#Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 06/08/2018 15:58:11
# Database entry: 3.6 DyCu
# Cif-like file for the case 3.6


data_5yOhtAoR
_audit_creation_date            2018-06-08
_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                    'Dy Cu'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "Phys. Stat. Sol. (b)"
_citation_journal_volume        48
_citation_page_first            705
_citation_page_last             709
_citation_article_id            .
_citation_year                  1971
_citation_DOI                   10.1002/pssb.2220480229

loop_
_citation_author_name
"P.M. Wintenberger"
"R. Chamard-Bois"
"M. Belakhovsky"
"E.J. Pierre"




_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               "."

_transition_temperature     64
_experiment_temperature     4.2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mM2+ 3 1 special-2 primary 1 .

_exptl_crystal_magnetic_properties_details
;
NPD
A collinear model is undistinguishable for the diffraction data, but theoretical calculations and Mossbauer experiments favour this 3k model.
;

_active_magnetic_irreps_details
;
3k magnetic structure
k-maximal magnetic symmetry
;

_parent_space_group.name_H-M_alt  'P  m  -3m'
_parent_space_group.IT_number                       221
_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]
k2 [1/2 0 1/2]
k3 [0 1/2 1/2]

_parent_space_group.child_transform_Pp_abc  '2a,2b,2c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'a,b,c;0,0,0'


_space_group_magn.number_BNS  229.143
_space_group_magn.name_BNS  "I  m  -3m'  "
_space_group_magn.point_group_name  "m-3m'"
_space_group_magn.point_group_number  "32.4.121"
_cell_length_a                 6.908
_cell_length_b                 6.908
_cell_length_c                 6.908
_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
3 -x,y,-z,+1
4 -x,-y,z,+1
5 z,x,y,+1
6 y,z,x,+1
7 -y,z,-x,+1
8 -z,-x,y,+1
9 -y,-z,x,+1
10 z,-x,-y,+1
11 y,-z,-x,+1
12 -z,x,-y,+1
13 -x,-y,-z,+1
14 -x,y,z,+1
15 x,-y,z,+1
16 x,y,-z,+1
17 -z,-x,-y,+1
18 -y,-z,-x,+1
19 y,-z,x,+1
20 z,x,-y,+1
21 y,z,-x,+1
22 -z,x,y,+1
23 -y,z,x,+1
24 z,-x,y,+1
25 x,-z,y,-1
26 x,z,-y,-1
27 z,y,-x,-1
28 -z,y,x,-1
29 -y,x,z,-1
30 y,-x,z,-1
31 y,x,-z,-1
32 -y,-x,-z,-1
33 -x,z,y,-1
34 -x,-z,-y,-1
35 z,-y,x,-1
36 -z,-y,-x,-1
37 -x,z,-y,-1
38 -x,-z,y,-1
39 -z,-y,x,-1
40 z,-y,-x,-1
41 y,-x,-z,-1
42 -y,x,-z,-1
43 -y,-x,z,-1
44 y,x,z,-1
45 x,-z,-y,-1
46 x,z,y,-1
47 -z,y,-x,-1
48 z,y,x,-1

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1
2 x+1/2,y+1/2,z+1/2,+1

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1_1 Cu 0.00000 0.00000 0.00000 1
Cu1_2 Cu 0.00000 0.00000 0.50000 1
Dy1 Dy 0.25000 0.25000 0.25000 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
Dy1 4.98 4.98 4.98 mx,mx,mx

