#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 16:55:06
# Database entry: 0.96 CoSO4
# Cif-like file for the case 0.96


data_5yOhtAoR
_audit_creation_date            2017-11-19
_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 S O4'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "Phys. Rev."
_citation_journal_volume        129
_citation_page_first            1145
_citation_page_last             1147
_citation_article_id            .
_citation_year                  1963
_citation_DOI                   10.1103/PhysRev.129.1145

loop_
_citation_author_name
"P.J. Brown"
"B.C. Frazer"






_atomic_positions_source_database_code_ICSD   18175
_atomic_positions_source_other               .

_transition_temperature     ?
_experiment_temperature     4.2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
? ? ? ? ? ? ?

_exptl_crystal_magnetic_properties_details
;
NSD
beta-form of the compound
room temperature positional structure
modulus Co moment= 3.22(32)
also reported in J. Appl. Phys. 34, 1333 (1963).
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
1-dim irrep active: this means equivalence between the MSG and the irrep assignment.
;

_parent_space_group.name_H-M_alt  'P  n  m  a'
_parent_space_group.IT_number                       62
_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  62.441
_space_group_magn.name_BNS  "P  n  m  a"
_space_group_magn.point_group_name  "mmm"
_space_group_magn.point_group_number  "8.1.24"
_cell_length_a                 8.61000
_cell_length_b                 6.70000
_cell_length_c                 4.75000
_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+1/2,+1
3 -x,y+1/2,-z,+1
4 -x+1/2,-y,z+1/2,+1
5 -x,-y,-z,+1
6 -x+1/2,y+1/2,z+1/2,+1
7 x,-y+1/2,z,+1
8 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
Co1 Co 0.00000 0.00000 0.00000 1
S1 S 0.32000 0.25000 0.02600 1
O1 O 0.36700 0.25000 0.72200 1
O2 O 0.14600 0.25000 0.02600 1
O3 O 0.37300 0.07000 0.16100 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 1.5 1.66 2.31 mx,my,mz

