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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/65/2106566.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_2106566
loop_
_publ_author_name
'Morimoto, N.'
'Akimoto, S.'
'Syono, Y.'
'Nakajima, Y.'
'Matsui, Y.'
_publ_section_title
;
 Crystal structures of pyroxene-type Zn Si O3 and Zn Mg Si2 O6
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1041
_journal_page_last               1049
_journal_volume                  31
_journal_year                    1975
_chemical_formula_sum            'O3 Si Zn'
_chemical_name_systematic        'Zn Si O3'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   18.204
_cell_length_b                   9.087
_cell_length_c                   5.278
_cell_volume                     873.085
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Morimoto_ACBCAR_1975_1950.cif
_cod_data_source_block           O3Si1Zn1
_cod_original_cell_volume        873.0854
_cod_original_formula_sum        'O3 Si1 Zn1'
_cod_database_code               2106566
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z
-x,y+1/2,-z+1/2
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z
x,-y-1/2,z-1/2
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
Si2 Si+4 0.473 0.1656 0.2839 1 0.0
Zn2 Zn+2 0.3761 0.5092 0.4005 1 0.0
O4 O-2 0.5621 0.3389 0.78 1 0.0
O3 O-2 0.3039 0.2521 0.34 1 0.0
O5 O-2 0.4327 0.4853 0.704 1 0.0
Zn1 Zn+2 0.1255 0.3559 0.4039 1 0.0
O6 O-2 0.4488 0.21 0.571 1 0.0
Si1 Si+4 0.2741 0.3363 0.0867 1 0.0
O2 O-2 0.3115 0.4966 0.104 1 0.0
O1 O-2 0.1853 0.3346 0.082 1 0.0
