#Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 06/08/2018 15:57:55
# Database entry: 1.143 Mn3Pt
# Cif-like file for the case 1.143


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                    'Mn3 Pt'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "Physical Review"
_citation_journal_volume        171
_citation_page_first            574
_citation_page_last             585
_citation_article_id            .
_citation_year                  1968
_citation_DOI                   10.1103/PhysRev.171.574

loop_
_citation_author_name
"E. Kren"
"G. Kadar"
"L. Pal"
"J. Solyom"
"P. Szabo"
"T. Tarnoczi"




_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               "."

_transition_temperature     475
_experiment_temperature     384

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mX2- 3 1 . primary 1 .

_exptl_crystal_magnetic_properties_details
;
NSD
Mn magnetic moment: 3.4(3)
see also Journal of Applied Physics 38, 1265 (1967)
Below 365K a k=0 triangular magnetic phase exists (see entry #0.109).
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
1-dim small 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 [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;0,0,1/4'


_space_group_magn.number_BNS  132.456
_space_group_magn.name_BNS  "P_c  4_2/m  c  m"
_space_group_magn.point_group_name  "4/mmm1'"
_space_group_magn.point_group_number  "15.2.54"
_cell_length_a                 3.83
_cell_length_b                 3.83
_cell_length_c                 7.66
_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,x,z+1/2,+1
3 y,-x,z+1/2,+1
4 x,-y,-z,+1
5 -x,y,-z,+1
6 -x,-y,z,+1
7 y,x,-z+1/2,+1
8 -y,-x,-z+1/2,+1
9 -x,-y,-z+1/2,+1
10 y,-x,-z,+1
11 -y,x,-z,+1
12 -x,y,z+1/2,+1
13 x,-y,z+1/2,+1
14 x,y,-z+1/2,+1
15 -y,-x,z,+1
16 y,x,z,+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
Pt1 Pt 0.00000 0.00000 0.00000 1
Mn1_1 Mn 0.00000 0.50000 0.25000 1
Mn1_2 Mn 0.50000 0.50000 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_1 0.0 0.0 3.4(3) 0,0,mz
Mn1_2 0.0 0.0 0.0 0,0,0

