#------------------------------------------------------------------------------
#$Date: 2015-01-27 19:58:39 +0000 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/00/1010023.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_1010023
loop_
_publ_author_name
'Miller, J J'
_publ_section_title
;
The crystal structure of anhydrous sodium chromate, Na~2~ Cr O~4~
;
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              131
_journal_page_last               136
_journal_volume                  94
_journal_year                    1936
_chemical_formula_structural     'Na2 Cr O4'
_chemical_formula_sum            'Cr Na2 O4'
_chemical_name_systematic        'Sodium chromate'
_space_group_IT_number           52
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      52
_symmetry_space_group_name_Hall  '-P 2n 2b'
_symmetry_space_group_name_H-M   'P b n n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.91
_cell_length_b                   9.23
_cell_length_c                   7.2
_cell_volume                     392.8
_exptl_crystal_density_meas      2.73
_cod_database_code               1010023
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,1/2-y,-z
1/2-x,y,1/2-z
1/2-x,1/2-y,1/2+z
-x,-y,-z
-x,1/2+y,z
1/2+x,-y,1/2+z
1/2+x,1/2+y,1/2-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Na1 Na1+ 4 d 0.25 0.45 0.25 1. 0 d
Na2 Na1+ 4 c -0.25 0.25 0. 1. 0 d
Cr1 Cr6+ 4 d 0.25 0.0972 0.25 1. 0 d
O1 O2- 8 e 0.0278 0.2 0.25 1. 0 d
O2 O2- 8 e 0.25 0. 0.0694 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Na1+ 1.000
Cr6+ 6.000
O2- -2.000