#------------------------------------------------------------------------------
#$Date: 2016-02-14 15:26:36 +0100 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/51/61/1516110.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_1516110
loop_
_publ_author_name
'Glemser, O.'
'Hauschild, U.'
'Truepel, F.'
_publ_section_title
;
 Ueber Chromoxyde zwischen Cr2 O3 und Cr O3
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              113
_journal_page_last               208
_journal_paper_doi               10.1002/zaac.19542770302
_journal_volume                  277
_journal_year                    1954
_chemical_formula_structural     'Cr O2'
_chemical_formula_sum            'Cr O2'
_chemical_name_systematic        'Chromium Oxide'
_space_group_IT_number           136
_symmetry_Int_Tables_number      136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   4.41
_cell_length_b                   4.41
_cell_length_c                   2.91
_cell_volume                     56.594
_cod_data_source_file            CrO2-Rutile.cif
_cod_data_source_block           chromium_oxide
_cod_original_cell_volume        56.59
_cod_original_formula_sum        'Cr1 O2'
_cod_database_code               1516110
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 '-y+1/2, x+1/2, -z+1/2'
2 'y+1/2, -x+1/2, -z+1/2'
3 'y, x, -z'
4 '-y, -x, -z'
5 'y+1/2, -x+1/2, z+1/2'
6 '-y+1/2, x+1/2, z+1/2'
7 '-y, -x, z'
8 'y, x, z'
9 'x+1/2, -y+1/2, -z+1/2'
10 '-x+1/2, y+1/2, -z+1/2'
11 'x, y, -z'
12 '-x, -y, -z'
13 '-x+1/2, y+1/2, z+1/2'
14 'x+1/2, -y+1/2, z+1/2'
15 '-x, -y, z'
16 'x, y, 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
Cr1 Cr4+ 2 a 0 0 0 1. 0
O1 O2- 4 f 0.3 0.3 0 1. 0
loop_
_atom_type_symbol
_atom_type_oxidation_number
Cr4+ 4
O2- -2
