#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 17:15:57
# Database entry: 1.146 LaCrAsO
# Cif-like file for the case 1.146


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                    'La Cr As O'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "Inorganic Chemistry"
_citation_journal_volume        52
_citation_page_first            13363
_citation_page_last             13368
_citation_article_id            .
_citation_year                  2013
_citation_DOI                   10.1021/ic401487q

loop_
_citation_author_name
"S.-W. Park"
"H. Mizoguchi"
"K. Kodama"
"S.-i. Shamoto"
"T. Otomo"
"S. Matsuishi"
"T. Kamiya"
"H. Hosono"




_atomic_positions_source_database_code_ICSD   185855
_atomic_positions_source_other               .

_transition_temperature     ?
_experiment_temperature     300

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mZ4+ 1 1 . primary 1 .

_exptl_crystal_magnetic_properties_details
;
NPD
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (6 possible)
1-dim irrep active: irrep assignment equivalent to MSG
;

_parent_space_group.name_H-M_alt  'P  4/n  m  m'
_parent_space_group.IT_number                       129
_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  138.528
_space_group_magn.name_BNS  "P_c  4_2/n  c  m"
_space_group_magn.point_group_name  "4/mmm1'"
_space_group_magn.point_group_number  "15.2.54"
_cell_length_a                 4.04120
_cell_length_b                 4.04120
_cell_length_c                 17.97260
_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+1/2,x,z+1/2,+1
3 y,-x+1/2,z+1/2,+1
4 x+1/2,-y,-z+1/2,+1
5 -x,y+1/2,-z+1/2,+1
6 -x+1/2,-y+1/2,z,+1
7 y+1/2,x+1/2,-z,+1
8 -y,-x,-z,+1
9 -x,-y,-z,+1
10 y+1/2,-x,-z+1/2,+1
11 -y,x+1/2,-z+1/2,+1
12 -x+1/2,y,z+1/2,+1
13 x,-y+1/2,z+1/2,+1
14 x+1/2,y+1/2,-z,+1
15 -y+1/2,-x+1/2,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
La1 La 0.25000 0.25000 0.06825 1
Cr1 Cr 0.75000 0.25000 0.25000 1
O1 O 0.75000 0.25000 0.00000 1
As1 As 0.25000 0.25000 0.33125 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
Cr1 0.0 0.0 1.568 0,0,mz

