data_global
_chemical_name_mineral 'Ferrochiavennite'
loop_
_publ_author_name
'Grice J D'
'Kristiansen R'
'Friis H'
'Rowe R'
'Poirier G G'
'Selbekk R S'
'Cooper M A'
'Larsen A O'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 51 
_journal_year 2013
_journal_page_first 285
_journal_page_last 296
_publ_section_title
;
 Ferrochiavennite, a new beryllium silicate zeolite from syenite pegmatites
 in the Larvik Plutonic Complex, Oslo Region, Southern Norway
;
_database_code_amcsd 0019852
_chemical_compound_source 'Larvik Plutonic Complex, Oslo Region, Southern Norway'
_chemical_formula_sum 'Ca1.161 Fe.917 Si4.736 Be2.264 O17 H6'
_cell_length_a 8.7499
_cell_length_b 4.9160
_cell_length_c 31.431
_cell_angle_alpha 90
_cell_angle_beta 90.1574
_cell_angle_gamma 90
_cell_volume 1351.984
_exptl_crystal_density_diffrn      2.600
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-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_occupancy
_atom_site_U_iso_or_equiv
Ca1   0.74950   0.49960  -0.08735   1.00000   0.01490
Ca2   0.78900   0.40900   0.80190   0.05000   0.06200
Ca22   0.73090   0.49100   0.79980   0.11100   0.06200
Fe1   0.50000   0.50000   0.00000   0.93000   0.01150
Fe2   0.00000   0.50000   0.00000   0.90400   0.01100
Si1   0.75010   0.00040  -0.00143   0.95100   0.00800
Be1   0.75010   0.00040  -0.00143   0.04900   0.00800
Si2   0.41470   0.59250  -0.23247   0.92300   0.01050
Be2   0.41470   0.59250  -0.23247   0.07700   0.01050
Si22   0.08320   0.36620  -0.23206   0.94400   0.01220
Be22   0.08320   0.36620  -0.23206   0.05600   0.01220
Si3   0.14010   0.23530  -0.13453   0.96100   0.00980
Be3   0.14010   0.23530  -0.13453   0.03900   0.00980
Si33   0.35520   0.72300  -0.13537   0.95700   0.01040
Be33   0.35520   0.72300  -0.13537   0.04300   0.01040
Be4   0.50050   0.06960   0.05727   1.00000   0.01260
Be44   0.00080   0.92060   0.05699   1.00000   0.01060
O1   0.65220  -0.20360  -0.03284   1.00000   0.01110
O2   0.84610   0.20620  -0.03221   1.00000   0.01400
O3   0.86100  -0.18670   0.02756   1.00000   0.01180
O4   0.64040   0.18890   0.02808   1.00000   0.01420
O5   0.24950   0.47820  -0.24802   1.00000   0.02810
O6   0.45510   0.85140  -0.26271   1.00000   0.03010
O7   0.41620   0.68100  -0.18255   1.00000   0.03470
O8   0.05020   0.08320  -0.25742   1.00000   0.03730
O9   0.07950   0.32000  -0.18140   1.00000   0.03080
O10   0.00290   0.77790   0.10341   1.00000   0.01540
O11   0.21750   0.94230  -0.13682   1.00000   0.04760
O12   0.27250   0.44460  -0.11893   1.00000   0.03040
O13   0.49510   0.80290  -0.10544   1.00000   0.01800
O-h14   0.49100   0.74120   0.05822   1.00000   0.01350
O-h15   0.01840   0.25480   0.05819   1.00000   0.01740
OW16   0.84020   0.74500  -0.14989   1.00000   0.03810
OW17   0.65610   0.22310  -0.14540   1.00000   0.02590
H14   0.55600   0.69700   0.07000   1.00000   0.05000
H15  -0.05000   0.31300   0.07200   1.00000   0.05000
H161   0.78800   0.77600  -0.13900   1.00000   0.05000
H162   0.84500   0.72100  -0.17700   1.00000   0.05000
H171   0.55700   0.27300  -0.16600   1.00000   0.05000
H172   0.61400   0.07200  -0.14100   1.00000   0.05000
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
Ca1 0.02010 0.01160 0.01290 -0.00180 0.00100 -0.00020
Ca2 0.05300 0.10000 0.03200 -0.03100 -0.02400 -0.00400
Fe1 0.01620 0.00820 0.01020 -0.00240 0.00220 -0.00030
Fe2 0.01670 0.00660 0.00960 -0.00410 -0.00190 -0.00150
Si1 0.00920 0.00710 0.00770 -0.00340 0.00100 0.00010
Si2 0.01120 0.01150 0.00890 -0.00310 0.00440 -0.00110
Si22 0.01690 0.00890 0.01080 -0.00110 -0.00160 0.00180
Si3 0.00830 0.01150 0.00970 0.00240 -0.00100 -0.00060
Si33 0.01520 0.00920 0.00690 -0.00100 -0.00050 -0.00120
Be4 0.02000 0.00800 0.01000 -0.00900 0.00000 -0.00300
Be44 0.00700 0.01100 0.01300 0.00300 -0.00300 0.00000
O1 0.00680 0.01500 0.01100 0.00220 -0.00440 -0.00290
O2 0.02000 0.01000 0.01200 -0.00300 -0.00300 0.00360
O3 0.00820 0.01600 0.01100 -0.00150 0.00330 0.00280
O4 0.01900 0.00900 0.01400 -0.00200 0.00700 -0.00160
O5 0.03000 0.03400 0.02100 -0.00900 -0.00500 -0.00500
O6 0.03100 0.02200 0.03740 -0.00800 0.00000 0.00636
O7 0.03210 0.06100 0.01100 -0.00700 0.00200 -0.01200
O8 0.02600 0.03000 0.05600 -0.01300 -0.00800 -0.01600
O9 0.02000 0.05600 0.01600 -0.01100 -0.00200 0.01200
O10 0.01300 0.02100 0.01200 -0.00100 0.00250 0.00710
O11 0.02330 0.05400 0.06500 0.02300 -0.01000 -0.01942
O12 0.02700 0.03500 0.02900 -0.01500 -0.01000 0.01100
O13 0.02400 0.02300 0.00800 -0.01000 0.00300 -0.00300
O-h14 0.01500 0.00900 0.01600 -0.00200 -0.00100 0.00260
O-h15 0.01900 0.01800 0.01400 -0.00300 0.00700 -0.00400
OW16 0.06100 0.02700 0.02700 -0.00100 0.00900 0.00700
OW17 0.02600 0.03000 0.02200 -0.00600 -0.00700 -0.00341