#------------------------------------------------------------------------------
#$Date: 2008-03-10 10:25:41 +0200 (Mon, 10 Mar 2008) $
#$Revision: 255 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9000770.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_9000770
loop_
_publ_author_name
'Peacor D R'
_publ_section_title
;
 The crystal structure of kolicite, Mn7(OH)4[As2Zn4Si2O16(OH)4]
;
_journal_name_full               'American Mineralogist'
_journal_page_first              483
_journal_page_last               487
_journal_volume                  65
_journal_year                    1980
_chemical_formula_sum            'Mn7 As2 Zn4 Si2 O24 H8'
_chemical_name_mineral           Kolicite
_symmetry_space_group_name_H-M   'C m c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   18.590
_cell_length_b                   8.789
_cell_length_c                   12.040
_cell_volume                     1967.186
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,z
x,1/2-y,1/2+z
1/2+x,-y,1/2+z
-x,1/2+y,1/2-z
1/2-x,+y,1/2-z
-x,y,z
1/2-x,1/2+y,z
x,-y,-z
1/2+x,1/2-y,-z
x,1/2+y,1/2-z
1/2+x,+y,1/2-z
-x,1/2-y,1/2+z
1/2-x,-y,1/2+z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Mn1 0.00000 0.00000 0.00000
Mn2 0.17519 0.00000 0.00000
Mn3 0.08776 0.27390 0.13633
As 0.00000 0.63730 0.12816
Zn 0.16817 0.63219 0.13180
Si 0.25000 0.38470 0.25000
O1 0.00000 0.26680 0.99440
O2 0.07380 0.52440 0.13700
O3 0.25470 0.98650 0.13550
O4 0.00000 0.26100 0.26280
O5 0.17630 0.28400 0.25240
O-H1 0.16970 0.26640 0.00780
O-H2 0.08470 0.03320 0.11260
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
Mn1 0.01576 0.01526 0.01836 0.00000 0.00000 -0.00804
Mn2 0.01401 0.00783 0.01616 0.00000 0.00000 -0.00107
Mn3 0.01576 0.00744 0.01542 0.00000 0.00113 -0.00161
As 0.01576 0.00822 0.01395 0.00000 0.00000 -0.00107
Zn 0.01401 0.00704 0.01469 -0.00083 0.00000 0.00000
Si 0.01401 0.00039 0.01102 0.00000 0.00000 0.00000
O1 0.01401 0.00978 0.01983 0.00000 0.00000 0.00214
O2 0.01401 0.00430 0.02423 0.00083 0.00227 0.00322
O3 0.02101 0.00900 0.01836 -0.00083 0.00340 0.00643
O4 0.02101 0.01565 0.01689 0.00000 0.00000 0.00965
O5 0.02451 0.01565 0.01322 -0.00083 -0.00567 0.00751
OH1 0.02801 0.00900 0.01395 0.00248 0.00454 0.00161
OH2 0.02276 0.00078 0.02130 0.00000 0.00113 0.00214