data_global
_chemical_name_mineral 'Rouvilleite'
loop_
_publ_author_name
'Yamnova N A'
'Pushcharovskii D Yu'
'Khomyakov A P'
'Vyatkin S V'
_journal_name_full 'Soviet Physics Crystallography'
_journal_volume 36 
_journal_year 1991
_journal_page_first 14
_journal_page_last 16
_publ_section_title
;
 Crystal structure of the new natural fluorocarbonate Na3Ca(Mn,Ca)(CO3)3F
;
_database_code_amcsd 0015588
_chemical_compound_source 'hydrothermalites, Lovozero alkaline massif, Kola Peninsula, Russia'
_chemical_formula_sum 'Na3 Ca1.361 Mn.439 Fe.06 Y.034 Dy.02 C3 O9 F.987'
_cell_length_a 8.012
_cell_length_b 15.79
_cell_length_c 7.019
_cell_angle_alpha 90
_cell_angle_beta 100.78
_cell_angle_gamma 90
_cell_volume 872.300
_exptl_crystal_density_diffrn      2.711
_symmetry_space_group_name_H-M 'C 1 c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-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
Na1   0.05970   0.10960   0.18250   1.00000   0.01646
Na2   0.05780   0.88520   0.18100   1.00000   0.01659
Na3   0.42470   0.17410   0.02010   1.00000   0.02609
Ca1   0.19231   0.51002   0.34615   1.00000   0.01165
Mn2   0.44250   0.81066   0.03330   0.43900   0.01621
Ca2   0.44250   0.81066   0.03330   0.36100   0.01621
Fe2   0.44250   0.81066   0.03330   0.06000   0.01621
Y2   0.44250   0.81066   0.03330   0.03400   0.01621
Dy2   0.44250   0.81066   0.03330   0.02000   0.01621
C1   0.24380   0.30740   0.30290   1.00000   0.01393
C2   0.24790   0.69550   0.30750   1.00000   0.01393
C3   0.32410  -0.00500  -0.00410   1.00000   0.01267
O1   0.48810   0.00330   0.04440   1.00000   0.02406
O2   0.10430   0.65560   0.31240   1.00000   0.02153
O3   0.26260   0.91990  -0.02350   1.00000   0.02786
O4   0.22780   0.94130   0.46650   1.00000   0.02786
O5   0.38390   0.65970   0.38780   1.00000   0.03166
O6   0.24600   0.76620   0.22330   1.00000   0.02280
O7   0.39160   0.32170   0.40610   1.00000   0.02660
O8   0.21310   0.23810   0.20850   1.00000   0.02533
O9   0.12400   0.36280   0.29540   1.00000   0.02406
F   0.36510   0.49950   0.13470   0.98700   0.01735