data_34923-ICSD
#©2008 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of 
#Commerce on behalf of the United States.  All rights reserved.
_database_code_ICSD                34923
_audit_creation_date               1980/01/01
_audit_update_record               1997/11/10
_chemical_name_systematic          'Silicon Oxide'
_chemical_formula_structural       'Si O2'
_chemical_formula_sum              'O2 Si1'
_chemical_name_mineral             'Cristobalite high'
_publ_section_title
;
High-temperature single-crystal study of the cristobalite inversion
;
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, 
Kristallchemie (-144,1977)
;
 1973 138 274 298 ZEKGAX
_publ_author_name                  'Peacor, D.R.'
_cell_length_a                     7.166(2)
_cell_length_b                     7.166(2)
_cell_length_c                     7.166(2)
_cell_angle_alpha                  90.
_cell_angle_beta                   90.
_cell_angle_gamma                  90.
_cell_volume                       367.99
_cell_formula_units_Z              8
_symmetry_space_group_name_H-M     'F d -3 m Z'
_symmetry_Int_Tables_number        227
_refine_ls_R_factor_all            0.066
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1	'-z, y+3/4, x+3/4'
  2	'z+3/4, -y, x+3/4'
  3	'z+3/4, y+3/4, -x'
  4	'-z, -y, -x'
  5	'y+3/4, x+3/4, -z'
  6	'-y, x+3/4, z+3/4'
  7	'y+3/4, -x, z+3/4'
  8	'-y, -x, -z'
  9	'x+3/4, -z, y+3/4'
 10	'x+3/4, z+3/4, -y'
 11	'-x, z+3/4, y+3/4'
 12	'-x, -z, -y'
 13	'-z, x+3/4, y+3/4'
 14	'z+3/4, x+3/4, -y'
 15	'z+3/4, -x, y+3/4'
 16	'-z, -x, -y'
 17	'y+3/4, -z, x+3/4'
 18	'-y, z+3/4, x+3/4'
 19	'y+3/4, z+3/4, -x'
 20	'-y, -z, -x'
 21	'x+3/4, y+3/4, -z'
 22	'x+3/4, -y, z+3/4'
 23	'-x, y+3/4, z+3/4'
 24	'-x, -y, -z'
 25	'z, -y+1/4, -x+1/4'
 26	'-z+1/4, y, -x+1/4'
 27	'-z+1/4, -y+1/4, x'
 28	'z, y, x'
 29	'-y+1/4, -x+1/4, z'
 30	'y, -x+1/4, -z+1/4'
 31	'-y+1/4, x, -z+1/4'
 32	'y, x, z'
 33	'-x+1/4, z, -y+1/4'
 34	'-x+1/4, -z+1/4, y'
 35	'x, -z+1/4, -y+1/4'
 36	'x, z, y'
 37	'z, -x+1/4, -y+1/4'
 38	'-z+1/4, -x+1/4, y'
 39	'-z+1/4, x, -y+1/4'
 40	'z, x, y'
 41	'-y+1/4, z, -x+1/4'
 42	'y, -z+1/4, -x+1/4'
 43	'-y+1/4, -z+1/4, x'
 44	'y, z, x'
 45	'-x+1/4, -y+1/4, z'
 46	'-x+1/4, y, -z+1/4'
 47	'x, -y+1/4, -z+1/4'
 48	'x, y, z'
 49	'-z, y+1/4, x+1/4'
 50	'-z+1/2, y+3/4, x+1/4'
 51	'-z+1/2, y+1/4, x+3/4'
 52	'z+3/4, -y+1/2, x+1/4'
 53	'z+1/4, -y, x+1/4'
 54	'z+1/4, -y+1/2, x+3/4'
 55	'z+3/4, y+1/4, -x+1/2'
 56	'z+1/4, y+3/4, -x+1/2'
 57	'z+1/4, y+1/4, -x'
 58	'-z, -y+1/2, -x+1/2'
 59	'-z+1/2, -y, -x+1/2'
 60	'-z+1/2, -y+1/2, -x'
 61	'y+3/4, x+1/4, -z+1/2'
 62	'y+1/4, x+3/4, -z+1/2'
 63	'y+1/4, x+1/4, -z'
 64	'-y, x+1/4, z+1/4'
 65	'-y+1/2, x+3/4, z+1/4'
 66	'-y+1/2, x+1/4, z+3/4'
 67	'y+3/4, -x+1/2, z+1/4'
 68	'y+1/4, -x, z+1/4'
 69	'y+1/4, -x+1/2, z+3/4'
 70	'-y, -x+1/2, -z+1/2'
 71	'-y+1/2, -x, -z+1/2'
 72	'-y+1/2, -x+1/2, -z'
 73	'x+3/4, -z+1/2, y+1/4'
 74	'x+1/4, -z, y+1/4'
 75	'x+1/4, -z+1/2, y+3/4'
 76	'x+3/4, z+1/4, -y+1/2'
 77	'x+1/4, z+3/4, -y+1/2'
 78	'x+1/4, z+1/4, -y'
 79	'-x, z+1/4, y+1/4'
 80	'-x+1/2, z+3/4, y+1/4'
 81	'-x+1/2, z+1/4, y+3/4'
 82	'-x, -z+1/2, -y+1/2'
 83	'-x+1/2, -z, -y+1/2'
 84	'-x+1/2, -z+1/2, -y'
 85	'-z, x+1/4, y+1/4'
 86	'-z+1/2, x+3/4, y+1/4'
 87	'-z+1/2, x+1/4, y+3/4'
 88	'z+3/4, x+1/4, -y+1/2'
 89	'z+1/4, x+3/4, -y+1/2'
 90	'z+1/4, x+1/4, -y'
 91	'z+3/4, -x+1/2, y+1/4'
 92	'z+1/4, -x, y+1/4'
 93	'z+1/4, -x+1/2, y+3/4'
 94	'-z, -x+1/2, -y+1/2'
 95	'-z+1/2, -x, -y+1/2'
 96	'-z+1/2, -x+1/2, -y'
 97	'y+3/4, -z+1/2, x+1/4'
 98	'y+1/4, -z, x+1/4'
 99	'y+1/4, -z+1/2, x+3/4'
100	'-y, z+1/4, x+1/4'
101	'-y+1/2, z+3/4, x+1/4'
102	'-y+1/2, z+1/4, x+3/4'
103	'y+3/4, z+1/4, -x+1/2'
104	'y+1/4, z+3/4, -x+1/2'
105	'y+1/4, z+1/4, -x'
106	'-y, -z+1/2, -x+1/2'
107	'-y+1/2, -z, -x+1/2'
108	'-y+1/2, -z+1/2, -x'
109	'x+3/4, y+1/4, -z+1/2'
110	'x+1/4, y+3/4, -z+1/2'
111	'x+1/4, y+1/4, -z'
112	'x+3/4, -y+1/2, z+1/4'
113	'x+1/4, -y, z+1/4'
114	'x+1/4, -y+1/2, z+3/4'
115	'-x, y+1/4, z+1/4'
116	'-x+1/2, y+3/4, z+1/4'
117	'-x+1/2, y+1/4, z+3/4'
118	'-x, -y+1/2, -z+1/2'
119	'-x+1/2, -y, -z+1/2'
120	'-x+1/2, -y+1/2, -z'
121	'z, -y+3/4, -x+3/4'
122	'z+1/2, -y+1/4, -x+3/4'
123	'z+1/2, -y+3/4, -x+1/4'
124	'-z+1/4, y+1/2, -x+3/4'
125	'-z+3/4, y, -x+3/4'
126	'-z+3/4, y+1/2, -x+1/4'
127	'-z+1/4, -y+3/4, x+1/2'
128	'-z+3/4, -y+1/4, x+1/2'
129	'-z+3/4, -y+3/4, x'
130	'z, y+1/2, x+1/2'
131	'z+1/2, y, x+1/2'
132	'z+1/2, y+1/2, x'
133	'-y+1/4, -x+3/4, z+1/2'
134	'-y+3/4, -x+1/4, z+1/2'
135	'-y+3/4, -x+3/4, z'
136	'y, -x+3/4, -z+3/4'
137	'y+1/2, -x+1/4, -z+3/4'
138	'y+1/2, -x+3/4, -z+1/4'
139	'-y+1/4, x+1/2, -z+3/4'
140	'-y+3/4, x, -z+3/4'
141	'-y+3/4, x+1/2, -z+1/4'
142	'y, x+1/2, z+1/2'
143	'y+1/2, x, z+1/2'
144	'y+1/2, x+1/2, z'
145	'-x+1/4, z+1/2, -y+3/4'
146	'-x+3/4, z, -y+3/4'
147	'-x+3/4, z+1/2, -y+1/4'
148	'-x+1/4, -z+3/4, y+1/2'
149	'-x+3/4, -z+1/4, y+1/2'
150	'-x+3/4, -z+3/4, y'
151	'x, -z+3/4, -y+3/4'
152	'x+1/2, -z+1/4, -y+3/4'
153	'x+1/2, -z+3/4, -y+1/4'
154	'x, z+1/2, y+1/2'
155	'x+1/2, z, y+1/2'
156	'x+1/2, z+1/2, y'
157	'z, -x+3/4, -y+3/4'
158	'z+1/2, -x+1/4, -y+3/4'
159	'z+1/2, -x+3/4, -y+1/4'
160	'-z+1/4, -x+3/4, y+1/2'
161	'-z+3/4, -x+1/4, y+1/2'
162	'-z+3/4, -x+3/4, y'
163	'-z+1/4, x+1/2, -y+3/4'
164	'-z+3/4, x, -y+3/4'
165	'-z+3/4, x+1/2, -y+1/4'
166	'z, x+1/2, y+1/2'
167	'z+1/2, x, y+1/2'
168	'z+1/2, x+1/2, y'
169	'-y+1/4, z+1/2, -x+3/4'
170	'-y+3/4, z, -x+3/4'
171	'-y+3/4, z+1/2, -x+1/4'
172	'y, -z+3/4, -x+3/4'
173	'y+1/2, -z+1/4, -x+3/4'
174	'y+1/2, -z+3/4, -x+1/4'
175	'-y+1/4, -z+3/4, x+1/2'
176	'-y+3/4, -z+1/4, x+1/2'
177	'-y+3/4, -z+3/4, x'
178	'y, z+1/2, x+1/2'
179	'y+1/2, z, x+1/2'
180	'y+1/2, z+1/2, x'
181	'-x+1/4, -y+3/4, z+1/2'
182	'-x+3/4, -y+1/4, z+1/2'
183	'-x+3/4, -y+3/4, z'
184	'-x+1/4, y+1/2, -z+3/4'
185	'-x+3/4, y, -z+3/4'
186	'-x+3/4, y+1/2, -z+1/4'
187	'x, -y+3/4, -z+3/4'
188	'x+1/2, -y+1/4, -z+3/4'
189	'x+1/2, -y+3/4, -z+1/4'
190	'x, y+1/2, z+1/2'
191	'x+1/2, y, z+1/2'
192	'x+1/2, y+1/2, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
O2-	-2
Si4+	4
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
Si1 Si4+ 8 a 0.125 0.125 0.125 1. 0 
O1 O2- 96 h 0 0.0444(11) 0.9556(11) 0.167 0 

#End of data_34923-ICSD


