data_global
_chemical_name_mineral 'Larnite'
loop_
_publ_author_name
'Tsurumi T'
'Hirano Y'
'Kato H'
'Kamiya T'
'Daimon M'
_journal_name_full 'Ceramic Transactions'
_journal_volume 40 
_journal_year 1994
_journal_page_first 19
_journal_page_last 25
_publ_section_title
;
 Crystal structure and hydration of belite
;
_database_code_amcsd 0012179
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Ca2 Si O4'
_cell_length_a 5.5041
_cell_length_b 6.7622
_cell_length_c 9.3281
_cell_angle_alpha 90
_cell_angle_beta 94.172
_cell_angle_gamma 90
_cell_volume 346.270
_exptl_crystal_density_diffrn      3.304
_symmetry_space_group_name_H-M 'P 1 21/n 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ca1   0.23000   0.34200   0.43100
Ca2   0.22700   0.00000  -0.29400
Si   0.27000  -0.22000   0.41400
O1   0.21800   0.00900   0.44100
O2   0.02900  -0.32400   0.36900
O3   0.46000  -0.26000   0.31500
O4   0.32400  -0.31400  -0.42100

