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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/59/1525994.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_1525994
loop_
_publ_author_name
'Melo Jorge, M.E.'
'Correia dos Santos, A.'
'Nunes, M.R.'
_publ_section_title
;
 Effects of synthesis method on stoichiometry, structure and electrical
 conductivity of Ca Mn O3-d
;
_journal_name_full
'International Journal of Inorganic Materials'
_journal_page_first              915
_journal_page_last               921
_journal_volume                  3
_journal_year                    2001
_chemical_formula_sum            'Ca Mn O2.95'
_chemical_name_systematic        'Ca (Mn O2.95)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.281
_cell_length_b                   7.463
_cell_length_c                   5.271
_cell_volume                     207.741
_citation_journal_id_ASTM        IJIMCR
_cod_data_source_file            MeloJorge_IJIMCR_2001_1066.cif
_cod_data_source_block           Ca1Mn1O2.95
_cod_original_cell_volume        207.7412
_cod_original_formula_sum        'Ca1 Mn1 O2.95'
_cod_database_code               1525994
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-1/2,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Ca1 Ca+2 0.028 0.25 0.002 1 0.0
O2 O-2 0.291 0.037 0.709 0.9833 0.0
O1 O-2 0.491 0.25 0.053 0.9833 0.0
Mn1 Mn+3 0 0 0.5 1 0.0
