#------------------------------------------------------------------------------
#$Date: 2022-09-26 01:08:49 +0300 (Mon, 26 Sep 2022) $
#$Revision: 278161 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/10/00/1100018.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_1100018
loop_
_publ_author_name
'Benna, P'
'Chiari, G'
'Bruno, E'
_journal_name_full               'Mineralogy and Petrology'
_journal_page_first              71
_journal_page_last               84
_journal_paper_doi               10.1007/BF01164370
_journal_volume                  36
_journal_year                    1987
_chemical_formula_sum            'Ca0.8 Mg O6 Si2 Sr0.2'
_chemical_name_mineral           'Diopside strontian'
_chemical_name_systematic
;
Calcium strontium magnesium catena-disilicate (.8/.2/1/1)
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.67(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.758(3)
_cell_length_b                   8.973(3)
_cell_length_c                   5.253(1)
_cell_volume                     442.9
_cod_database_code               1100018
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,1/2-z
-x,-y,-z
x,-y,1/2+z
1/2+x,1/2+y,z
1/2-x,1/2+y,1/2-z
1/2-x,1/2-y,-z
1/2+x,1/2-y,1/2+z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Ca1 Ca2+ 4 e 0. 0.3021(1) 0.25 0.8 0 d
Sr1 Sr2+ 4 e 0. 0.3021(1) 0.25 0.2 0 d
Mg1 Mg2+ 4 e 0. 0.9081(1) 0.25 1. 0 d
Si1 Si4+ 8 f 0.2859(1) 0.0928(1) 0.2274(1) 1. 0 d
O1 O2- 8 f 0.1154(2) 0.0864(2) 0.1413(4) 1. 0 d
O2 O2- 8 f 0.3609(2) 0.2493(2) 0.3151(4) 1. 0 d
O3 O2- 8 f 0.3501(2) 0.0176(2) 0.9926(4) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Ca2+ 2.000
Sr2+ 2.000
Mg2+ 2.000
Si4+ 4.000
O2- -2.000
