#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9004681.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_9004681
_chemical_name 'Seamanite'
loop_
_publ_author_name
'Huminicki D M C'
'Hawthorne F C'
_journal_name_full "The Canadian Mineralogist"
_journal_volume 40
_journal_year 2002
_journal_page_first 923
_journal_page_last 928
_publ_section_title
;
 Hydrogen bonding in the crystal structure of seamanite
;
_chemical_formula_sum 'Mn3 P B O10 H6'
_cell_length_a 7.8231
_cell_length_b 15.1405
_cell_length_c 6.6999
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 793.574
_symmetry_space_group_name_H-M 'P b n m'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-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_Uiso_or_equiv
Mn(1)   0.27819   0.47584   0.25000   1.00000   0.01140
Mn(2)   0.35076   0.64067   0.50166   1.00000   0.01160
P   0.69328   0.55408   0.25000   1.00000   0.00720
B   0.00710   0.31510   0.25000   1.00000   0.01100
O(1)   0.46080   0.36880   0.25000   1.00000   0.01350
O(2)   0.18660   0.61620   0.25000   1.00000   0.01350
O(3)   0.03930   0.40940   0.25000   1.00000   0.01480
O(4)  -0.18460   0.30270   0.25000   1.00000   0.01210
O(5)   0.08120   0.27330   0.07340   1.00000   0.01590
O(6)   0.72440   0.49640   0.06460   1.00000   0.01790
O(7)   0.50400   0.58460   0.25000   1.00000   0.01360
O(8)   0.81100   0.63480   0.25000   1.00000   0.01290
H(1)   0.39900   0.31400   0.21800   0.50000   0.04360
H(2)   0.06100   6.62100   0.25000   1.00000   0.03910
H(3)  -0.04100   0.44600   0.32700   0.50000   0.04580
H(4)  -0.21600   0.24000   0.25000   1.00000   0.07130
H(5)   0.10100   0.31700  -0.03100   1.00000   0.05610