#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 29/04/2020


data_5yOhtAoR
_audit_creation_date            2020-04-29
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        96
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            024417
_citation_year                  2017
_citation_DOI                   10.1103/PhysRevB.96.024417

loop_
_citation_author_name
"A.I. Kurbakov"
"A.N. Korshunov"
"S.Y. Podchezertsev"
"A.L. Malyshev"
"M.A. Evstigneeva"
"F. Damay"
"J. Park"
"C. Koo"
"R. Klingeler"
"E.A. Zvereva"
"V.B. Nalbandyan"



_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature  ?
_experiment_temperature  ?

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mV1-  2  1  .  primary  3  .

_exptl_crystal_magnetic_properties_details
;
NPD
Position structure from a determination at room temperature
Ni moment modulus: 1.62(2)
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (2 possible)
1-dim small (k,-k)  irrep as primary.
;

_parent_space_group.name_H-M_alt  'C 2/m'
_parent_space_group.IT_number                       12
_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 0]

_parent_space_group.child_transform_Pp_abc  '2a,2b,c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'c,-1/4a+1/4b,-1/2a-1/2b;1/8,1/8,0'



_space_group_magn.number_BNS  2.7
_space_group_magn.name_BNS  "P_S -1"
_cell_length_a             10.36870
_cell_length_b             17.94240
_cell_length_c             5.16100
_cell_angle_alpha          90.00
_cell_angle_beta           109.70
_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+1/4,-y+1/4,-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+3/4,z,+1
3 x+1/2,y+1/2,z,+1
4 x+3/4,y+1/4,z,+1
5 x+3/4,y+3/4,z,-1
6 x,y+1/2,z,-1
7 x+1/4,y+1/4,z,-1
8 x+1/2,y,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
Ni1 Ni 0.00000 0.16667 0.00000 0.95
Sb1 Sb 0.00000 0.16667 0.00000 0.05
Sb2 Sb 0.00000 0.00000 0.00000 0.9
Ni2 Ni 0.00000 0.00000 0.00000 0.1
O1 O 0.37985 0.00000 0.22580 1.
O2_1 O 0.11825 0.07820 0.23320 1.
O2_2 O  0.88175 0.07820 0.76680 1.
Li1 Li 0.00000 0.08150 0.50000 1.
Li2 Li 0.00000 0.25000 0.50000 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
Ni1 0.58 0.00000 1.72 mx,my,mz

