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#$Date: 2019-11-07 22:29:05 +0200 (Thu, 07 Nov 2019) $
#$Revision: 223798 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/00/7700060.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7700060
loop_
_publ_author_name
'Yadav, Dileep Kumar'
'Sethi, Aanchal'
'Shalu, ?'
'Uma, S.'
_publ_section_title
;
 New series of honeycomb ordered oxides,
 Na₃M₂SbO₆ (M(ii) = Mn, Fe, (Mn, Fe),
 (Mn, Co)): synthesis, structure and magnetic properties.
;
_journal_issue                   24
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8955
_journal_page_last               8965
_journal_paper_doi               10.1039/c9dt01194c
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety         Na3Mn2SbO6
_chemical_formula_sum            'Mn2 Na3 O6 Sb'
_chemical_formula_weight         396.59
_chemical_properties_physical
Air-sensitive,Moisture-sensitive,Oxygen-sensitive
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_audit_update_record
;
2019-05-13 deposited with the CCDC.    2019-05-22 downloaded from the CCDC.
;
_cell_angle_alpha                90.0
_cell_angle_beta                 108.9854(31)
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   5.48987(25)
_cell_length_b                   9.4841(4)
_cell_length_c                   5.71090(20)
_cell_measurement_temperature    298
_cell_volume                     281.17(2)
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type  'Panalytical XPert Pro'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54175
_exptl_crystal_preparation       'Magnetic properties'
_pd_block_id                     2019-05-01T11:52|DS-21_phase1|dileep||
_pd_phase_name                   monoclinic
_cod_data_source_file            c9dt01194c2.cif
_cod_data_source_block           DS-21_phase_1
_cod_depositor_comments
'Adding full bibliography for 7700060--7700061.cif.'
_cod_original_cell_volume        281.171(11)
_cod_original_sg_symbol_Hall     -C2y
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_database_code               7700060
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,+y,-z
-1 -x,-y,-z
-2 +x,-y,+z
101 +x+1/2,+y+1/2,+z
102 -x+1/2,+y+1/2,-z
-101 -x+1/2,-y+1/2,-z
-102 +x+1/2,-y+1/2,+z
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_thermal_displace_type
_atom_site_U_iso_or_equiv
_atom_site_symmetry_multiplicity
Sb SB1 0.0 0.0 0.0 1.0 Uiso 0.0257(9) 2
Mn MN2 0.0 0.6664(5) 0.0 1.0 Uiso 0.0194(11) 4
Na NA3 0.0 0.5 0.5 1.0 Uiso 0.019(4) 2
Na NA4 0.5 0.3328(12) 0.5 1.0 Uiso 0.0259(22) 4
O O5 0.2873(21) 0.3443(11) 0.7906(15) 1.0 Uiso 0.0182(24) 8
O O6 0.2579(31) 0.5 0.1961(26) 1.0 Uiso 0.029(5) 4
loop_
_atom_type_symbol
_atom_type_number_in_cell
Sb 2.0
Mn 4.0
Na 6.0
O 12.0
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
O1 Sb O2 91.729
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Sb O1 2.01610(7)
