data_global
_amcsd_formula_title 'Ca O4 Si Sr'
loop_
_publ_author_name
'Il'inets A'
'Nevskii N'
'Ilyukhin V'
'Bikbau M'
'Belov N'
_journal_name_full 'Doklady Akademii Nauk SSSR'
_journal_volume 267 
_journal_year 1982
_journal_page_first 641
_journal_page_last 644
_publ_section_title
;
 The crystal structure of alpha'-modification of dicalcium silicate Ca
 (Ca, Sr) Si O4
 _cod_database_code 1100022
;
_database_code_amcsd 0018223
_chemical_formula_sum 'Sr Ca Si O4'
_cell_length_a 20.871
_cell_length_b 9.496
_cell_length_c 5.600
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1109.870
_exptl_crystal_density_diffrn      3.946
_symmetry_space_group_name_H-M 'P n a 21'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+y,1/2+z'
  '-x,-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Sr1   0.27900   0.42100   0.74000
Sr2   0.44500   0.07800   0.76600
Sr3   0.11100   0.07800   0.75200
Ca1   0.00100   0.20000   0.26700
Ca2   0.33500   0.20000   0.23700
Ca3   0.16800   0.29900   0.24600
Si1   0.25900   0.08300   0.74000
Si2   0.42700   0.41600   0.74900
Si3   0.09200   0.41600   0.76000
O1   0.11100   0.06500   0.31800
O2   0.44500   0.06700   0.32200
O3   0.24900   0.19400   0.53100
O4   0.06500   0.32800   0.98700
O5   0.22700   0.15600   0.98100
O6   0.08300   0.30900   0.54200
O7   0.28100   0.43600   0.30000
O8   0.33300   0.06100   0.82000
O9   0.16600   0.43100   0.81300
O10   0.40300   0.32800   0.97800
O11   0.00200   0.05600   0.75300
O12   0.40300   0.34100   0.50000