#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 16:54:55
# Database entry: 0.92 CaMn2Sb2
# Cif-like file for the case 0.92


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                    'Ca Mn2 Sb2'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "Journal of Magnetism and Magnetic Materials"
_citation_journal_volume        321
_citation_page_first            2612
_citation_page_last             2616
_citation_article_id            .
_citation_year                  2009
_citation_DOI                   10.1016/j.jmmm.2009.03.054

loop_
_citation_author_name
"II W. Ratcliff"
"A.L. Sharma"
"A. Gomes"
"J. Gonzalez"
"Q. Huang"
"J. Singleton"






_atomic_positions_source_database_code_ICSD   163778
_atomic_positions_source_other               .

_transition_temperature     83
_experiment_temperature     5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM3- 2 2 special primary 1 .

_exptl_crystal_magnetic_properties_details
;
NPD
direction of moments on the ab plane was not resolved. Direction along a has been taken to have a symmetry not allowing a weak FM component along c
;

_active_magnetic_irreps_details
;
1k magnetic structure
2-dim irrep active. magnetic symmetry corresponds to one of its epikernels
Direction of the moments has been assumed alone a (equivalently along b, or along (1,1,0)) to produce a magnetic symmetry not allowing weak FM along c. For any other direction, weak FM is to be expected.
Symmetry-allowed linear magnetoelectric effect if insulator or semiconductor.
;

_parent_space_group.name_H-M_alt  'P  -3m  1'
_parent_space_group.IT_number                       164
_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+2b,-a,c;0,0,0'


_space_group_magn.number_BNS  12.60
_space_group_magn.name_BNS  "C  2'/m"
_space_group_magn.point_group_name  "2'/m"
_space_group_magn.point_group_number  "5.3.14"
_cell_length_a                 4.52850
_cell_length_b                 4.52850
_cell_length_c                 7.44530
_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,y,z,+1
3 x-y,-y,-z,-1
4 -x,-y,-z,-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
Ca1 Ca 0.00000 0.00000 0.00000 1
Mn1 Mn 0.33330 0.66670 0.61540 1
Sb1 Sb 0.33330 0.66670 0.24830 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 2.8 0.0 0.0 mx,0,0

