#------------------------------------------------------------------------------
#$Date: 2008-03-04 19:28:24 +0200 (Tue, 04 Mar 2008) $
#$Revision: 225 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9004037.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_9004037
_chemical_name 'Chivruaiite'
loop_
_publ_author_name
'Men’shikov Y P'
'Krivovichev S V'
'Pakhomovsky Y A'
'Yakovenchuk V N'
'Ivanyuk G Yu'
'Mikhailova J A'
'Armbruster T'
'Selivanova E A'
_journal_name_full "American Mineralogist"
_journal_volume 91
_journal_year 2006
_journal_page_first 922
_journal_page_last 928
_publ_section_title
;
 Chivruaiite, Ca4(Ti,Nb)5[(Si6O17)2|(OH,O)5]·13-14H2O, a new mineral
 from hydrothermal veins of Khibiny and Lovozero alkaline massifs
 Locality: Chivruai River valley, Kola peninsula, Russia
;
_chemical_formula_sum 
'Ca.775 Sr.05 Mn.1 K.05 Ba.025 Ti1.03 Nb.22 Si3 O12.73 H15'
_cell_length_a 7.1918
_cell_length_b 23.166
_cell_length_c 6.9472
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1157.440
_symmetry_space_group_name_H-M 'C m m m'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-z'
  '-x,y,z'
  '1/2-x,1/2+y,z'
  'x,-y,-z'
  '1/2+x,1/2-y,-z'
  'x,y,-z'
  '1/2+x,1/2+y,-z'
  '-x,-y,z'
  '1/2-x,1/2-y,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
_atom_site_occupancy
_atom_site_Uiso_or_equiv
Ca1   0.00000   0.13883   0.21450   0.35000   0.03200
Sr1   0.00000   0.13883   0.21450   0.02500   0.03200
Mn2   0.25000   0.25000   0.50000   0.10000   0.02400
Ca2   0.25000   0.25000   0.50000   0.07500   0.02400
K  -0.85600   0.50000   0.50000   0.05000   0.12000
Ba  -0.85600   0.50000   0.50000   0.02500   0.12000
Ti1   0.25000   0.25000   0.00000   0.78000   0.01720
Nb1   0.25000   0.25000   0.00000   0.22000   0.01720
Ti2  -0.50000   0.50000   0.03190   0.25000   0.02000
Si1   0.00000   0.33852   0.27054   1.00000   0.01430
Si2   0.09620   0.43567   0.00000   0.50000   0.01550
O1   0.00000   0.50000   0.00000   1.00000   0.02350
O2   0.00000   0.34540   0.50000   1.00000   0.03510
O3   0.00000   0.21976   0.00000   0.69600   0.01920
O-H3   0.00000   0.21976   0.00000   0.30400   0.01920
O4   0.18510   0.30653   0.20090   1.00000   0.03410
O5   0.00000   0.40438   0.18930   1.00000   0.03500
Wat6   0.00000   0.19860   0.50000   1.00000   0.07200
O7   0.31790   0.43870   0.04200   0.25000   0.02400
Wat8  -0.50000   0.50000   0.41400   0.30000   0.06400
O9  -0.50000   0.50000   0.26700   0.17400   0.04200
O-H9  -0.50000   0.50000   0.26700   0.07600   0.04200
Wat10   0.00000   0.50000   0.50000   0.34000   0.13000
Wat11  -0.50000   0.57830   0.50000   0.29000   0.08000
Wat12   0.41300   0.41100   0.00000   0.12000   0.08000
Wat13  -0.34000   0.56860   0.42500   0.19000   0.08000
Wat14   0.00000   0.09900   0.16600   0.11000   0.08000