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#$Date: 2016-11-27 00:45:59 +0200 (Sun, 27 Nov 2016) $
#$Revision: 188696 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/46/1544671.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_1544671
loop_
_publ_author_name
'Tokonami, M.'
'Horiuchi, H.'
'Nakano, A.'
'Akimoto, S.'
'Morimoto, N.'
_publ_section_title
;
 The crystal structure of the pyroxene-type MnSiO3
;
_journal_name_full               'Mineralogical Journal'
_journal_page_first              424
_journal_page_last               426
_journal_volume                  9
_journal_year                    1979
_chemical_formula_sum            'Mn O3 Si'
_chemical_name_common            MnSiO3
_chemical_name_mineral           'MnSiO3 pyroxene'
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.22(1)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.864(2)
_cell_length_b                   9.17900
_cell_length_c                   5.298(1)
_cell_volume                     455.64(13)
_cod_data_source_file            MnSiO3-px.cif
_cod_data_source_block           MnSiO3-px
_cod_original_formula_sum        'Mn Si O3'
_cod_database_code               1544671
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
'-x, y+1/2, -z+1/2'
'x, -y+1/2, z+1/2'
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_B_iso_or_equiv
_atom_site_type_symbol
M1 1.0 0.25100(10) 0.65070(10) 0.2319(2) Biso 0.750000 Mn
M2 1.0 0.25350(10) 0.01810(10) 0.2292(2) Biso 0.970000 Mn
SiA 1.0 0.0431(2) 0.3385(2) 0.2862(4) Biso 0.490000 Si
SiB 1.0 0.5498(2) 0.8354(2) 0.2448(4) Biso 0.510000 Si
O1A 1.0 0.8709(7) 0.3413(7) 0.1788(10) Biso 0.630000 O
O2A 1.0 0.1206(7) 0.4942(7) 0.3362(10) Biso 0.760000 O
O3A 1.0 0.1024(7) 0.2633(7) 0.5870(11) Biso 0.770000 O
O1B 1.0 0.3774(7) 0.8410(7) 0.1454(10) Biso 0.650000 O
O2B 1.0 0.6294(7) 0.9815(7) 0.3750(11) Biso 0.880000 O
O3B 1.0 0.6017(7) 0.7106(7) 0.4851(11) Biso 0.730000 O
