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 = 53.0 kbar
;
_database_code_amcsd 0001102
_chemical_formula_sum 'Mg Ca Si O4'
_cell_length_a 4.770
_cell_length_b 10.882
_cell_length_c 6.305
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 327.275
_exptl_crystal_density_diffrn      3.176
_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   0.01343
Ca   0.97440   0.27540   0.25000   0.01292
Si   0.41170   0.08070   0.25000   0.01115
O1   0.74730   0.07700   0.25000   0.01672
O2   0.24740   0.44560   0.25000   0.01482
O3   0.27230   0.14720   0.04490   0.01165