#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 02/05/2020

data_5yOhtAoR
_audit_creation_date            2020-05-02
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "J. Phys.: Condens. Matter"
_citation_journal_volume        29
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            045802
_citation_year                  2017
_citation_DOI                   10.1088/1361-648X/29/4/045802

loop_
_citation_author_name
"C. Ritter"
"A. Provino"
"P. Manfrinetti"
"A.K. Pathak"



_atomic_positions_source_database_code_ICSD  257400
_atomic_positions_source_other               .

_transition_temperature  26
_experiment_temperature  "> 22"

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mM5-  2  2  special  primary  1  .

_exptl_crystal_magnetic_properties_details
;
NPD
Position structure from a determination at room temperature
Below 22K another magnetic phase is reported with the moments taking an oblique direction with non-zero component along c (see #1.377).
The direction of the Ce moments on the ab plane is undetermined. Here the direction is chosen to coincide with the one reported in the subsequent phase below 22K.
Ce moment modulus: 0.97(2)
Ce moment components given with non-significant digits to yield the reported moment modulus
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (6 possible)
2-dim irrep along a special direction as primary
The z-component of the Ce moments at lower temperatures in a subsequent phase is associated with a second irrep: mM1- (see #1.377)
;

_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'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [1 1 1]

_parent_space_group.child_transform_Pp_abc  'a,b,c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'a+b,-a+b,c;3/4,1/4,1/4'



_space_group_magn.number_BNS  63.468
_space_group_magn.name_BNS  "C_A m c m"
_cell_length_a             4.3207
_cell_length_b             4.3207
_cell_length_c             15.8812
_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 y+1/2,x+1/2,-z+1/2,+1
3 -y,-x,-z,+1
4 -x+1/2,-y+1/2,z+1/2,+1
5 -x+1/2,-y+1/2,-z+1/2,+1
6 -y,-x,z,+1
7 y+1/2,x+1/2,z+1/2,+1
8 x,y,-z,+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+1/2,-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 0.00000 0.00000 0.32330 1.
Sc1 Sc 0.00000 0.50000 0.00000 0.912
Si1 Si 0.00000 0.00000 0.12010 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 0.685 0.685 0.00000 mx,mx,0

