data_global
_chemical_name_mineral 'Meionite'
loop_
_publ_author_name
'Antao S M'
'Hassan I'
_journal_name_full 'American Mineralogist'
_journal_volume 93 
_journal_year 2008
_journal_page_first 1470
_journal_page_last 1477
_publ_section_title
;
 Unusual Al-Si ordering in calcic scapolite, Me79.6, with increasing temperature
 T = 25 C (HRPXRD)
;
_database_code_amcsd 0004640
_chemical_formula_sum '(Ca3.176 Na.824) (Si7.32 Al4.68) C.834 S.146 O27.084'
_cell_length_a 12.16711
_cell_length_b 12.16711
_cell_length_c 7.575466
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1121.461
_exptl_crystal_density_diffrn      2.743
_symmetry_space_group_name_H-M 'I 4/m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  'y,-x,-z'
  '1/2+y,1/2-x,1/2-z'
  '-y,x,z'
  '1/2-y,1/2+x,1/2+z'
  'x,y,-z'
  '1/2+x,1/2+y,1/2-z'
  '-x,-y,z'
  '1/2-x,1/2-y,1/2+z'
  '-y,x,-z'
  '1/2-y,1/2+x,1/2-z'
  'y,-x,z'
  '1/2+y,1/2-x,1/2+z'
  '-x,-y,-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
CaM   0.35820   0.28300   0.00000   0.79400   0.02710
NaM   0.35820   0.28300   0.00000   0.20600   0.02710
SiTl   0.16040   0.09200   0.00000   0.75000   0.01380
AlTl   0.16040   0.09200   0.00000   0.25000   0.01380
SiT2   0.16030   0.41310   0.20680   0.54000   0.01550
AlT2   0.16030   0.41310   0.20680   0.46000   0.01550
CA   0.50000   0.50000   0.00000   0.83400   0.00670
SA   0.50000   0.50000   0.00000   0.14600   0.00670
O1   0.04110   0.15050   0.00000   1.00000   0.01800
O2   0.18570   0.37430   0.00000   1.00000   0.02010
O3   0.45020   0.14960   0.20680   1.00000   0.02640
O4   0.26640   0.36650   0.67350   1.00000   0.02670
O5S   0.39300   0.48930   0.12760   0.07300   0.10800
O6C   0.60100   0.51420   0.00000   0.62500   0.10800
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
CaM 0.01720 0.02350 0.04070 0.00570 0.00000 0.00000
NaM 0.01720 0.02350 0.04070 0.00570 0.00000 0.00000
SiTl 0.01190 0.01290 0.01650 0.00210 0.00000 0.00000
AlTl 0.01190 0.01290 0.01650 0.00210 0.00000 0.00000
SiT2 0.01750 0.01500 0.01420 0.00200 0.00000 0.00150
AlT2 0.01750 0.01500 0.01420 0.00200 0.00000 0.00150
CA 0.00560 0.00560 0.00870 0.00000 0.00000 0.00000
SA 0.00560 0.00560 0.00870 0.00000 0.00000 0.00000
O1 0.01910 0.01350 0.02150 0.00060 0.00000 0.00000
O2 0.01350 0.01850 0.02830 0.00490 0.00000 0.00000
O3 0.03990 0.01740 0.02190 0.00590 0.00640 0.00120
O4 0.02390 0.02020 0.03600 0.00280 0.00760 0.00420