#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 03/27/2021 

data_5yOhtAoR
_audit_creation_date            2021-03-27
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Journal of Alloys 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  106914
_atomic_positions_source_other               .

_transition_temperature     280
_experiment_temperature     2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM3+ 1  1  . primary  1  .
mLD5  4  2  special primary 2 .

_exptl_crystal_magnetic_properties_details
;
NPD
Conical modulation
Mn Moment magnitude: 2.8
A similar model at 142K with smaller moment of Pr (1.0(3)) is also given in the same reference.
The rotation of the spins in consecutive Mn layers related by the lattice translation (1/2,1/2,1/2) shown in the figure of the article is not consistent with the propagation vector. The propagation vector has been assumed correct.
The MSSG used in the description here fixes the phase origin of the modulation, in a value that is different from the one used in the graphical representation in the paper. Apply a phase shift of apprx. -0.33 to obtain a graphical representation with approximately the same phase choice.
;

_active_magnetic_irreps_details
;
1k incommensurate magnetic structure
k-maximal magnetic symmetry
Two irreps as primary: two order parameters in the sense of Landau theory are present
;

_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 0.268(1)

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

_space_group.magn_ssg_name  "I42'2'(0,0,g)q00"
_space_group.magn_point_group_name  "42'2'"
_space_group.magn_point_group_number  12.4.43
_cell_length_a                 4.113(l)
_cell_length_b                 4.113(l)
_cell_length_c                 10.896(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
4 -x1,-x2,x3,x4+1/2,+1
5 -x2,-x1,-x3,-x4+1/4,-1
6 -x2,x1,x3,x4+1/4,+1
7 x2,-x1,x3,x4+3/4,+1
8 x2,x1,-x3,-x4+3/4,-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
Pr1 Pr 0.00000 0.00000 0.00000 1
Mn1 Mn 0.00000 0.50000 0.25000 1
Ge1 Ge 0.00000 0.00000 0.381(l) 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
Pr1 0.00000 0.00000 2.95(20) 0,0,mz
Mn1 0.00000 0.00000 1.48(25) 0,0,mz

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
Pr1 x 1 0.00000 0.00000 mxc1 0
Pr1 y 1 0.00000 0.00000 0 mxc1
Pr1 z 1 0.00000 0.00000 0 0
Mn1 x 1 0        2.40(10)   mxc1 myc1
Mn1 y 1 2.40(10) 0          myc1 mxc1
Mn1 z 1 0.00000 0.00000     0 0


