#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/30/2017 16:45:29
# Database entry: 1.1.9 Ce2Pd2Sn
# Cif-like file for the case 1.1.9


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                    'Ce2 Pd2 Sn'
_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
"Rodriguez-Carvajal, J"

_atomic_positions_source_database_code_ICSD   107316
_atomic_positions_source_other               .

_transition_temperature     4.8
_experiment_temperature     4

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mDT4 4 1 . primary 2 .

_exptl_crystal_magnetic_properties_details
;
NSD
See also Laffargue et al. Solid State Communic. 100 (1996) 575-579.
Simple transversal modulation.
;

_active_magnetic_irreps_details
;
1k incommensurate magnetic structure
Active small irrep 1-dim. This irrep does NOT split Ce atoms into two orbits if the irrep is taken into account for the operations changing k into -k.
Symmetry correlates modulations of all Ce atoms. Only one Ce atom is independent. But modulations of Ce atoms related by inversion are not symmetry forced to be in phase.
Two free parameters in the magnetic modulation.
;

_parent_space_group.name_H-M_alt              'P 4/m b m'
_parent_space_group.IT_number             127
_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 0.105 0.00000 0.000000


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

_space_group.magn_ssg_name  "Pbam1'(a00)0s0s"
_space_group.magn_point_group_name  "mmm1'"
_space_group.magn_point_group_number  "8.2.25"
_cell_length_a                 7.7620(5)
_cell_length_b                 7.7620(5)
_cell_length_c                 3.9300(10)
_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,-x2,x3,-x4,+1
3 -x1+1/2,x2+1/2,-x3,-x4+1/2,+1
4 x1+1/2,-x2+1/2,-x3,x4+1/2,+1
5 -x1,-x2,-x3,-x4,+1
6 x1,x2,-x3,x4,+1
7 x1+1/2,-x2+1/2,x3,x4+1/2,+1
8 -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
Ce1 Ce 0.17810(10) 0.6781 0.5 1
Pd1 Pd 0.37340(10) 0.8734 0 1
Sn1 Sn 0 0 0 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
Ce1 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
Ce1 x 1 0 0 0 0
Ce1 y 1 0 0 0 0
Ce1 z 1 1.70(5) 0 mzc1 mzs1


