#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/75/1537585.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_1537585
loop_
_publ_author_name
'Lindemann, W.'
_publ_section_title
;
 Beitrag zur Enstatitstruktur (Verfeinerung der Parameterwerte )
;
_journal_name_full
;
Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-)
;
_journal_page_first              226
_journal_page_last               233
_journal_volume                  1961
_journal_year                    1961
_chemical_formula_sum            'Mg O3 Si'
_chemical_name_systematic        'Mg (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                   18.211
_cell_length_b                   8.81
_cell_length_c                   5.203
_cell_volume                     834.764
_citation_journal_id_ASTM        NJMMAW
_cod_data_source_file            Lindemann_NJMMAW_1961_48.cif
_cod_data_source_block           Mg1O3Si1
_cod_original_cell_volume        834.7637
_cod_original_formula_sum        'Mg1 O3 Si1'
_cod_database_code               1537585
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
O2 O-2 0.065 0.14 0.23 1 0.0
Si1 Si+4 0.035 -0.342 0.284 1 0.0
Si2 Si+4 0.275 0.158 0.531 1 0.0
O1 O-2 0.061 -0.265 0.04 1 0.0
O6 O-2 0.19 -0.237 0.299 1 0.0
O5 O-2 0.311 0.003 0.52 1 0.0
O4 O-2 0.31 -0.35 0.53 1 0.0
Mg1 Mg+2 0.125 0.334 0.359 1 0.0
Mg2 Mg+2 0.125 -0.021 0.341 1 0.0
O3 O-2 0.065 0.501 0.255 1 0.0
