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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/1/54/21/1542157.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_1542157
loop_
_publ_author_name
'Pannhorst, W.'
_publ_section_title
;
 High temperature crystal structure refinements of low-clinoenstatite up
 to 700 degrees C
;
_journal_name_full
;
Neues Jahrbuch fuer Mineralogie. Abhandlungen (Band-Nr) (1950-)
;
_journal_page_first              219
_journal_page_last               228
_journal_volume                  150
_journal_year                    1984
_chemical_formula_sum            'Mg O3 Si'
_chemical_name_systematic        'Mg (Si O3)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.6
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.675
_cell_length_b                   8.889
_cell_length_c                   5.207
_cell_volume                     424.418
_citation_journal_id_ASTM        NJMIAK
_cod_data_source_file            Pannhorst_NJMIAK_1984_1951.cif
_cod_data_source_block           Mg1O3Si1
_cod_original_cell_volume        424.4179
_cod_original_formula_sum        'Mg1 O3 Si1'
_cod_database_code               1542157
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-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 0.1052 0.276 0.609 1 0.0
O1 O-2 0.8687 0.341 0.18 1 0.0
O4 O-2 0.3748 0.841 0.127 1 0.0
Mg2 Mg+2 0.2556 0.0135 0.2186 1 0.0
Si2 Si+4 0.5525 0.8372 0.2341 1 0.0
Mg1 Mg+2 0.2509 0.6518 0.2213 1 0.0
O5 O-2 0.6341 0.984 0.387 1 0.0
Si1 Si+4 0.0441 0.3403 0.2922 1 0.0
O6 O-2 0.6018 0.697 0.459 1 0.0
O2 O-2 0.1227 0.5 0.324 1 0.0
