# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 22/02/2018 17:23:24

data_5yOhtAoR
_audit_creation_date            2018-02-22
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Journal of Solid State Chemistry"
_citation_journal_volume        251
_citation_page_first            33
_citation_page_last             42
_citation_article_id            ?
_citation_year                  2017
_citation_DOI                   10.1016/j.jssc.2017.04.009

loop_
_citation_author_name
"A. Morozkin"
"A. Garshev"
"A. Knotko"
"V. Yapaskurt"
"O. Isnard"
"J. Yao"
"R. Nirmala"
"S. Quezado"
"S. Malik"




_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature  137
_experiment_temperature  53

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM4+  1  1  .  primary  6  .

_exptl_crystal_magnetic_properties_details
;
NPD
atomic positions from an X-ray experiment apparently at 290K
Below 38K another magnetic structure with spin reorientation is reported (see #0.173)
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (8 possible)
1-dim irrep active
The magnetic symmetry attributed to the structure in the original article is wrong. The correct magnetic space group is used here, assuming tables and figures are correct.
;

_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 [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  63.464
_space_group_magn.name_BNS  "C  m'  c  m'"
_cell_length_a             4.0751
_cell_length_b             10.0979
_cell_length_c             12.29425
_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+1/2,+1
3 -x,-y,-z,+1
4 x,-y,z+1/2,+1
5 x,-y,-z,-1
6 -x,-y,z+1/2,-1
7 -x,y,z,-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
Tb1 Tb 0.00000 0.28630 0.60470 1.
Tb2 Tb 0.00000 0.00250 0.25000 1.
Co1 Co 0.00000 0.42460 0.09020 1.
Co2 Co 0.00000 0.30190 0.25000 1.
Co3 Co 0.00000 0.00000 0.00000 0.5
Al1 Al 0.00000 0.00000 0.00000 0.5

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Tb1 0.00000 7.8(1) -4.02(7) 0,my,mz
Tb2 0.00000 5.5(1) 0.00000 0,my,0
Co1 0.00000 -0.35(5) -0.18(5) 0,my,mz
Co2 0.00000 -0.18(5) 0.00000 0,my,0


