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#$Date: 2016-11-26 06:30:15 +0200 (Sat, 26 Nov 2016) $
#$Revision: 188683 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/46/1544667.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_1544667
loop_
_publ_author_name
'Tabira, Y.'
'Ishizawa, N.'
'Marumo, F.'
_publ_section_title
;
 Cobalt atoms at M(2) site in C2/c clinopyroxenes of the system CaMgSi2O6
 (Di)-CaCoSi2O6 (CaCoPx)
;
_journal_name_full               'Mineralogical Journal'
_journal_page_first              225
_journal_page_last               245
_journal_volume                  16
_journal_year                    1992
_chemical_formula_sum            'Ca0.97 Co0.199 Mg0.831 O6 Si2'
_chemical_name_common            Ca0.970Co0.199Mg0.831Si2O6
_chemical_name_mineral           'diopside Co-containing'
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.856(9)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.753(1)
_cell_length_b                   8.9261(8)
_cell_length_c                   5.2486(7)
_cell_volume                     439.54(9)
_cod_data_source_file            CaCoPx20.cif
_cod_data_source_block           CaCoPx20
_cod_original_formula_sum        'Ca0.970 Co0.199 Mg0.831 Si2 O6'
_cod_database_code               1544667
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
'-x, y, -z+1/2'
'x, -y, z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, -z'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -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
M2 0.9700 0.000000 0.30125(6) 0.250000 Biso 0.579280 Ca
M2' 0.0300 0.000000 0.262(3) 0.250000 Biso 0.574144 Co
M1 0.8310 0.000000 0.90804(9) 0.250000 Biso 0.395321 Mg
M1 0.1690 0.000000 0.90804(9) 0.250000 Biso 0.395321 Co
T 1.0 0.28663(2) 0.09317(2) 0.23036(4) Biso 0.308167 Si
O1 1.0 0.11623(5) 0.08771(6) 0.14319(10) Biso 0.237949 O
O2 1.0 0.36124(6) 0.24952(6) 0.31988(11) Biso 0.403736 O
O3 1.0 0.35050(5) 0.01817(6) 0.99539(10) Biso 0.306584 O
