data_global
_chemical_name_mineral 'Uvite'
loop_
_publ_author_name
'Taylor M C'
'Cooper M A'
'Hawthorne F C'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 33 
_journal_year 1995
_journal_page_first 1215
_journal_page_last 1221
_publ_section_title
;
 Local charge-compensation in hydroxyl-deficient uvite
;
_database_code_amcsd 0005475
_chemical_compound_source 'East Africa'
_chemical_formula_sum 'Ca.43 Na.4 Mg2.49 Al6.45 Cr.06 Si6 B3 O31 H3.31'
_cell_length_a 15.917
_cell_length_b 15.917
_cell_length_c 7.189
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1577.326
_exptl_crystal_density_diffrn      3.046
_symmetry_space_group_name_H-M 'R 3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '2/3+x,1/3+y,1/3+z'
  '1/3+x,2/3+y,2/3+z'
  'x,x-y,z'
  '2/3+x,1/3+x-y,1/3+z'
  '1/3+x,2/3+x-y,2/3+z'
  '-y,-x,z'
  '2/3-y,1/3-x,1/3+z'
  '1/3-y,2/3-x,2/3+z'
  '-x+y,y,z'
  '2/3-x+y,1/3+y,1/3+z'
  '1/3-x+y,2/3+y,2/3+z'
  '-y,x-y,z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  '-x+y,-x,z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-x+y,2/3-x,2/3+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
CaX   0.00000   0.00000   0.84080   0.43000 ?
NaX   0.00000   0.00000   0.84080   0.40000 ?
MgY   0.06148   0.93852   0.42690   0.57000 ?
AlY   0.06148   0.93852   0.42690   0.43000 ?
AlZ   0.26126   0.29749   0.45340   0.86000 ?
MgZ   0.26126   0.29749   0.45340   0.13000 ?
CrZ   0.26126   0.29749   0.45340   0.01000 ?
Si   0.18986   0.19175   0.06400   1.00000 ?
B   0.89040   0.10960   0.61130   1.00000 ?
O1   0.00000   0.00000   0.29290   0.69000 ?
O-H1   0.00000   0.00000   0.29290   0.31000 ?
O2   0.93958   0.06042   0.57950   1.00000 ?
O3   0.13052   0.86948   0.55380   1.00000 ?
H3   0.12640   0.87360   0.68760   1.00000   0.03000
O4   0.90697   0.09303  -0.00870   1.00000 ?
O5   0.09146   0.90854  -0.02920   1.00000 ?
O6   0.18417   0.19430   0.28740   1.00000 ?
O7   0.28499   0.28554  -0.01370   1.00000 ?
O8   0.26962   0.20899   0.62490   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
CaX 0.01780 0.01780 0.02040 0.00890 0.00000 0.00000
NaX 0.01780 0.01780 0.02040 0.00890 0.00000 0.00000
MgY 0.00480 0.00480 0.00900 0.00150 0.00180 -0.00180
AlY 0.00480 0.00480 0.00900 0.00150 0.00180 -0.00180
AlZ 0.00740 0.00730 0.00570 0.00370 -0.00050 0.00010
MgZ 0.00740 0.00730 0.00570 0.00370 -0.00050 0.00010
CrZ 0.00740 0.00730 0.00570 0.00370 -0.00050 0.00010
Si 0.00570 0.00580 0.00520 0.00270 0.00080 0.00050
B 0.00790 0.00790 0.00580 0.00350 0.00030 -0.00030
O1 0.01290 0.01290 0.00850 0.00650 0.00000 0.00000
O-H1 0.01290 0.01290 0.00850 0.00650 0.00000 0.00000
O2 0.01290 0.01290 0.01580 0.00930 -0.00010 0.00010
O3 0.01540 0.01540 0.00430 0.00080 -0.00020 0.00020
O4 0.00980 0.00980 0.01050 0.00060 -0.00110 0.00110
O5 0.00940 0.00940 0.01050 0.00080 -0.00040 0.00040
O6 0.01140 0.01190 0.00630 0.00660 0.00200 0.00110
O7 0.00810 0.00920 0.00860 0.00200 0.00120 0.00170
O8 0.00990 0.00650 0.01470 0.00400 -0.00190 -0.00060