#Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 06/07/2018 21:26:11
# Database entry: 0.58 CoAl2O4
# Cif-like file for the case 0.58


data_5yOhtAoR
_audit_creation_date            2018-06-07
_audit_creation_method          "Bilbao Crystallographic Server"

_chemical_name_systematic
;
;
_chemical_name_common                    ?
_chemical_formula_moiety                 ?
_chemical_formula_structural             ?
_chemical_formula_analytical             ?
_chemical_formula_iupac                  ?
_chemical_formula_sum                    'Co Al2 O4'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        88
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            174415
_citation_year                  2013
_citation_DOI                   10.1103/physrevb.88.174415

loop_
_citation_author_name
"B. Roy"
"A. Pandey"
"Q. Zhang"
"T.W. Heitmann"
"D. Vaknin"
"D.C. Johnston"
"Y. Furukawa"






_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               "."

_transition_temperature     10
_experiment_temperature     ?

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM5- 3 3 special primary . .

_exptl_crystal_magnetic_properties_details
;
NPD
positional structure and unit cell at room temperature from XPD
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic structure (4 possible)
;

_parent_space_group.name_H-M_alt  'F  d  -3m'
_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 [0 0 0]

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


_space_group_magn.number_BNS  141.556
_space_group_magn.name_BNS  "I  4_1'/a'  m'  d"
_space_group_magn.point_group_name  "4'/m'm'm"
_space_group_magn.point_group_number  "15.5.57"
_cell_length_a                 8.1011
_cell_length_b                 8.1011
_cell_length_c                 8.1011
_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 y+1/4,x+3/4,-z+1/2,+1
3 -y,-x+1/2,-z+1/2,+1
4 -x+1/4,-y+1/4,z,+1
5 y+1/2,-x+3/4,-z+1/4,+1
6 -y+1/4,x,-z+1/4,+1
7 x+3/4,-y+1/2,z+1/4,+1
8 -x+1/2,y+3/4,z+1/4,+1
9 -y,x+1/4,z+1/4,-1
10 y+1/4,-x,z+1/4,-1
11 -x+3/4,y+1/2,-z+1/4,-1
12 x,-y+1/4,-z+1/4,-1
13 -x+1/2,-y,-z+1/2,-1
14 -y+1/4,-x+1/4,z,-1
15 y,x,z,-1
16 x+3/4,y+1/4,-z+1/2,-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

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Co1 Co2+ 0.12500 0.12500 0.12500 1
Al1 Al 0.50000 0.50000 0.50000 1
O1 O 0.26300 0.26300 0.26300 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 0.0 0.0 1.9(5) 0,0,mz

