#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 21/02/2020 
# beta angle of unit cell corrected 19/02/2026

data_5yOhtAoR
_audit_creation_date            2020-02-21
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Inorg. Chem."
_citation_journal_volume        59
_citation_page_first            1029
_citation_page_last             1037
_citation_article_id            ?
_citation_year                  2020
_citation_DOI                   10.1021/acs.inorgchem.9b02427

loop_
_citation_author_name
"L. D. Sanjeewa"
"V. O.Garlea"
"R. S. Fishman"
"M. A. McGuire"
"J. Xing"
"H. Cao"
"J. W. Kolis"
"A. S. Sefat"

_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature  10
_experiment_temperature  4

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM1  1  1  .  primary  3  .

_exptl_crystal_magnetic_properties_details
;
NSD
Positional structure from a room temperature determination, except for the Co position.
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (4 possible)
1-dim irrep as primary
;

_parent_space_group.name_H-M_alt  'P 2_1 2_1 2_1'
_parent_space_group.IT_number                       19
_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  19.25
_space_group_magn.name_BNS  "P 2_1 2_1 2_1"
_cell_length_a             6.01570
_cell_length_b             7.64500
_cell_length_c             9.29100
_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+1/2,-y+1/2,-z,+1 
3 -x,y+1/2,-z+1/2,+1 
4 -x+1/2,-y,z+1/2,+1 

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,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
Sr1 Sr 0.97628 0.13260 0.16927 1.
Co1 Co 0.254 0.243 0.495 1.
V1 V 0.51069 0.38331 0.18453 1.
O1 O 0.50410 0.89720 0.93380 1.
O2 O 0.49290 0.56040 0.06850 1.
O3 O 0.26600 0.35760 0.28010 1.
O4 O 0.74030 0.38760 0.29430 1.
O5 O 0.55500 0.21150 0.07420 1.
H1 H 0.54000 0.98600 0.99700 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
Co1 2.1(1) 2.1(1) 0.6(1) mx,my,mz

