#------------------------------------------------------------------------------
#$Date: 2008-03-10 10:25:41 +0200 (Mon, 10 Mar 2008) $
#$Revision: 255 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009256.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_9009256
loop_
_publ_author_name
'Basso R'
'Giusta A D'
_publ_section_title
;
 The crystal structure of a new manganese silicate
 Locality: Liguria, Italy
;
_journal_name_full
'Neues Jahrbuch fur Mineralogie, Abhandlungen'
_journal_page_first              332
_journal_page_last               342
_journal_volume                  138
_journal_year                    1980
_chemical_formula_sum            'Na2.291 Mn10 Si11 V O38 H2'
_chemical_name_mineral           Saneroite
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                92.70
_cell_angle_beta                 117.11
_cell_angle_gamma                105.30
_cell_length_a                   9.741
_cell_length_b                   9.974
_cell_length_c                   9.108
_cell_volume                     745.192
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-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
Na1 0.50000 0.00000 0.50000 0.94100 0.03483
Na2 0.18910 0.53360 0.44270 0.67500 0.02166
Mn1 0.74360 0.98040 0.29480 1.00000 0.01545
Mn2 0.99750 0.21320 0.22160 1.00000 0.01241
Mn3 0.86210 0.88790 0.02940 1.00000 0.01115
Mn4 0.57370 0.66770 0.09870 1.00000 0.01127
Mn5 0.71710 0.55420 0.85320 1.00000 0.01482
Si1 0.87460 0.27570 0.82560 1.00000 0.01127
Si2 0.03080 0.23900 0.60990 1.00000 0.00975
Si3 0.20660 0.54910 0.77410 1.00000 0.01077
Si4 0.47590 0.75740 0.73000 1.00000 0.01140
Si5 0.61950 0.07820 0.89600 1.00000 0.01039
Si6 0.60410 0.71240 0.48150 0.50000 0.00899
V6 0.60410 0.71240 0.48150 0.50000 0.00899
O1 0.70580 0.16510 0.79570 1.00000 0.01672
O2 0.88550 0.22800 0.65830 1.00000 0.01621
O3 0.10910 0.40950 0.62080 1.00000 0.01494
O4 0.30120 0.66930 0.70760 1.00000 0.01621
O5 0.49730 0.92670 0.75430 1.00000 0.01596
O6 0.46330 0.71280 0.54830 1.00000 0.01849
O7 0.85600 0.43350 0.82380 1.00000 0.01494
O8 0.96460 0.72460 0.00790 1.00000 0.01381
O9 0.95340 0.15420 0.42380 1.00000 0.01507
O10 0.82780 0.81250 0.24630 1.00000 0.01254
O11 0.07920 0.60500 0.80360 1.00000 0.01608
O12 0.66540 0.49210 0.05930 1.00000 0.01305
O13 0.37690 0.27660 0.11860 1.00000 0.01241
O14 0.49660 0.14880 0.91010 1.00000 0.01469
O15 0.24140 0.94850 0.93610 1.00000 0.01368
O16 0.68340 0.87790 0.47490 1.00000 0.01659
O17 0.51790 0.60410 0.29780 1.00000 0.01469
O18 0.25620 0.34670 0.36960 1.00000 0.01710
O-h19 0.08970 0.05100 0.17390 1.00000 0.01494
H 0.84630 0.96490 0.72470 1.00000 0.03293
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
Na1 0.06491 0.03789 0.02563 0.03376 0.03044 0.01635
Na2 0.02972 0.02255 0.01409 0.00550 0.01389 0.00000
Mn1 0.01469 0.01218 0.01602 0.00157 0.00695 -0.00304
Mn2 0.01401 0.01083 0.01313 0.00314 0.00761 0.00038
Mn3 0.01230 0.00992 0.01217 0.00353 0.00728 -0.00038
Mn4 0.01093 0.00902 0.01281 0.00275 0.00595 -0.00076
Mn5 0.01742 0.01218 0.01794 0.00432 0.01125 0.00038
Si1 0.01162 0.01083 0.01345 0.00353 0.00794 0.00228
Si2 0.01127 0.00947 0.00801 0.00275 0.00529 0.00076
Si3 0.01127 0.00947 0.01281 0.00236 0.00728 0.00152
Si4 0.01230 0.00902 0.01185 0.00196 0.00629 0.00228
Si5 0.00991 0.01037 0.01185 0.00275 0.00662 0.00152
Si6 0.00957 0.00857 0.00833 0.00118 0.00529 -0.00114
V6 0.00957 0.00857 0.00833 0.00118 0.00529 -0.00114
O1 0.01708 0.01669 0.01890 0.00314 0.01191 0.00570
O2 0.01708 0.02165 0.01409 0.00589 0.01092 0.00380
O3 0.02016 0.01263 0.00993 0.00393 0.00662 0.00038
O4 0.01367 0.01714 0.01826 0.00314 0.00926 0.00456
O5 0.01947 0.01083 0.01602 0.00353 0.00794 0.00152
O6 0.01811 0.02255 0.01313 0.00432 0.00761 0.00038
O7 0.01742 0.01128 0.02242 0.00707 0.01356 0.00418
O8 0.01367 0.01398 0.01217 0.00432 0.00562 -0.00114
O9 0.01606 0.01443 0.01153 0.00314 0.00562 -0.00190
O10 0.01401 0.01173 0.01057 0.00471 0.00463 0.00152
O11 0.01777 0.01263 0.02370 0.00667 0.01389 0.00418
O12 0.01298 0.01263 0.01217 0.00314 0.00562 -0.00038
O13 0.01367 0.01128 0.01217 0.00432 0.00595 0.00076
O14 0.01606 0.01218 0.01858 0.00707 0.00926 0.00228
O15 0.01572 0.01398 0.01089 0.00550 0.00562 0.00000
O16 0.01742 0.00992 0.01730 0.00079 0.00662 0.00076
O17 0.01777 0.01353 0.01217 0.00236 0.00860 -0.00076
O18 0.01742 0.01579 0.01922 0.00864 0.00827 0.00532
Oh19 0.01367 0.01534 0.01121 0.00314 0.00331 -0.00114