mn1 y 1 0.00000 -2.26(9) Myc1 Mys1
Mn1 z 1 -2.26(9) 0.00000 Mzc1 Mzs1

