#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 17:13:00
# Database entry: 1.110 ScMn6Ge6
# Cif-like file for the case 1.110


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                    'Sc Mn6 Ge6'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "Journal of Magnetism and Magnetic Materials"
_citation_journal_volume        369
_citation_page_first            243
_citation_page_last             248
_citation_article_id            .
_citation_year                  2014
_citation_DOI                   10.1016/j.jmmm.2014.06.052

loop_
_citation_author_name
"P. Schobinger-Papamantellos"
"J. Rodriguez-Carvajal"
"K. Buschow"


_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     516
_experiment_temperature     309

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

_exptl_crystal_magnetic_properties_details
;
NPD
at 149 K, Mn moment: 2.08(4)
Mn layers in the form of Kagome lattices.
Below 100K an incommensurate phase with an additional propagation vector (0,0,g) is reported.
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (6 possible)
1-dim active irrep
;

_parent_space_group.name_H-M_alt  'P  6/m  m  m'
_parent_space_group.IT_number                       191
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [0 0 1/2]

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


_space_group_magn.number_BNS  192.252
_space_group_magn.name_BNS  "P_c  6/m  c  c"
_space_group_magn.point_group_name  "6/mmm1'"
_space_group_magn.point_group_number  "27.2.101"
_cell_length_a                 5.1822
_cell_length_b                 5.1822
_cell_length_c                 16.2204
_cell_angle_alpha              90.00
_cell_angle_beta               90.00
_cell_angle_gamma              120.00

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1
2 x-y,x,z,+1
3 -y,x-y,z,+1
4 -x,-y,z,+1
5 -x+y,-x,z,+1
6 y,-x+y,z,+1
7 x-y,-y,-z+1/2,+1
8 y,x,-z+1/2,+1
9 -x,-x+y,-z+1/2,+1
10 x,x-y,-z+1/2,+1
11 -x+y,y,-z+1/2,+1
12 -y,-x,-z+1/2,+1
13 -x,-y,-z,+1
14 -x+y,-x,-z,+1
15 y,-x+y,-z,+1
16 x,y,-z,+1
17 x-y,x,-z,+1
18 -y,x-y,-z,+1
19 -x+y,y,z+1/2,+1
20 -y,-x,z+1/2,+1
21 x,x-y,z+1/2,+1
22 -x,-x+y,z+1/2,+1
23 x-y,-y,z+1/2,+1
24 y,x,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,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
Mn1 Mn 0.50000 0.00000 0.1229 1
Ge1 Ge 0.333333 0.666667 0.25000 1
Ge2 Ge 0.333333 0.666667 0.00000 1
Ge3 Ge 0.00000 0.00000 0.169 1
Sc1 Sc 0.00000 0.00000 0.00000 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
Mn1 0.0 0.0 1.96(4) 0,0,mz

