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#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/68/2106826.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2106826
loop_
_publ_author_name
'Ansell, G.B.'
'Horowitz, H.S.'
'Modrick, M.A.'
'Longo, J.M.'
'Poeppelmeier, K.R.'
_publ_section_title
;
 Structure of Calcium Manganese Oxide Ca2 Mn3 O8
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1795
_journal_page_last               1797
_journal_volume                  38
_journal_year                    1982
_chemical_formula_sum            'Ca2 Mn3 O8'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 109.73
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.014
_cell_length_b                   5.851
_cell_length_c                   4.942
_cell_volume                     299.780
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Ansell_ACBCAR_1982_316.cif
_cod_data_source_block           Ca2Mn3O8
_cod_original_cell_volume        299.7803
_cod_database_code               2106826
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-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
Mn2 Mn+4 0 0.25914 0 1 0.0
O3 O-2 0.60385 0 0.96258 1 0.0
Ca1 Ca+2 0.72442 0 0.66593 1 0.0
Mn1 Mn+4 0 0 0.5 1 0.0
O1 O-2 0.10059 0.22158 0.39171 1 0.0
O2 O-2 0.59726 0.5 0.90202 1 0.0
