data_9005263
_chemical_name 'Chiavennite'
loop_
_publ_author_name
'Tazzoli V'
'Domeneghetti M C'
'Mazzi F'
'Cannillo E'
_journal_name_full "European Journal of Mineralogy"
_journal_volume 7
_journal_year 1995
_journal_page_first 1339
_journal_page_last 1334
_publ_section_title
;
 The crystal structure of chiavennite
;
_chemical_formula_sum 'Ca Mn Be2 Si5 O17 H6'
_cell_length_a 8.729
_cell_length_b 31.326
_cell_length_c 4.903
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1340.699
_symmetry_space_group_name_H-M 'P n a b'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,-y,z'
  '1/2-x,y,-z'
  'x,1/2+y,1/2-z'
  '-x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_Uiso_or_equiv
Ca   0.25000   0.08790   0.00000   0.01830
Mn   0.00000   0.00000   0.00000   0.01520
Be  -0.00030   0.05720  -0.42980   0.00900
Si1   0.25000   0.00130   0.50000   0.01240
Si2   0.58380   0.23220   0.10470   0.01850
Si3   0.14250  -0.13510   0.24360   0.01940
O1   0.13920  -0.02790   0.31340   0.01550
O2   0.15170   0.03240  -0.29570   0.01530
O3   0.04140   0.23910   0.13470   0.04090
O4   0.25000  -0.24780   0.00000   0.02850
O5   0.25000  -0.11870   0.00000   0.07730
O6   0.25000  -0.13870   0.50000   0.10490
O7   0.08000  -0.18240   0.17730   0.03420
O8   0.00050  -0.10440   0.29050   0.02070
O-H   0.01250   0.05810   0.24300   0.02070
Wat   0.15810   0.14740   0.26020   0.03710