#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 19/03/2018 12:40:46

data_5yOhtAoR
_audit_creation_date            2018-03-19
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Eur. Phys. J. B"
_citation_journal_volume        24
_citation_page_first            59
_citation_page_last             70
_citation_article_id            ?
_citation_year                  2001
_citation_DOI                   10.1007/s100510170022

loop_
_citation_author_name
"E. Garcia-Matres"
"J. Martinez"
"J. Rodriguez-Carvajal"



_atomic_positions_source_database_code_ICSD  72631
_atomic_positions_source_other               .

_transition_temperature  15
_experiment_temperature  1.5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mR1+  2  1  .  primary  2  .
mR2+  2  1  .  primary  4  .

_exptl_crystal_magnetic_properties_details
;
NPD
;

_active_magnetic_irreps_details
;
1k magnetic structure
two irreps active for the same k-vector. The irrep star has 2 wave vectors. Possible alternative 2k spin arrangements not checked
The mR2+ contribution to the spin arrangement (spin components x and z) is very close to zero. If nullified, the magnetic symmetry is higher and the spins (mR1+ irrep) are forced to be along the b direction.
;

_parent_space_group.name_H-M_alt  'I  m  m  m'
_parent_space_group.IT_number                       71
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [1/2 0 1/2]

_parent_space_group.child_transform_Pp_abc  '2a,b,2c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  '1/4a+1/2b-1/4c,-1/4a+1/2b+1/4c,1/2a+b+1/2c;0,0,0'



_space_group_magn.number_BNS  2.7
_space_group_magn.name_BNS  "P_S-1"
_cell_length_a             7.50250
_cell_length_b             5.72140
_cell_length_c             22.49120
_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

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1
2 x+1/4,y+1/2,z+3/4,+1
3 x+1/2,y,z+1/2,+1
4 x+3/4,y+1/2,z+1/4,+1
5 x+1/4,y+1/2,z+1/4,-1
6 x+1/2,y,z,-1
7 x+3/4,y+1/2,z+3/4,-1
8 x,y,z+1/2,-1

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Tm1 Tm 0.25000 0.00000 0.10165
Ba1 Ba 0.25000 0.50000 0.00000
Ni1 Ni 0.00000 0.00000 0.00000
O1_1 O 0.00000 0.23990 0.07495
O1_2 O  0.00000 0.76010 0.07495
O2 O 0.00000 0.50000 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
Tm1 -0.6(2) 3.24(7) -0.5(4) mx,my,mz
Ni1 0.3(5) -1.1(1) 0.14(5) mx,my,mz


