#------------------------------------------------------------------------------
#$Date: 2009-11-18 16:56:34 +0200 (Wed, 18 Nov 2009) $
#$Revision: 858 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9000152.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_9000152
loop_
_publ_author_name
'Freed R L'
'Peacor D R'
_publ_section_title
;
 Refinement of the crystal structure of johannsenite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              709
_journal_page_last               720
_journal_volume                  52
_journal_year                    1967
_chemical_formula_sum            'Ca Mn O6 Si2'
_[local]_cod_chemical_formula_sum_orig 'Ca Mn Si2 O6'
_chemical_name_mineral           Johannsenite
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.48
_cell_angle_gamma                90
_cell_length_a                   9.978
_cell_length_b                   9.156
_cell_length_c                   5.293
_cell_volume                     466.019
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ca 0.00000 0.69810 0.75000 0.00735
Mn 0.00000 0.09470 0.75000 0.00608
Si 0.21290 0.40830 0.76370 0.00329
O1 0.37970 0.40700 0.84590 0.00494
O2 0.13680 0.25690 0.67050 0.00595
O3 0.15180 0.47940 0.00430 0.00507