#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 17:05:36
# Database entry: 1.8 CeRu2Al10
# Cif-like file for the case 1.8


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                    'Ce Ru2 Al1 0'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        82
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            100405(R)
_citation_year                  2010
_citation_DOI                   10.1103/physrevb.82.100405

loop_
_citation_author_name
"D.D. Khalyavin"
"A.D. Hillier"
"D.T. Adroja"
"A.M. Strydom"
"P. Manuel"
"L.C. Chapon"
"P. Peratheepan"
"K. Knight"
"P. Deen"
"C. Ritter"
"Y. Muro"
"T. Takabatake"





_atomic_positions_source_database_code_ICSD   59912
_atomic_positions_source_other               .

_transition_temperature     27
_experiment_temperature     1.5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mY3- 1 1 . primary . .

_exptl_crystal_magnetic_properties_details
;
NPD
origin of structure is shifted (0,0,1/2) with respect to that used in icsd 59912
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (from 8 possible)
;

_parent_space_group.name_H-M_alt  'C  m  c  m'
_parent_space_group.IT_number                       63
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [1 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;1/4,1/4,0'


_space_group_magn.number_BNS  57.391
_space_group_magn.name_BNS  "P_C  b  c  m"
_space_group_magn.point_group_name  "mmm1'"
_space_group_magn.point_group_number  "8.2.25"
_cell_length_a                 9.1272
_cell_length_b                 10.2820
_cell_length_c                 9.1902
_cell_angle_alpha              90.0000
_cell_angle_beta               90.0000
_cell_angle_gamma              90.0000

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+1/2,y+1/2,-z+1/2,+1
4 -x+1/2,-y+1/2,z+1/2,+1
5 -x+1/2,-y+1/2,-z,+1
6 -x+1/2,y+1/2,z,+1
7 x,-y,z+1/2,+1
8 x,y,-z+1/2,+1

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1
2 x+1/2,y+1/2,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
Al1_1 Al 0.22480 0.36410 0.75000 1
Al2_1 Al 0.35090 0.13040 0.75000 1
Al3_1 Al 0.00000 0.16070 0.10110 1
Al4_1 Al 0.00000 0.37740 0.55040 1
Al5_1 Al 0.22760 0.00000 0.50000 1
Ru1_1 Ru 0.25000 0.25000 0.50000 1
Ce1_1 Ce 0.00000 0.12381 0.75000 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_1 0.0 0.0 -0.34(2) 0,0,mz

