data_global
_chemical_name_mineral 'Sanromanite'
loop_
_publ_author_name
'Schluter J'
'Malcherek T'
'Pohl D'
_journal_name_full 'Neues Jahrbuch fur Mineralogie, Abhandlungen'
_journal_volume 183 
_journal_year 2007
_journal_page_first 117
_journal_page_last 121
_publ_section_title
;
 Sanromanite, from the Santa Rosa mine, Atacama desert, Chile,
 a new mineral of the burbankite group
;
_database_code_amcsd 0014726
_chemical_compound_source 'Santa Rosa mine, near Iquique, Chile'
_chemical_formula_sum '(Na2 Ca) Pb3 C5 O15'
_cell_length_a 10.5702
_cell_length_b 10.5702
_cell_length_c 6.6509
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 643.543
_exptl_crystal_density_diffrn      5.200
_symmetry_space_group_name_H-M 'P 63 m c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-x+y,1/2+z'
  'x-y,x,1/2+z'
  '-y,-x,z'
  '-y,x-y,z'
  'x-y,-y,1/2+z'
  '-x,-y,1/2+z'
  'x,x-y,z'
  '-x+y,-x,z'
  'y,x,1/2+z'
  'y,-x+y,1/2+z'
  '-x+y,y,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
NaA   0.52324  -0.52324   0.31990   0.66667   0.01520
CaA   0.52324  -0.52324   0.31990   0.33333   0.01520
PbB   0.84317  -0.84317   0.00000   1.00000   0.01980
C1   0.79440  -0.79440   0.54960   1.00000   0.01100
C2   0.33333   0.66667   0.49500   1.00000   0.01300
C3   0.00000   0.00000   0.84600   1.00000   0.01000
O1   0.38480   0.08680   0.64060   1.00000   0.02000
O2   0.93040  -0.93040   0.35020   1.00000   0.02200
O3   0.40330  -0.40330   0.50710   1.00000   0.01800
O4   0.77220  -0.77220   0.37340   1.00000   0.01900
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
NaA 0.01120 0.01120 0.02200 0.00460 0.00030 -0.00030
CaA 0.01120 0.01120 0.02200 0.00460 0.00030 -0.00030
PbB 0.01830 0.01830 0.02230 0.00870 0.00020 -0.00020
C1 0.00900 0.00900 0.01400 0.00500 0.00000 0.00000
C2 0.01700 0.01700 0.00500 0.00900 0.00000 0.00000
C3 0.00800 0.00800 0.01500 0.00400 0.00000 0.00000
O1 0.02100 0.01400 0.02200 0.00700 -0.00700 0.00500
O2 0.01400 0.01400 0.03900 0.00800 0.00200 -0.00200
O3 0.02000 0.02000 0.01600 0.01300 -0.00200 0.00200
O4 0.02500 0.02500 0.01200 0.01700 -0.00200 0.00200