data_global
_chemical_name_mineral 'Monticellite'
loop_
_publ_author_name
'Sharp Z D'
'Hazen R M'
'Finger L W'
_journal_name_full 'American Mineralogist'
_journal_volume 72 
_journal_year 1987
_journal_page_first 748
_journal_page_last 755
_publ_section_title
;
 High-pressure crystal chemistry of monticellite, CaMgSiO4
 Sample; P = 41.2 kbar
;
_database_code_amcsd 0001101
_chemical_formula_sum 'Mg Ca Si O4'
_cell_length_a 4.779
_cell_length_b 10.922
_cell_length_c 6.317
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 329.724
_exptl_crystal_density_diffrn      3.152
_symmetry_space_group_name_H-M 'P b n m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Mg   0.00000   0.00000   0.00000   0.01203
Ca   0.97460   0.27610   0.25000   0.01292
Si   0.41020   0.08070   0.25000   0.01178
O1   0.74340   0.07760   0.25000   0.01672
O2   0.24900   0.44710   0.25000   0.00975
O3   0.27370   0.14760   0.04740   0.01292