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 = 29.1 kbar
 Note: Cannot reproduce many of the published bond lengths
;
_database_code_amcsd 0001100
_chemical_formula_sum 'Mg Ca Si O4'
_cell_length_a 4.793
_cell_length_b 10.971
_cell_length_c 6.335
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 333.120
_exptl_crystal_density_diffrn      3.120
_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
Mg1   0.00000   0.00000   0.00000   0.01305
Ca2   0.97510   0.27650   0.25000   0.01241
Si   0.41170   0.08110   0.25000   0.01026
O1   0.73890   0.07660   0.25000   0.01988
O2   0.25140   0.44830   0.25000   0.01102
O3   0.27310   0.14710   0.04530   0.01520