#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 17/03/2018 16:45:58


data_5yOhtAoR
_audit_creation_date            2018-03-17
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "J. Phys.: Condens. Matter"
_citation_journal_volume        16
_citation_page_first            L321
_citation_page_last             L326
_citation_article_id            ?
_citation_year                  2004
_citation_DOI                   10.1088/0953-8984/16/28/L01

loop_
_citation_author_name
"J.R. Stewart"
"G. Ehlers"
"A.S. Wills"
"S.T. Bramwell"
"J.S. Gardner"




_atomic_positions_source_database_code_ICSD  24207
_atomic_positions_source_other               .

_transition_temperature  0.7
_experiment_temperature  0.05

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mL2-  4  1  special-2  primary  1  .

_exptl_crystal_magnetic_properties_details
;
NPD
diffuse scattering
This is the 4k structure considered as reference in the article, which reports an unspecified weak order of the Gd site with symmetry-forced zero moment. The presence of a non-zero moment on this site would imply a different lower symmetry for this phase.
spin modulus: 7.0
spin components given here with non-significant digits to yield the reported spin modulus
;

_active_magnetic_irreps_details
;
4k magnetic structure
4k-maximal symmetry (6 possible)
4-dim irrep active (11 possible MSGs possible for the same irrep involving from 1 to 4 k-vectors)
An alternative 1k model for this phase has been reported in PhysRevB.64, 140407 (2001) (see #1.56)
;

_parent_space_group.name_H-M_alt  'F  d  -3  m'
_parent_space_group.IT_number                       227
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [1/2 1/2 1/2]
k2 [-1/2 1/2 1/2]
k3 [1/2 -1/2 1/2]
k4 [1/2 1/2 -1/2]

_parent_space_group.child_transform_Pp_abc  '2a,2b,2c;15/8,3/8,15/8'
_space_group_magn.transform_BNS_Pp_abc  'a,b,c;0,0,0'



_space_group_magn.number_BNS  216.77
_space_group_magn.name_BNS  "F_S-43m"
_cell_length_a             20.37040
_cell_length_b             20.37040
_cell_length_c             20.37040
_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 z,x,y,+1
6 y,z,x,+1
7 -y,z,-x,+1
8 -z,-x,y,+1
9 -y,-z,x,+1
10 z,-x,-y,+1
11 y,-z,-x,+1
12 -z,x,-y,+1
13 -x,z,-y,+1
14 -x,-z,y,+1
15 -z,-y,x,+1
16 z,-y,-x,+1
17 y,-x,-z,+1
18 -y,x,-z,+1
19 -y,-x,z,+1
20 y,x,z,+1
21 x,-z,-y,+1
22 x,z,y,+1
23 -z,y,-x,+1
24 z,y,x,+1

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1
2 x,y+1/2,z+1/2,+1
3 x+1/2,y,z+1/2,+1
4 x+1/2,y+1/2,z,+1
5 x,y,z+1/2,-1
6 x,y+1/2,z,-1
7 x+1/2,y,z,-1
8 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
Gd1_1 Gd 0.06250 0.81250 0.06250
Gd1_2 Gd  0.31250 0.18750 0.18750
Ti1_1 Ti 0.31250 0.06250 0.31250
Ti1_2 Ti  0.06250 0.93750 0.43750
O1_1 O 0.12500 0.87500 0.12500
O1_2 O  0.50000 0.00000 0.25000
O1_3 O  0.25000 0.25000 0.25000
O2_1 O 0.27565 0.87500 0.12500
O2_2 O  0.12500 0.02565 0.12500
O2_3 O  0.50000 0.15065 0.25000
O2_4 O  0.50000 0.59935 0.50000
O2_5 O  0.09935 0.25000 0.25000

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Gd1_1 4.95 0.00000 -4.95 mx,0,-mx
Gd1_2 0.00000 0.00000 0.00000 0,0,0


