#------------------------------------------------------------------------------
#$Date: 2024-04-18 17:56:43 +0200 (jue 18 de abr de 2024) $
#$Revision: 291269 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/03/9000392.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# 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_9000392
loop_
_publ_author_name
'Morimoto, N.'
'Tokonami, M.'
'Watanabe, M.'
'Koto, K.'
_publ_section_title
;
 Crystal structures of three polymorphs of Co2SiO4
 olivine
;
_journal_name_full               'American Mineralogist'
_journal_page_first              475
_journal_page_last               485
_journal_volume                  59
_journal_year                    1974
_chemical_formula_structural     'Co2 (Si O4)'
_chemical_formula_sum            'Co2 O4 Si'
_chemical_name_common            Co-Olivine
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.782
_cell_length_b                   10.302
_cell_length_c                   6.003
_cell_formula_units_Z            4
_cell_volume                     295.733
_database_code_amcsd             0000401
_exptl_crystal_density_diffrn    4.715
_cod_original_formula_sum        'Si Co2 O4'
_cod_database_code               9000392
_amcsd_formula_title             Co2SiO4
loop_
_space_group_symop_operation_xyz
x,y,z
x,y,1/2-z
-x,-y,1/2+z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
1/2-x,1/2+y,z
1/2+x,1/2-y,-z
-x,-y,-z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Si 0.00290 0.00699 0.00602 0.00025 0.00000 0.00000
Co1 0.00440 0.00807 0.00621 0.00025 -0.00029 -0.00063
Co2 0.00544 0.00699 0.00712 0.00025 0.00000 0.00000
O1 0.01008 0.00914 0.00748 0.00250 0.00000 0.00000
O2 0.00985 0.01075 0.00584 -0.00150 0.00000 0.00000
O3 0.00788 0.00914 0.00767 -0.00025 0.00102 -0.00063
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si 0.42920 0.09510 0.25000
Co1 0.00000 0.00000 0.00000
Co2 0.99170 0.27650 0.25000
O1 0.76620 0.09240 0.25000
O2 0.21210 0.45040 0.25000
O3 0.28350 0.16390 0.03490
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0000401
