data_global
_chemical_name_mineral 'Carbocernaite'
loop_
_publ_author_name
'Shi N'
'Ma Z'
'Peng Z'
_journal_name_full 'Kexue Tongbao'
_journal_volume 27 
_journal_year 1982
_journal_page_first 76
_journal_page_last 80
_publ_section_title
;
 The crystal structure of carbocernaite
;
_database_code_amcsd 0014176
_chemical_compound_source 'deposits of the Bayan Obo, Baotou, China'
_chemical_formula_sum 'Sr.44 Ce.4 Ba.11 (Ca.74 Na.26) C2 O6'
_cell_length_a 5.26
_cell_length_b 6.40
_cell_length_c 7.34
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 247.094
_exptl_crystal_density_diffrn      3.567
_symmetry_space_group_name_H-M 'P m c 21'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,-y,1/2+z'
  '-x,y,z'
  '-x,-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Sr   0.00000   0.11680   0.25550   0.44000   0.01786
Ce   0.00000   0.11680   0.25550   0.40000   0.01786
Ba   0.00000   0.11680   0.25550   0.11000   0.01786
Ca   0.50000   0.48440   0.54950   0.74000   0.02356
Na   0.50000   0.48440   0.54950   0.26000   0.02356
C1   0.00000   0.41760   0.84360   1.00000   0.01203
C2   0.50000   0.03430   0.57820   1.00000   0.02128
O1   0.20970   0.49070   0.29510   1.00000   0.02558
O2   0.28500   0.12880   0.54520   1.00000   0.03154
O3   0.00000   0.23130   0.92040   1.00000   0.03990
O4   0.50000   0.14330   0.14620   1.00000   0.03318
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
Sr 0.01582 0.00948 0.02658 0.00000 0.00000 -0.00062
Ce 0.01582 0.00948 0.02658 0.00000 0.00000 -0.00062
Ba 0.01582 0.00948 0.02658 0.00000 0.00000 -0.00062
Ca 0.01975 0.01924 0.03455 0.00000 0.00000 -0.00278
Na 0.01975 0.01924 0.03455 0.00000 0.00000 -0.00278
C1 0.02608 0.01874 0.03343 0.00379 0.00481 0.00100
C2 0.02812 0.01710 0.04774 -0.00418 -0.00227 0.00138
O1 0.03609 0.01886 0.05901 0.00000 0.00000 0.00050
O2 0.05078 0.00834 0.04774 0.00000 0.00000 0.00657
O3 0.02812 0.01164 0.01378 0.00000 0.00000 0.00443
O4 0.02216 0.01556 0.03229 0.00000 0.00000 0.00721