#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/30/2017 16:45:31
# Database entry: 1.1.10 DyMn6Ge6
# Cif-like file for the case 1.1.10


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                    'Dy Mn6 Ge6'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "EPJ Web of Conferences"
_citation_journal_volume        22
_citation_page_first            .
_citation_page_last             .
_citation_article_id            00010
_citation_year                  2012
_citation_DOI                   10.1051/epjconf/20122200010

loop_
_citation_author_name
"J. Rodriguez-Carvajal"
"F. Bouree"




_atomic_positions_source_database_code_ICSD   57229
_atomic_positions_source_other               .

_transition_temperature     ?
_experiment_temperature     ?

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM2+ 1 1 . primary 2 .
mDT6 4 2 special primary 5 .

_exptl_crystal_magnetic_properties_details
;
NPD
See also Schobinger-Papamantellos et al., Journal of Alloys and Compounds, 215, 111 (1994); J. Magn. Magn. Mat. 150 , 311 (1995).
;

_active_magnetic_irreps_details
;
1k incommensurate magnetic structure
2 irreps active
incommensurate irrep is 4-dim: 5 distinct superspace groups possible for this irrep.
;

_parent_space_group.name_H-M_alt              'P 6/m m m'
_parent_space_group.IT_number             191
_parent_space_group.transform_Pp_abc    ''

_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 0.1651


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

_space_group.magn_ssg_name  "P62'2'(00\g)h00"
_space_group.magn_point_group_name  "62'2'"
_space_group.magn_point_group_number  "24.4.90"
_cell_length_a                 5.2081
_cell_length_b                 5.2081
_cell_length_c                 8.1522
_cell_angle_alpha              90
_cell_angle_beta               90
_cell_angle_gamma              120

loop_
_space_group_symop_magn_ssg_operation.id
_space_group_symop_magn_ssg_operation.algebraic
1 x1,x2,x3,x4,+1
2 -x2,x1-x2,x3,x4+1/3,+1
3 -x1+x2,-x1,x3,x4+2/3,+1
4 -x1,-x2,x3,x4+1/2,+1
5 x2,-x1+x2,x3,x4+5/6,+1
6 x1-x2,x1,x3,x4+1/6,+1
7 x2,x1,-x3,-x4+5/6,-1
8 x1-x2,-x2,-x3,-x4+1/2,-1
9 -x1,-x1+x2,-x3,-x4+1/6,-1
10 -x2,-x1,-x3,-x4+1/3,-1
11 -x1+x2,x2,-x3,-x4,-1
12 x1,x1-x2,-x3,-x4+2/3,-1

loop_
_space_group_symop_magn_ssg_centering.id
_space_group_symop_magn_ssg_centering.algebraic
1 x1,x2,x3,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
Dy1 Dy 0 0 0 1
Mn1 Mn 0.5 0 0.2510 1
Ge1 Ge 0.333333 0.666667 0 1
Ge2 Ge 0.333333 0.666667 0.5 1
Ge3 Ge 0 0 0.3447 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
Dy1 0 0 3.932 0,0,mz
Mn1 0 0 -1.149 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
Dy1 x 1 6.195546 3.577 1.73205*mxs1 mxs1
Dy1 y 1 0 7.154 0 2*mxs1
Dy1 z 1 0 0 0 0
Mn1 x 1 -1.877 -0.846 mxc1 mxs1
Mn1 y 1 -0.206 -2.049 myc1 mys1
Mn1 z 1 0 0 0 0


