data_global
_chemical_name_mineral 'Sahamalite-(Ce)'
loop_
_publ_author_name
'Pertlik F'
'Preisinger A'
_journal_name_full 'Tschermaks Mineralogische und Petrographische Mitteilungen'
_journal_volume 31 
_journal_year 1983
_journal_page_first 39
_journal_page_last 46
_publ_section_title
;
 Crystal structure of sahamalite (Mg,Fe)RE2(CO3)4
;
_database_code_amcsd 0015692
_chemical_compound_source 'Mountain Pass mine, San Bernardino County, California'
_chemical_formula_sum '(Mg.86 Fe.14) (Ce La) C4 O12'
_cell_length_a 5.894
_cell_length_b 16.116
_cell_length_c 4.612
_cell_angle_alpha 90
_cell_angle_beta 106.54
_cell_angle_gamma 90
_cell_volume 419.956
_exptl_crystal_density_diffrn      4.332
_symmetry_space_group_name_H-M 'P 1 21/a 1'
loop_
_space_group_symop_operation_xyz
  'x,y,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_occupancy
MgM   0.00000   0.00000   0.00000   0.86000
FeM   0.00000   0.00000   0.00000   0.14000
CeRE   0.08173   0.34587   0.30511   0.50000
LaRE   0.08173   0.34587   0.30511   0.50000
C1   0.30840   0.04630   0.61200   1.00000
C2   0.52280   0.31150   0.81830   1.00000
O11   0.28250   0.04540   0.32730   1.00000
O12   0.41820   0.10720   0.76340   1.00000
O13   0.22730   0.98550   0.73920   1.00000
O21   0.68130   0.27870   0.04290   1.00000
O22   0.02860   0.77840   0.44540   1.00000
O23   0.09430   0.87690   0.15110   1.00000
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
MgM 0.00760 0.00658 0.00485 -0.00046 0.00266 -0.00180
FeM 0.00760 0.00658 0.00485 -0.00046 0.00266 -0.00180
CeRE 0.00985 0.00632 0.00805 0.00092 0.00147 -0.00014
LaRE 0.00985 0.00632 0.00805 0.00092 0.00147 -0.00014
C1 0.00598 0.00526 0.00663 0.00369 0.00025 0.00253
C2 0.00857 0.00921 0.01040 -0.00092 0.00139 -0.00217
O11 0.01132 0.01579 0.00782 -0.00185 0.00051 0.00000
O12 0.01488 0.01184 0.01020 -0.00092 0.00519 -0.00144
O13 0.01569 0.01053 0.01119 0.00000 0.00607 0.00289
O21 0.01278 0.00658 0.01159 0.00046 0.00127 0.00469
O22 0.01245 0.01711 0.01545 -0.00138 0.00354 0.00000
O23 0.01617 0.00789 0.01782 -0.00507 0.00228 0.00289