#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 17:20:37
# Database entry: 3.8 NdZn
# Cif-like file for the case 3.8


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                    'Nd Zn'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "J. of Magnetism and Magn. Materials"
_citation_journal_volume        63-64
_citation_page_first            114
_citation_page_last             116
_citation_article_id            .
_citation_year                  1987
_citation_DOI                   10.1016/0304-8853(87)90539-7

loop_
_citation_author_name
"H. Fujii"
"Y. Uwatoko"
"K. Motoya"
"Y. Ito"
"T. Okamoto"




_atomic_positions_source_database_code_ICSD   646083
_atomic_positions_source_other               .

_transition_temperature     70
_experiment_temperature     ?

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mX3+ 3 1 special-2 primary 1 .

_exptl_crystal_magnetic_properties_details
;
NPD and macroscopic measurements.
Below 18K a 2k-structure is reported
Rough value of the magnetic moment, taken from the value reported for the 2k phase.
;

_active_magnetic_irreps_details
;
3k magnetic structure
3k-maximal magnetic symmetry
3-dim irrep active
;

_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 0 0]
k2 [0 1/2 0]
K3 [0 0 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  222.103
_space_group_magn.name_BNS  "P_I  n  -3n"
_space_group_magn.point_group_name  "m-3m1'"
_space_group_magn.point_group_number  "32.2.119"
_cell_length_a                 7.33800
_cell_length_b                 7.33800
_cell_length_c                 7.33800
_cell_angle_alpha              90.00000
_cell_angle_beta               90.00000
_cell_angle_gamma              90.00000

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.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
5 y,z,x,+1
6 y,-z+1/2,-x+1/2,+1
7 -y+1/2,z,-x+1/2,+1
8 -y+1/2,-z+1/2,x,+1
9 z,x,y,+1
10 z,-x+1/2,-y+1/2,+1
11 -z+1/2,x,-y+1/2,+1
12 -z+1/2,-x+1/2,y,+1
13 -y+1/2,-x+1/2,-z+1/2,+1
14 -y+1/2,x,z,+1
15 y,-x+1/2,z,+1
16 y,x,-z+1/2,+1
17 -x+1/2,-z+1/2,-y+1/2,+1
18 -x+1/2,z,y,+1
19 x,-z+1/2,y,+1
20 x,z,-y+1/2,+1
21 -z+1/2,-y+1/2,-x+1/2,+1
22 -z+1/2,y,x,+1
23 z,-y+1/2,x,+1
24 z,y,-x+1/2,+1
25 -x,-y,-z,+1
26 -x,y+1/2,z+1/2,+1
27 x+1/2,-y,z+1/2,+1
28 x+1/2,y+1/2,-z,+1
29 -y,-z,-x,+1
30 -y,z+1/2,x+1/2,+1
31 y+1/2,-z,x+1/2,+1
32 y+1/2,z+1/2,-x,+1
33 -z,-x,-y,+1
34 -z,x+1/2,y+1/2,+1
35 z+1/2,-x,y+1/2,+1
36 z+1/2,x+1/2,-y,+1
37 y+1/2,x+1/2,z+1/2,+1
38 y+1/2,-x,-z,+1
39 -y,x+1/2,-z,+1
40 -y,-x,z+1/2,+1
41 x+1/2,z+1/2,y+1/2,+1
42 x+1/2,-z,-y,+1
43 -x,z+1/2,-y,+1
44 -x,-z,y+1/2,+1
45 z+1/2,y+1/2,x+1/2,+1
46 z+1/2,-y,-x,+1
47 -z,y+1/2,-x,+1
48 -z,-y,x+1/2,+1
49 x+1/2,y+1/2,z+1/2,-1
50 x+1/2,-y,-z,-1
51 -x,y+1/2,-z,-1
52 -x,-y,z+1/2,-1
53 y+1/2,z+1/2,x+1/2,-1
54 y+1/2,-z,-x,-1
55 -y,z+1/2,-x,-1
56 -y,-z,x+1/2,-1
57 z+1/2,x+1/2,y+1/2,-1
58 z+1/2,-x,-y,-1
59 -z,x+1/2,-y,-1
60 -z,-x,y+1/2,-1
61 -y,-x,-z,-1
62 -y,x+1/2,z+1/2,-1
63 y+1/2,-x,z+1/2,-1
64 y+1/2,x+1/2,-z,-1
65 -x,-z,-y,-1
66 -x,z+1/2,y+1/2,-1
67 x+1/2,-z,y+1/2,-1
68 x+1/2,z+1/2,-y,-1
69 -z,-y,-x,-1
70 -z,y+1/2,x+1/2,-1
71 z+1/2,-y,x+1/2,-1
72 z+1/2,y+1/2,-x,-1
73 -x+1/2,-y+1/2,-z+1/2,-1
74 -x+1/2,y,z,-1
75 x,-y+1/2,z,-1
76 x,y,-z+1/2,-1
77 -y+1/2,-z+1/2,-x+1/2,-1
78 -y+1/2,z,x,-1
79 y,-z+1/2,x,-1
80 y,z,-x+1/2,-1
81 -z+1/2,-x+1/2,-y+1/2,-1
82 -z+1/2,x,y,-1
83 z,-x+1/2,y,-1
84 z,x,-y+1/2,-1
85 y,x,z,-1
86 y,-x+1/2,-z+1/2,-1
87 -y+1/2,x,-z+1/2,-1
88 -y+1/2,-x+1/2,z,-1
89 x,z,y,-1
90 x,-z+1/2,-y+1/2,-1
91 -x+1/2,z,-y+1/2,-1
92 -x+1/2,-z+1/2,y,-1
93 z,y,x,-1
94 z,-y+1/2,-x+1/2,-1
95 -z+1/2,y,-x+1/2,-1
96 -z+1/2,-y+1/2,x,-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
Nd1 Nd 0.00000 0.00000 0.00000 1
Zn1_1 Zn 0.75000 0.25000 0.25000 1
Zn1_2 Zn 0.75000 0.75000 0.75000 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
Nd1 1.45 1.45 1.45 mx,mx,mx

