#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/65/2106567.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_2106567
loop_
_publ_author_name
'Morimoto, N.'
'Nakajima, Y.'
'Syono, Y.'
'Akimoto, S.'
'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            'Mg O6 Si2 Zn'
_chemical_name_systematic        'Zn Mg Si2 O6'
_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            8
_cell_length_a                   18.201
_cell_length_b                   8.916
_cell_length_c                   5.209
_cell_volume                     845.317
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Morimoto_ACBCAR_1975_1951.cif
_cod_data_source_block           Mg1O6Si2Zn1
_cod_original_cell_volume        845.3172
_cod_original_formula_sum        'Mg1 O6 Si2 Zn1'
_cod_database_code               2106567
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
O3 O-2 0.304 0.267 0.336 1 0.0
Mg2 Mg+2 0.3757 0.4964 0.3769 0.36 0.0
O4 O-2 0.5633 0.337 0.792 1 0.0
O5 O-2 0.4329 0.482 0.696 1 0.0
O1 O-2 0.1847 0.338 0.049 1 0.0
Si1 Si+4 0.2731 0.3397 0.0652 1 0.0
O2 O-2 0.3104 0.504 0.067 1 0.0
Si2 Si+4 0.4731 0.1638 0.29 1 0.0
Mg1 Mg+2 0.1245 0.3491 0.3798 0.64 0.0
Zn1 Zn+2 0.1245 0.3491 0.3798 0.36 0.0
Zn2 Zn+2 0.3757 0.4964 0.3769 0.64 0.0
O6 O-2 0.4483 0.202 0.594 1 0.0
