#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 17:03:43
# Database entry: 0.166 Ce2PdGe3
# Cif-like file for the case 0.166


data_5yOhtAoR
_audit_creation_date            2017-11-19
_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 Pd Ge3'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        94
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            014418
_citation_year                  2016
_citation_DOI                   10.1103/PhysRevB.94.014418

loop_
_citation_author_name
"A. Bhattacharyya"
"C. Ritter"
"D.T. Adroja"
"F.C. Coomer"
"A.M. Strydom"






_atomic_positions_source_database_code_ICSD   427680
_atomic_positions_source_other               .

_transition_temperature     10.7
_experiment_temperature     ?

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
? ? ? ? ? ? ?

_exptl_crystal_magnetic_properties_details
;
NPD
phase below 10.7K and above 2.3K
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
1-dim irrep active
;

_parent_space_group.name_H-M_alt  'P  4_2/m  m  c'
_parent_space_group.IT_number                       131
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [0 0 0]

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


_space_group_magn.number_BNS  131.440
_space_group_magn.name_BNS  "P  4_2'/m'  m'  c"
_space_group_magn.point_group_name  "4'/m'm'm"
_space_group_magn.point_group_number  "15.5.57"
_cell_length_a                 4.24440
_cell_length_b                 4.24440
_cell_length_c                 14.79280
_cell_angle_alpha              90.00
_cell_angle_beta               90.00
_cell_angle_gamma              90.00

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1
2 x,-y,-z,+1
3 -x,y,-z,+1
4 -x,-y,z,+1
5 y,-x,-z+1/2,+1
6 -y,x,-z+1/2,+1
7 -y,-x,z+1/2,+1
8 y,x,z+1/2,+1
9 -y,x,z+1/2,-1
10 y,-x,z+1/2,-1
11 y,x,-z+1/2,-1
12 -y,-x,-z+1/2,-1
13 -x,-y,-z,-1
14 -x,y,z,-1
15 x,-y,z,-1
16 x,y,-z,-1

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+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 0.00000 0.50000 0.00000 1.
Ce2 Ce 0.50000 0.50000 0.25000 1.
Ge1 Ge 0.00000 0.00000 0.33323 1.
Ge2 Ge 0.00000 0.50000 0.41877 0.458
Pd1 Pd 0.00000 0.50000 0.41877 0.542

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 0,0,0
Ce2 0.0 0.0 -1.78(1) 0,0,mz

