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#$Date: 2016-02-21 09:49:01 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176808 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/41/1514109.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_1514109
loop_
_publ_author_name
'Miura, H.'
'Kudou, H.'
'Choi, J. H.'
'Hariya, Y.'
_publ_section_title
;
 The crystal structure of ramsdellite from Pirika mine
;
_journal_coden_ASTM              JFHGAJ
_journal_name_full
;
 Journal of the Faculty of Science, Hokkaido University, Series 4
;
_journal_page_first              611
_journal_page_last               617
_journal_volume                  22
_journal_year                    1990
_chemical_formula_structural     'Mn O2'
_chemical_formula_sum            'Mn O2'
_chemical_name_mineral           Ramsdellite
_chemical_name_systematic        'Manganese(IV) Oxide'
_space_group_IT_number           62
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_audit_creation_date             1999/06/02
_audit_update_record             2012/08/01
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   4.513(1)
_cell_length_b                   9.264(1)
_cell_length_c                   2.859(1)
_cell_volume                     119.53(5)
_refine_ls_R_factor_all          0.125
_cod_data_source_file            'data_MnO2melanie054114.cif'
_cod_data_source_block
/var/www/cod/tmp/uploads/1396024548.81-D290F29E9218B844.cif
_cod_original_cell_volume        119.53
_cod_original_formula_sum        'Mn1 O2'
_cod_database_code               1514109
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 '-x+1/2, y+1/2, z'
2 'x, y, -z+1/2'
3 'x+1/2, -y+1/2, z+1/2'
4 '-x, -y, -z'
5 'x+1/2, -y+1/2, -z'
6 '-x, -y, z+1/2'
7 '-x+1/2, y+1/2, -z+1/2'
8 '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
_atom_site_B_iso_or_equiv
Mn1 Mn4+ 4 c 0.029(3) 0.139(1) 0.25 1. 0 0.6
O1 O2- 4 c 0.215(13) -.209(5) 0.25 1. 0 0.8
O2 O2- 4 c -.277(8) -.055(6) 0.25 1. 0 0.8
loop_
_atom_type_symbol
_atom_type_oxidation_number
Mn4+ 4
O2- -2
loop_
_citation_id
_citation_journal_full
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Journal of the Faculty of Science, Hokkaido University, Series 4' 1990
22 611 617 JFHGAJ
