#------------------------------------------------------------------------------
#$Date: 2018-08-26 23:30:51 +0300 (Sun, 26 Aug 2018) $
#$Revision: 210176 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/30/03/4300312.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_4300312
loop_
_publ_author_name
'Gemmill, William R.'
'Smith, Mark D.'
'Prozorov, Ruslan'
'zur Loye, Hans-Conrad'
_publ_section_title
;
 Crystal Growth and Magnetic Properties of Lanthanide-Containing Osmium
 Double Perovskites, Ln2NaOsO6 (Ln = La, Pr, Nd)
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   8
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2639
_journal_page_last               2646
_journal_paper_doi               10.1021/ic048637x
_journal_volume                  44
_journal_year                    2005
_chemical_formula_moiety         'Na O6 Os Pr2'
_chemical_formula_sum            'Na O6 Os Pr2'
_chemical_formula_weight         591.01
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.8540(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   5.5427(2)
_cell_length_b                   5.9289(2)
_cell_length_c                   7.9509(3)
_cell_measurement_temperature    294(1)
_cell_volume                     261.254(16)
_diffrn_ambient_temperature      294(2)
_exptl_crystal_density_diffrn    7.513
_cod_duplicate_entry             4300901
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4300312
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pr1 Pr 0.48153(4) 0.06874(5) 0.25277(3) 0.00656(8) Uani 1 1 d . . .
Os1 Os 0.5000 0.5000 0.0000 0.00439(7) Uani 1 2 d S . .
Na1 Na 0.0000 0.0000 0.0000 0.0080(5) Uani 1 2 d S . .
O1 O 0.2078(6) 0.3272(6) 0.0508(4) 0.0077(6) Uani 1 1 d . . .
O2 O 0.6161(7) 0.4502(7) 0.2318(5) 0.0089(6) Uani 1 1 d . . .
O3 O 0.3363(6) 0.7809(7) 0.0674(5) 0.0093(6) Uani 1 1 d . . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pr1 O2 2.340(4) 2_645 ?
Pr1 O1 2.374(4) 2_545 ?
Pr1 O3 2.387(4) 1_545 ?
Pr1 O2 2.388(4) . ?
Pr1 O3 2.608(4) 2_545 ?
Pr1 O1 2.675(4) . ?
Pr1 O1 2.735(4) 4_666 ?
Pr1 O3 2.894(4) 3_665 ?
Pr1 Na1 3.2259(3) 2 ?
Pr1 Os1 3.2548(3) . ?
Pr1 Na1 3.3419(3) . ?
Pr1 Os1 3.3630(3) 2_545 ?
Os1 O1 1.964(3) 3_665 ?
Os1 O1 1.964(3) . ?
Os1 O2 1.965(4) 3_665 ?
Os1 O2 1.965(4) . ?
Os1 O3 1.974(4) 3_665 ?
Os1 O3 1.974(4) . ?
Os1 Pr1 3.2548(3) 3_665 ?
Os1 Pr1 3.3630(3) 2 ?
Os1 Pr1 3.3630(3) 4_665 ?
Os1 Pr1 3.4814(3) 2_655 ?
Os1 Pr1 3.4814(3) 4_565 ?
Na1 O2 2.256(4) 2_545 ?
Na1 O2 2.256(4) 4_565 ?
Na1 O1 2.289(4) . ?
Na1 O1 2.289(4) 3 ?
Na1 O3 2.328(4) 3_565 ?
Na1 O3 2.328(4) 1_545 ?
Na1 Pr1 3.2259(3) 2_545 ?
Na1 Pr1 3.2259(3) 4_565 ?
Na1 Pr1 3.3419(3) 3 ?
Na1 Pr1 3.5547(3) 3_655 ?
Na1 Pr1 3.5547(3) 1_455 ?
O1 Pr1 2.374(4) 2 ?
O1 Pr1 2.735(4) 4_565 ?
O2 Na1 2.256(4) 2 ?
O2 Pr1 2.340(4) 2_655 ?
O3 Na1 2.328(4) 1_565 ?
O3 Pr1 2.387(4) 1_565 ?
O3 Pr1 2.608(4) 2 ?
O3 Pr1 2.894(4) 3_665 ?
